# command:# Seed set to 1273682698 # command:# Prefix for input files set to # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading dunbrack-2191.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 53157 examples # computed average trans backbone unit before proline from 2010 examples # computed average cis backbone unit from 97 examples # trans (non-proline) backbone unit: # CA= -2.2087 1.0126 -0.0030 # O= -0.1499 2.2440 0.0016 # C= -0.6889 1.1368 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 0.0000 0.0000 # cis backbone unit: # CA= -0.1436 2.4534 -0.0002 # O= -2.0284 0.9742 0.0015 # C= -0.8018 1.0771 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4668 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2100 1.0631 -0.0014 # O= -0.1236 2.2458 0.0075 # C= -0.6872 1.1517 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading dunbrack-2191.atoms have 2191 chains in training database # Count of chains,residues,atoms: 2191,500310,3902258 # 493441 residues have no bad marker # 3226 residues lack atoms needed to compute omega # 1453 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 4 # HAS_OXT 1167 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 3052 # HAS_UNKNOWN_ATOMS 9 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 979 # NON_PLANAR_PEPTIDE 55 # BAD_PEPTIDE 2680 # HIGH_B_FACTOR 0 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-2191.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:# Reading spots from near-backbone-center.spot # reading histogram from smoothed-near-backbone-2spot.hist # Reading spots from near-backbone-count.spot # created burial cost function near_backbone with radius 9.6500 with spots at near-backbone-center.spot counting only near-backbone-count.spot # command:# Reading spots from way-back-center.spot # reading histogram from smoothed-way-back-2spot.hist # Reading spots from way-back-count.spot # created burial cost function way_back with radius 8.9000 with spots at way-back-center.spot counting only way-back-count.spot # command:# Reading spots from monomeric-50pc-dry-5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5.0000 with spots at monomeric-50pc-dry-5.spot # command:# Reading spots from monomeric-50pc-wet-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5000 with spots at monomeric-50pc-wet-6.5.spot # command:# Reading spots from monomeric-50pc-dry-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5000 with spots at monomeric-50pc-dry-6.5.spot # command:# Reading spots from monomeric-50pc-generic-6.5.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5000 with spots at monomeric-50pc-generic-6.5.spot # command:# Reading spots from monomeric-50pc-dry-8.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8.0000 with spots at monomeric-50pc-dry-8.spot # command:# Reading spots from monomeric-50pc-dry-10.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10.0000 with spots at monomeric-50pc-dry-10.spot # command:# Reading spots from monomeric-50pc-dry-12.spot Read prototypes from /projects/compbio/experiments/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12.0000 with spots at monomeric-50pc-dry-12.spot # command:# reading histogram from dunbrack-2191-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # command:# reading histogram from dunbrack-2191-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins # command:CPU_time= 24.236 sec, elapsed time= 24.831 sec. # command:# Prefix for input files set to # command:# Making conformation for sequence T0532 numbered 1 through 506 Created new target T0532 from T0532.upper-only.a2m # command:# command:# No conformations to remove in PopConform # command:# Prefix for input files set to /projects/compbio/lib/alphabet/ # command:# Read 4 alphabets, 0 BackgroundProbs, and 0 FeatureCondFeatureCostFcns from alpha.alphabet # command:# Prefix for input files set to # command:# reading script from file try1.costfcn # warning: unable to find combined neural net named T0532.t2k.alpha.rdb for CreatePredAlphaCost attempting to open a file with that name instead # created predicted alpha cost function pred_alpha2k with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # warning: unable to find combined neural net named T0532.t04.alpha.rdb for CreatePredAlphaCost attempting to open a file with that name instead # created predicted alpha cost function pred_alpha04 with 360 bins smoothing outer_iter=2 inner_iter=1 width=7 # SetCost created cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # reading script from file T0532.dssp-ehl2.constraints # HelixConstraint # Added 41 helix constraints for (T0532)R3 through (T0532)A18 to constraints # HelixConstraint # Added 28 helix constraints for (T0532)V36 through (T0532)I49 to constraints # HelixConstraint # Added 35 helix constraints for (T0532)S85 through (T0532)E101 to constraints # HelixConstraint # Added 61 helix constraints for (T0532)N109 through (T0532)E129 to constraints # HelixConstraint # Added 51 helix constraints for (T0532)Q153 through (T0532)L170 to constraints # HelixConstraint # Added 56 helix constraints for (T0532)I187 through (T0532)L205 to constraints # HelixConstraint # Added 31 helix constraints for (T0532)S210 through (T0532)I223 to constraints # StrandConstraint Warning: can't construct Strand constraints for (T0532)M230 and (T0532)E231 as there are no CA atoms with usable spacing # StrandConstraint Warning: can't construct Strand constraints for (T0532)Q238 and (T0532)M239 as there are no CA atoms with usable spacing # HelixConstraint # Added 5 helix constraints for (T0532)T266 through (T0532)K271 to constraints # HelixConstraint # Added 31 helix constraints for (T0532)G344 through (T0532)R358 to constraints # HelixConstraint # Added 31 helix constraints for (T0532)A365 through (T0532)E378 to constraints # HelixConstraint # Added 41 helix constraints for (T0532)K416 through (T0532)S431 to constraints # HelixConstraint # Added 5 helix constraints for (T0532)Y440 through (T0532)R445 to constraints # HelixConstraint # Added 1 helix constraints for (T0532)E476 through (T0532)S477 to constraints # HelixConstraint # Added 19 helix constraints for (T0532)L481 through (T0532)Q491 to constraints # StrandConstraint Warning: can't construct Strand constraints for (T0532)M502 and (T0532)W503 as there are no CA atoms with usable spacing # reading script from file T0532.undertaker-align.sheets # SheetConstraint # Warning: strands too close on chain: (T0532)E476--(T0532)D478 (T0532)K474--(T0532)E476 # Added 14 sheet constraints for (T0532)E476--(T0532)D478 (T0532)K474--(T0532)E476 with (T0532)E476 of first strand Hbonded to constraints # SheetConstraint # Added 5 sheet constraints for (T0532)N236--(T0532)L237 (T0532)G344--(T0532)L343 with (T0532)L237 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)P339--(T0532)R342 (T0532)K240--(T0532)L237 with (T0532)V340 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)R330--(T0532)D333 (T0532)P286--(T0532)Y283 with (T0532)Y331 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)R222--(T0532)V224 (T0532)F220--(T0532)R222 # Added 14 sheet constraints for (T0532)R222--(T0532)V224 (T0532)F220--(T0532)R222 with (T0532)R222 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)E62--(T0532)K66 (T0532)F58--(T0532)E62 # Added 28 sheet constraints for (T0532)E62--(T0532)K66 (T0532)F58--(T0532)E62 with (T0532)E62 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)E62--(T0532)K66 (T0532)F58--(T0532)E62 # Added 28 sheet constraints for (T0532)E62--(T0532)K66 (T0532)F58--(T0532)E62 with (T0532)L63 of first strand Hbonded to constraints # SheetConstraint # Added 5 sheet constraints for (T0532)N236--(T0532)L237 (T0532)G344--(T0532)L343 with (T0532)L237 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)P339--(T0532)R342 (T0532)K240--(T0532)L237 with (T0532)V340 of first strand Hbonded to constraints # SheetConstraint # Added 12 sheet constraints for (T0532)Y331--(T0532)D333 (T0532)K285--(T0532)Y283 with (T0532)Y331 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)F327--(T0532)A329 (T0532)S325--(T0532)F327 # Added 13 sheet constraints for (T0532)F327--(T0532)A329 (T0532)S325--(T0532)F327 with (T0532)F327 of first strand Hbonded to constraints # SheetConstraint # Added 14 sheet constraints for (T0532)L264--(T0532)T266 (T0532)Q314--(T0532)E316 with (T0532)L264 of first strand Hbonded to constraints # SheetConstraint # Added 12 sheet constraints for (T0532)A245--(T0532)T247 (T0532)A242--(T0532)K240 with (T0532)A245 of first strand Hbonded to constraints # SheetConstraint # Added 10 sheet constraints for (T0532)D132--(T0532)P134 (T0532)T152--(T0532)Y150 with (T0532)L133 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)E476--(T0532)N480 (T0532)K474--(T0532)D478 # Added 28 sheet constraints for (T0532)E476--(T0532)N480 (T0532)K474--(T0532)D478 with (T0532)E476 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)S477--(T0532)Y479 (T0532)S475--(T0532)S477 # Added 14 sheet constraints for (T0532)S477--(T0532)Y479 (T0532)S475--(T0532)S477 with (T0532)S477 of first strand Hbonded to constraints # SheetConstraint # Added 5 sheet constraints for (T0532)N236--(T0532)L237 (T0532)G344--(T0532)L343 with (T0532)L237 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)P339--(T0532)R342 (T0532)K240--(T0532)L237 with (T0532)V340 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)R330--(T0532)D333 (T0532)P286--(T0532)Y283 with (T0532)Y331 of first strand Hbonded to constraints # SheetConstraint # Added 14 sheet constraints for (T0532)L264--(T0532)T266 (T0532)D301--(T0532)Y303 with (T0532)L264 of first strand Hbonded to constraints # SheetConstraint # Added 29 sheet constraints for (T0532)P286--(T0532)L291 (T0532)S299--(T0532)G294 with (T0532)A287 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)T256--(T0532)A259 (T0532)H252--(T0532)N255 # Added 20 sheet constraints for (T0532)T256--(T0532)A259 (T0532)H252--(T0532)N255 with (T0532)T256 of first strand Hbonded to constraints # SheetConstraint # Added 10 sheet constraints for (T0532)D132--(T0532)P134 (T0532)T152--(T0532)Y150 with (T0532)L133 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)A138--(T0532)Q140 (T0532)E136--(T0532)A138 # Added 14 sheet constraints for (T0532)A138--(T0532)Q140 (T0532)E136--(T0532)A138 with (T0532)A138 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)F58--(T0532)Y60 (T0532)K56--(T0532)F58 # Added 14 sheet constraints for (T0532)F58--(T0532)Y60 (T0532)K56--(T0532)F58 with (T0532)F58 of first strand Hbonded to constraints # SheetConstraint # Added 10 sheet constraints for (T0532)P449--(T0532)L451 (T0532)M462--(T0532)N460 with (T0532)V450 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)R374--(T0532)H376 (T0532)K370--(T0532)A372 # Added 14 sheet constraints for (T0532)R374--(T0532)H376 (T0532)K370--(T0532)A372 with (T0532)R374 of first strand Hbonded to constraints # SheetConstraint # Added 23 sheet constraints for (T0532)A318--(T0532)E322 (T0532)P286--(T0532)Y282 with (T0532)A318 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)F281--(T0532)Y283 (T0532)R279--(T0532)F281 # Added 14 sheet constraints for (T0532)F281--(T0532)Y283 (T0532)R279--(T0532)F281 with (T0532)F281 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)A262--(T0532)S265 (T0532)W70--(T0532)Q67 with (T0532)M263 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 # Added 20 sheet constraints for (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 with (T0532)K217 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 # Added 14 sheet constraints for (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 with (T0532)V216 of first strand Hbonded to constraints # SheetConstraint # Added 15 sheet constraints for (T0532)N460--(T0532)N463 (T0532)P452--(T0532)P449 with (T0532)T461 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)F432--(T0532)Q434 (T0532)A430--(T0532)F432 # Added 14 sheet constraints for (T0532)F432--(T0532)Q434 (T0532)A430--(T0532)F432 with (T0532)F432 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 # Added 14 sheet constraints for (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 with (T0532)I373 of first strand Hbonded to constraints # SheetConstraint # Added 5 sheet constraints for (T0532)A245--(T0532)N246 (T0532)G337--(T0532)S336 with (T0532)A245 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)Y319--(T0532)E322 (T0532)P286--(T0532)Y283 with (T0532)A320 of first strand Hbonded to constraints # SheetConstraint # Added 11 sheet constraints for (T0532)G294--(T0532)T296 (T0532)L291--(T0532)A289 with (T0532)G294 of first strand Hbonded to constraints # SheetConstraint # Added 23 sheet constraints for (T0532)Y261--(T0532)S265 (T0532)G71--(T0532)Q67 with (T0532)Y261 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 # Added 20 sheet constraints for (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 with (T0532)K217 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 # Added 14 sheet constraints for (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 with (T0532)V216 of first strand Hbonded to constraints # SheetConstraint # Added 10 sheet constraints for (T0532)D132--(T0532)P134 (T0532)T152--(T0532)Y150 with (T0532)L133 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)D61--(T0532)A65 (T0532)I59--(T0532)L63 # Added 28 sheet constraints for (T0532)D61--(T0532)A65 (T0532)I59--(T0532)L63 with (T0532)D61 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)E62--(T0532)L64 (T0532)Y60--(T0532)E62 # Added 14 sheet constraints for (T0532)E62--(T0532)L64 (T0532)Y60--(T0532)E62 with (T0532)E62 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I373--(T0532)H376 (T0532)Y369--(T0532)A372 # Added 20 sheet constraints for (T0532)I373--(T0532)H376 (T0532)Y369--(T0532)A372 with (T0532)R374 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 # Added 14 sheet constraints for (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 with (T0532)I373 of first strand Hbonded to constraints # SheetConstraint # Added 6 sheet constraints for (T0532)M239--(T0532)K240 (T0532)S336--(T0532)P335 with (T0532)M239 of first strand Hbonded to constraints # SheetConstraint # Added 9 sheet constraints for (T0532)A284--(T0532)P286 (T0532)G305--(T0532)Y303 with (T0532)K285 of first strand Hbonded to constraints # SheetConstraint # Added 6 sheet constraints for (T0532)K288--(T0532)A289 (T0532)D298--(T0532)A297 with (T0532)A289 of first strand Hbonded to constraints # SheetConstraint # Added 23 sheet constraints for (T0532)Y261--(T0532)S265 (T0532)G71--(T0532)Q67 with (T0532)Y261 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)D235--(T0532)L237 (T0532)N233--(T0532)D235 # Added 14 sheet constraints for (T0532)D235--(T0532)L237 (T0532)N233--(T0532)D235 with (T0532)D235 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)D48--(T0532)T50 (T0532)L46--(T0532)D48 # Added 14 sheet constraints for (T0532)D48--(T0532)T50 (T0532)L46--(T0532)D48 with (T0532)D48 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)D496--(T0532)N499 (T0532)G494--(T0532)D497 # Added 19 sheet constraints for (T0532)D496--(T0532)N499 (T0532)G494--(T0532)D497 with (T0532)D497 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)A487--(T0532)R490 (T0532)N480--(T0532)H483 # Added 20 sheet constraints for (T0532)A487--(T0532)R490 (T0532)N480--(T0532)H483 with (T0532)L488 of first strand Hbonded to constraints # SheetConstraint # Added 5 sheet constraints for (T0532)N236--(T0532)L237 (T0532)G344--(T0532)L343 with (T0532)L237 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)P339--(T0532)R342 (T0532)K240--(T0532)L237 with (T0532)V340 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)N328--(T0532)Y331 (T0532)P286--(T0532)Y283 with (T0532)A329 of first strand Hbonded to constraints # SheetConstraint # Added 14 sheet constraints for (T0532)L264--(T0532)T266 (T0532)Q314--(T0532)E316 with (T0532)L264 of first strand Hbonded to constraints # SheetConstraint # Added 6 sheet constraints for (T0532)K288--(T0532)A289 (T0532)E293--(T0532)N292 with (T0532)A289 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)M280--(T0532)Y282 (T0532)I278--(T0532)M280 # Added 14 sheet constraints for (T0532)M280--(T0532)Y282 (T0532)I278--(T0532)M280 with (T0532)M280 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)E218 (T0532)A212--(T0532)L214 # Added 14 sheet constraints for (T0532)V216--(T0532)E218 (T0532)A212--(T0532)L214 with (T0532)V216 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)S206--(T0532)K208 (T0532)H204--(T0532)S206 # Added 14 sheet constraints for (T0532)S206--(T0532)K208 (T0532)H204--(T0532)S206 with (T0532)S206 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)N80--(T0532)G83 (T0532)Q78--(T0532)V81 # Added 19 sheet constraints for (T0532)N80--(T0532)G83 (T0532)Q78--(T0532)V81 with (T0532)V81 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)S52--(T0532)K56 (T0532)D48--(T0532)S52 # Added 28 sheet constraints for (T0532)S52--(T0532)K56 (T0532)D48--(T0532)S52 with (T0532)S53 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I373--(T0532)H376 (T0532)Y369--(T0532)A372 # Added 20 sheet constraints for (T0532)I373--(T0532)H376 (T0532)Y369--(T0532)A372 with (T0532)R374 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 # Added 14 sheet constraints for (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 with (T0532)I373 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)Y319--(T0532)E322 (T0532)A284--(T0532)F281 with (T0532)A320 of first strand Hbonded to constraints # SheetConstraint # Added 5 sheet constraints for (T0532)K290--(T0532)L291 (T0532)V295--(T0532)G294 with (T0532)L291 of first strand Hbonded to constraints # SheetConstraint # Added 23 sheet constraints for (T0532)Y261--(T0532)S265 (T0532)G71--(T0532)Q67 with (T0532)Y261 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)D235--(T0532)L237 (T0532)N233--(T0532)D235 # Added 14 sheet constraints for (T0532)D235--(T0532)L237 (T0532)N233--(T0532)D235 with (T0532)D235 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I223--(T0532)A225 (T0532)A221--(T0532)I223 # Added 14 sheet constraints for (T0532)I223--(T0532)A225 (T0532)A221--(T0532)I223 with (T0532)I223 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 # Added 20 sheet constraints for (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 with (T0532)K217 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 # Added 14 sheet constraints for (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 with (T0532)V216 of first strand Hbonded to constraints # SheetConstraint # Added 10 sheet constraints for (T0532)D132--(T0532)P134 (T0532)T152--(T0532)Y150 with (T0532)L133 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)L45--(T0532)L47 (T0532)T43--(T0532)L45 # Added 13 sheet constraints for (T0532)L45--(T0532)L47 (T0532)T43--(T0532)L45 with (T0532)L45 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I373--(T0532)H376 (T0532)Y369--(T0532)A372 # Added 20 sheet constraints for (T0532)I373--(T0532)H376 (T0532)Y369--(T0532)A372 with (T0532)R374 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 # Added 14 sheet constraints for (T0532)I373--(T0532)A375 (T0532)Y369--(T0532)K371 with (T0532)I373 of first strand Hbonded to constraints # SheetConstraint # Added 16 sheet constraints for (T0532)Y319--(T0532)E322 (T0532)A284--(T0532)F281 with (T0532)A320 of first strand Hbonded to constraints # SheetConstraint # Added 14 sheet constraints for (T0532)E316--(T0532)A318 (T0532)A302--(T0532)I304 with (T0532)E316 of first strand Hbonded to constraints # SheetConstraint # Added 15 sheet constraints for (T0532)M68--(T0532)G71 (T0532)L264--(T0532)Y261 with (T0532)A69 of first strand Hbonded to constraints # SheetConstraint # Added 15 sheet constraints for (T0532)Y319--(T0532)E322 (T0532)D307--(T0532)I304 with (T0532)A320 of first strand Hbonded to constraints # SheetConstraint # Added 15 sheet constraints for (T0532)M68--(T0532)G71 (T0532)L264--(T0532)Y261 with (T0532)A69 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 # Added 20 sheet constraints for (T0532)V216--(T0532)R219 (T0532)K208--(T0532)D211 with (T0532)K217 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 # Added 14 sheet constraints for (T0532)V216--(T0532)E218 (T0532)K208--(T0532)S210 with (T0532)V216 of first strand Hbonded to constraints # SheetConstraint # Warning: strands too close on chain: (T0532)L183--(T0532)G185 (T0532)P181--(T0532)L183 # Added 12 sheet constraints for (T0532)L183--(T0532)G185 (T0532)P181--(T0532)L183 with (T0532)L183 of first strand Hbonded to constraints # reading script from file rr.constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.922 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.915 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.907 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.906 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.901 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.899 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.895 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.894 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.893 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.888 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.887 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.886 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.886 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.884 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.883 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.883 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.883 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.882 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.882 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.881 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.881 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.880 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.878 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.878 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.878 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.877 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.873 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.873 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.872 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.872 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.872 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.872 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.871 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.871 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.870 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.869 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.869 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.869 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.868 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.867 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.867 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.866 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.866 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.866 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.866 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.865 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.865 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.865 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.864 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.864 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.864 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.864 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.864 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.863 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.863 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.863 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.862 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.862 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.862 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.862 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.862 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.862 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.862 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.861 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.861 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.861 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.861 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.860 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.859 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.859 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.859 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.859 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.859 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.859 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.858 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.858 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.857 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.857 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)N151.CB) [> -10.000 = 7.000 < 14.000] w=0.857 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.856 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.856 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.856 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.855 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.855 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.855 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.855 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.855 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.854 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.854 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.854 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.854 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.854 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.854 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.854 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.853 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.853 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.853 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.852 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.852 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.851 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.851 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.850 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.850 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.850 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.850 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.850 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.849 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.849 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.849 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.848 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.848 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.848 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.847 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.847 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.847 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.847 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.847 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.846 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.846 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)Y448.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.845 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.844 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.844 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.844 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.844 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.844 to constraints # Constraint # added constraint: constraint((T0532)Y168.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.844 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.843 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.843 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.843 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.842 to constraints # Constraint # added constraint: constraint((T0532)Y440.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.842 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.842 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.842 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.842 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.841 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.841 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.841 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.841 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.841 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.841 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.840 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.840 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.840 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.840 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.839 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.838 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.837 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.837 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.837 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.837 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.836 to constraints # Constraint # added constraint: constraint((T0532)L451.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.835 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.834 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.834 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.833 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.833 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.833 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)A346.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.832 to constraints # Constraint # added constraint: constraint((T0532)V450.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.831 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.830 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.830 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.830 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.830 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.829 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.829 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.829 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.829 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.829 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.829 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.828 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.828 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.828 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.828 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.828 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.827 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.827 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.827 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.827 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.826 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y282.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)L451.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.825 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.824 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.824 to constraints # Constraint # added constraint: constraint((T0532)Y168.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.824 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.824 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.823 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.823 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.823 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.823 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.822 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.822 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.822 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.822 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.822 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.822 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.822 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.821 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.821 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.821 to constraints # Constraint # added constraint: constraint((T0532)T92.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.821 to constraints # Constraint # added constraint: constraint((T0532)D132.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.821 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.821 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)V340.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.820 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.819 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.819 to constraints # Constraint # added constraint: constraint((T0532)D442.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.819 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.819 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.819 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.819 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)G184.CA) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)Y111.CB) [> -10.000 = 7.000 < 14.000] w=0.818 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)D442.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.817 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)Y440.CB, (T0532)V450.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.816 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.815 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.815 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.815 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.815 to constraints # Constraint # added constraint: constraint((T0532)D442.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.815 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.815 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.815 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.814 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.814 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.814 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.814 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.814 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.813 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.812 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.811 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.810 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.810 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.810 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)N151.CB) [> -10.000 = 7.000 < 14.000] w=0.809 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.808 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.807 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.807 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.807 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.807 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.807 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.807 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.807 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.806 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.806 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.806 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.806 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.806 to constraints # Constraint # added constraint: constraint((T0532)D132.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.806 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.806 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)V103.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.805 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.804 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.803 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.803 to constraints # Constraint # added constraint: constraint((T0532)R444.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.803 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.803 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.803 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.803 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.803 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.802 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.801 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.801 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.801 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)K189.CB) [> -10.000 = 7.000 < 14.000] w=0.801 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.801 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.801 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.800 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.799 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.799 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.799 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.799 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)Y441.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.798 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.797 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.797 to constraints # Constraint # added constraint: constraint((T0532)Y168.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.797 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.796 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.796 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.796 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.796 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.796 to constraints # Constraint # added constraint: constraint((T0532)L451.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.796 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.796 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)M471.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)E137.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.795 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.794 to constraints # Constraint # added constraint: constraint((T0532)I8.CB, (T0532)L17.CB) [> -10.000 = 7.000 < 14.000] w=0.794 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.794 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.794 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.794 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.793 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.793 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.793 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.793 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)Y448.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.792 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y60.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.791 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)A346.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.790 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)Y448.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)Y441.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)N463.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.789 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)I187.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.788 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)L451.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)K217.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)I420.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.787 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)L63.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)D442.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.786 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)K189.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)K217.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.785 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)Q484.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.784 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.783 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.783 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.783 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.783 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.783 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)L63.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)K217.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.782 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)H116.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.781 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.780 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.780 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.780 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)I187.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.779 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)Y448.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.778 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.777 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.776 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.775 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)V340.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)S188.CB) [> -10.000 = 7.000 < 14.000] w=0.774 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)E165.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)D163.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.773 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)K66.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)Y440.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)P148.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.772 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)V108.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)S172.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.771 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.770 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.770 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.770 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.770 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.770 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)V341.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)H116.CB, (T0532)L170.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)Q484.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.769 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.768 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.767 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.767 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.767 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.767 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.767 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.767 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.767 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)P148.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)Y448.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.766 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)G184.CA, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)K370.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.765 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)Y440.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)Y60.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)G113.CA, (T0532)L170.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.764 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)L139.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)M471.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.763 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)Y60.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.762 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.761 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)H116.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)Y7.CB, (T0532)L17.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)D132.CB, (T0532)T152.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)G184.CA, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.760 to constraints # Constraint # added constraint: constraint((T0532)D180.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)K207.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)V108.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.759 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)G359.CA, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.758 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)S210.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)P467.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.757 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.756 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.755 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.755 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.755 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.755 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.755 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.755 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.755 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.754 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.754 to constraints # Constraint # added constraint: constraint((T0532)D132.CB, (T0532)N151.CB) [> -10.000 = 7.000 < 14.000] w=0.754 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)I59.CB) [> -10.000 = 7.000 < 14.000] w=0.754 to constraints # Constraint # added constraint: constraint((T0532)S265.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)L139.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.753 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)K217.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.752 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)T461.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.751 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)Y368.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)M68.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.750 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)I278.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)D31.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.749 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.748 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.747 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Y60.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.746 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.745 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)G305.CA) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.744 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)M267.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)S265.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.743 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.742 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.742 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.742 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.742 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.742 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.742 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)M267.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)D442.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)D112.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)V389.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.741 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Q67.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)K217.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.740 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)M471.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.739 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.738 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)A13.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.737 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.736 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.735 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)G44.CA) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.734 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)R444.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)I380.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)F58.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)M280.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)G184.CA, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.733 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)M68.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)Y441.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)G359.CA, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)M471.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.732 to constraints # Constraint # added constraint: constraint((T0532)D163.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)G305.CA, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.731 to constraints # Constraint # added constraint: constraint((T0532)D31.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)N463.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)K371.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.730 to constraints # Constraint # added constraint: constraint((T0532)A13.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.729 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)R222.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)R444.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.728 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)I420.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.727 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.726 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)V108.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)E137.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)I49.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)D180.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.725 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)Y441.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)M471.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)T321.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.724 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y90.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)K217.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.723 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.722 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)S431.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)A346.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.721 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)R444.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)G447.CA, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.720 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)Q434.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L64.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)T321.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)Y111.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.719 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)W470.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)Y111.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.718 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)E129.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)M68.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.717 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.716 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.716 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A65.CB) [> -10.000 = 7.000 < 14.000] w=0.716 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.716 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.716 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)A365.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.715 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.714 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)P467.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)M267.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)T321.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.713 to constraints # Constraint # added constraint: constraint((T0532)D163.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.712 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.711 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)K285.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)P148.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.710 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)W360.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.709 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)L63.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)I380.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.708 to constraints # Constraint # added constraint: constraint((T0532)I187.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)G141.CA, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.707 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)G363.CA, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.706 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.705 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y111.CB) [> -10.000 = 7.000 < 14.000] w=0.704 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)E338.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.703 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)Y125.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)L451.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.702 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)H116.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)D163.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)Y111.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.701 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)G113.CA, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)Y111.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.700 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L291.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)L63.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)G141.CA, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.699 to constraints # Constraint # added constraint: constraint((T0532)A13.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)K273.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)E137.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)L12.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.698 to constraints # Constraint # added constraint: constraint((T0532)I380.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)L63.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.697 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)R219.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)L429.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)D442.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.696 to constraints # Constraint # added constraint: constraint((T0532)D442.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)T266.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.695 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)G131.CA, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.694 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)D277.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)V341.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.693 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)M68.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)R444.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)L63.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.692 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)P467.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.691 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)N95.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)V340.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.690 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)E209.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.689 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)T34.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)P148.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M263.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)I361.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.688 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L63.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)N485.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)N151.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.687 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)S188.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)V389.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.686 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.685 to constraints # Constraint # added constraint: constraint((T0532)L63.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.685 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.685 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.685 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.685 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.685 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.685 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.684 to constraints # Constraint # added constraint: constraint((T0532)Y368.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.683 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)W360.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)Y60.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)F492.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.682 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)P467.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)D132.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.681 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)S265.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.680 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)Y368.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.679 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)I59.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Q97.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.678 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)A409.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)Y440.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)S188.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.677 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)D132.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)T28.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.676 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.675 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.675 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.675 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.675 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.675 to constraints # Constraint # added constraint: constraint((T0532)A13.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.675 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.675 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.674 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.674 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.674 to constraints # Constraint # added constraint: constraint((T0532)L139.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.674 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.674 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)G184.CA) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)H116.CB, (T0532)T166.CB) [> -10.000 = 7.000 < 14.000] w=0.673 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)M468.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.672 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)L63.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)L139.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Y111.CB) [> -10.000 = 7.000 < 14.000] w=0.671 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.670 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.670 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.670 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.670 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.670 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.670 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)Y324.CB) [> -10.000 = 7.000 < 14.000] w=0.670 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)I401.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.669 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)E155.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.668 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.667 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M130.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)M130.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)T28.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)E137.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.666 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)N236.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)K189.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Y324.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)F87.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.665 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)Y60.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)L139.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)I361.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)A320.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.664 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)S57.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.663 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)Y319.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.662 to constraints # Constraint # added constraint: constraint((T0532)A318.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)A318.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.661 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.660 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.660 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.660 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.660 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.660 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.660 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.660 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)A221.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)I49.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.659 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)D277.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)N151.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)N485.CB) [> -10.000 = 7.000 < 14.000] w=0.658 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)T275.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)K217.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)A365.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.657 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.656 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.656 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.656 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.656 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.656 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.656 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.656 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)P452.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.655 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)G113.CA) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)K217.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)D163.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)E129.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)I49.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)Q97.CB) [> -10.000 = 7.000 < 14.000] w=0.654 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)D61.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.653 to constraints # Constraint # added constraint: constraint((T0532)K370.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)I278.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)L488.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)L12.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.652 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)M433.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.651 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.650 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)D364.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)S265.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)L12.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.649 to constraints # Constraint # added constraint: constraint((T0532)Y111.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.648 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)K217.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)G113.CA, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.647 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.646 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)I8.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.645 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)S265.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)G113.CA) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)Y111.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.644 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)Y168.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.643 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)I49.CB) [> -10.000 = 7.000 < 14.000] w=0.642 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)A138.CB) [> -10.000 = 7.000 < 14.000] w=0.642 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.642 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.642 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.642 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.642 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)M267.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Y303.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)M267.CB) [> -10.000 = 7.000 < 14.000] w=0.641 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)K217.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)N27.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)L139.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.640 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)A138.CB) [> -10.000 = 7.000 < 14.000] w=0.639 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.639 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.639 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.639 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.639 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.639 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.639 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)T275.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.638 to constraints # Constraint # added constraint: constraint((T0532)E137.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)R445.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)M471.CB, (T0532)N485.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.637 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)D364.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.636 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)F379.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)T92.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.635 to constraints # Constraint # added constraint: constraint((T0532)I4.CB, (T0532)A15.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)A346.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)L16.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.634 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.633 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.633 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.633 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.633 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.633 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.633 to constraints # Constraint # added constraint: constraint((T0532)Y168.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.633 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)Y168.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)T28.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)K189.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.632 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A274.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)Q484.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)S431.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)Q491.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.631 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)T266.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)T275.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)K66.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.630 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)L139.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.629 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)V450.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)T275.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.628 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)S477.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.627 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)L429.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.626 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)F87.CB, (T0532)P134.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.625 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)A138.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)S477.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.624 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)I94.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)I278.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)E137.CB, (T0532)N151.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)A346.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)T321.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)T425.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.623 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.622 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)I26.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)I187.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)R444.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)D163.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.621 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)T43.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)S9.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)G359.CA, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.620 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)R445.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)F379.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.619 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.618 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)M68.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)T33.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)P148.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.617 to constraints # Constraint # added constraint: constraint((T0532)D31.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)L10.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)R444.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.616 to constraints # Constraint # added constraint: constraint((T0532)N236.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.615 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)Y319.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)K35.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)A262.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.614 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)I278.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)I420.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)E338.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)L11.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.613 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.612 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.612 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.612 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.612 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.612 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.612 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)L11.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.611 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A318.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)W360.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)L451.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)A138.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.610 to constraints # Constraint # added constraint: constraint((T0532)A487.CB, (T0532)D496.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)L139.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.609 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)L429.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)F87.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)E129.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.608 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)F87.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)G447.CA, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.607 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)I361.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.606 to constraints # Constraint # added constraint: constraint((T0532)M280.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.605 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.605 to constraints # Constraint # added constraint: constraint((T0532)M468.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.605 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.604 to constraints # Constraint # added constraint: constraint((T0532)K207.CB, (T0532)M263.CB) [> -10.000 = 7.000 < 14.000] w=0.604 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.604 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.604 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.604 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.604 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)R445.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)P30.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)I49.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)M130.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.603 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.602 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.602 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.602 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.602 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.602 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)L63.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)T37.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)K66.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)L11.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)F23.CB, (T0532)Y60.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)F87.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.601 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.600 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)V389.CB) [> -10.000 = 7.000 < 14.000] w=0.600 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.600 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.600 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)V146.CB) [> -10.000 = 7.000 < 14.000] w=0.600 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)D211.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)S210.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.599 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)P134.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)R445.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)Y448.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.598 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)Y368.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)I504.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.597 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)H116.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.596 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)A69.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.595 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)M130.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)V340.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.594 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)E62.CB) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)F379.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.593 to constraints # Constraint # added constraint: constraint((T0532)S9.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.592 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.592 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.592 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.592 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.592 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.592 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.592 to constraints # Constraint # added constraint: constraint((T0532)R219.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)P452.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)I187.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.591 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)I4.CB, (T0532)A13.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.590 to constraints # Constraint # added constraint: constraint((T0532)R427.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)A262.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)E137.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.589 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.588 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.588 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.588 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.588 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.587 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)M68.CB) [> -10.000 = 7.000 < 14.000] w=0.587 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.587 to constraints # Constraint # added constraint: constraint((T0532)I26.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.587 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.586 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)A372.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)N485.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)R222.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.585 to constraints # Constraint # added constraint: constraint((T0532)I8.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)S325.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)A212.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.584 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)S265.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)A221.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.583 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)G305.CA, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)Y319.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.582 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)T152.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)T33.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)M468.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)I26.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.581 to constraints # Constraint # added constraint: constraint((T0532)N236.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.580 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)T321.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)D132.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)P148.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)I380.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.579 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)A13.CB, (T0532)I49.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)S9.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.578 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)A138.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)P250.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)K66.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.577 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)P449.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.576 to constraints # Constraint # added constraint: constraint((T0532)D438.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)M263.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)S325.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.575 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)S51.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)T425.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)Y261.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.574 to constraints # Constraint # added constraint: constraint((T0532)S265.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)Q491.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.573 to constraints # Constraint # added constraint: constraint((T0532)S477.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.572 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.572 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.572 to constraints # Constraint # added constraint: constraint((T0532)N236.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.572 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.572 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)S431.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)W503.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.571 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)I380.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.570 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)L10.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)V340.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)L139.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)D180.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)Y283.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)V341.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.569 to constraints # Constraint # added constraint: constraint((T0532)P467.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)Y448.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)F197.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)L16.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)E62.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.568 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)S382.CB) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.567 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)M68.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)V357.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)M280.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)I4.CB, (T0532)L17.CB) [> -10.000 = 7.000 < 14.000] w=0.566 to constraints # Constraint # added constraint: constraint((T0532)S366.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)Y60.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)Y60.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.565 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.564 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.564 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.564 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.564 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.564 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.564 to constraints # Constraint # added constraint: constraint((T0532)W360.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.563 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.563 to constraints # Constraint # added constraint: constraint((T0532)K422.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.563 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.563 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.563 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)E347.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)L12.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)K422.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.562 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)T28.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)M280.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)A356.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.561 to constraints # Constraint # added constraint: constraint((T0532)F379.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.560 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.560 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.560 to constraints # Constraint # added constraint: constraint((T0532)R469.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.560 to constraints # Constraint # added constraint: constraint((T0532)K273.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.560 to constraints # Constraint # added constraint: constraint((T0532)L343.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.560 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)V389.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)E137.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)Y121.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.559 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)S9.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)M68.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)L16.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)F87.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)Y111.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.558 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)Y368.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)M130.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.557 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.556 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.556 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.556 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.556 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)I94.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)L429.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)S431.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A262.CB) [> -10.000 = 7.000 < 14.000] w=0.555 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.554 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.554 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.554 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.554 to constraints # Constraint # added constraint: constraint((T0532)L63.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.554 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)T275.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)I8.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)V36.CB) [> -10.000 = 7.000 < 14.000] w=0.553 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)Y428.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)Q434.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)S38.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)L451.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)E137.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.552 to constraints # Constraint # added constraint: constraint((T0532)S431.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)L429.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)W470.CB, (T0532)V498.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)H116.CB) [> -10.000 = 7.000 < 14.000] w=0.551 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)T28.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)G185.CA) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.550 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.549 to constraints # Constraint # added constraint: constraint((T0532)M128.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.549 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.549 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.549 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.549 to constraints # Constraint # added constraint: constraint((T0532)N463.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.549 to constraints # Constraint # added constraint: constraint((T0532)Q348.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.549 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.548 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.548 to constraints # Constraint # added constraint: constraint((T0532)L16.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.548 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.547 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.547 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.547 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.547 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)A262.CB) [> -10.000 = 7.000 < 14.000] w=0.547 to constraints # Constraint # added constraint: constraint((T0532)W360.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.547 to constraints # Constraint # added constraint: constraint((T0532)G359.CA, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.546 to constraints # Constraint # added constraint: constraint((T0532)P473.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.546 to constraints # Constraint # added constraint: constraint((T0532)Y368.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.546 to constraints # Constraint # added constraint: constraint((T0532)I401.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.546 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.546 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)T425.CB) [> -10.000 = 7.000 < 14.000] w=0.546 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.546 to constraints # Constraint # added constraint: constraint((T0532)T446.CB, (T0532)N463.CB) [> -10.000 = 7.000 < 14.000] w=0.545 to constraints # Constraint # added constraint: constraint((T0532)Q323.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.545 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.545 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.545 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.544 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)F82.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)I423.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)L429.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)T275.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.543 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)V156.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.542 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.541 to constraints # Constraint # added constraint: constraint((T0532)I410.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)S172.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)M468.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)A262.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)I278.CB, (T0532)G305.CA) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)F87.CB, (T0532)K189.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)L63.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.540 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M68.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)A409.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)D132.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.539 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)E129.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)L429.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)A409.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)I187.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.538 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)L11.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)A138.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)Y111.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)I123.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)L12.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)T28.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)I420.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)R342.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)I49.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)G359.CA, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.537 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)Y319.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)V100.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)G359.CA, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.536 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)I278.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)D112.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)I410.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)A284.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.535 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)G359.CA, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)V341.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)S186.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)Y60.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)L466.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)S206.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)L114.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.534 to constraints # Constraint # added constraint: constraint((T0532)L352.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)Q426.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)F23.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)E354.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)M230.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)F23.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)V100.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.533 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)Y282.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)H376.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.532 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.531 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.531 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)T425.CB) [> -10.000 = 7.000 < 14.000] w=0.531 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.531 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.531 to constraints # Constraint # added constraint: constraint((T0532)I223.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.530 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.530 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.530 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)I361.CB) [> -10.000 = 7.000 < 14.000] w=0.530 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.530 to constraints # Constraint # added constraint: constraint((T0532)M157.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.530 to constraints # Constraint # added constraint: constraint((T0532)S362.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)T14.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)A13.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.529 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)Y111.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)Y125.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)L41.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)F23.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)V100.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A32.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)F171.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.528 to constraints # Constraint # added constraint: constraint((T0532)V439.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.527 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.527 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.527 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)A375.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)K422.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)M280.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)G141.CA, (T0532)N151.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.526 to constraints # Constraint # added constraint: constraint((T0532)D180.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)S325.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)V224.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)L64.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)A15.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.525 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)V498.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)T33.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)F432.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)L229.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.524 to constraints # Constraint # added constraint: constraint((T0532)Y443.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.523 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.523 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.523 to constraints # Constraint # added constraint: constraint((T0532)F159.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.523 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.523 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.523 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.523 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)A96.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)N349.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)K200.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)K288.CB, (T0532)A318.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)I8.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)D132.CB) [> -10.000 = 7.000 < 14.000] w=0.522 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)R358.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)V340.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)Y369.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)L183.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)S172.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.521 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.520 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.520 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.520 to constraints # Constraint # added constraint: constraint((T0532)Y368.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.520 to constraints # Constraint # added constraint: constraint((T0532)T266.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.520 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.520 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.520 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)S382.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)A32.CB, (T0532)Q97.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)S172.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)F272.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)I361.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.519 to constraints # Constraint # added constraint: constraint((T0532)Y345.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.518 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.518 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.518 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.518 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.518 to constraints # Constraint # added constraint: constraint((T0532)P30.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.518 to constraints # Constraint # added constraint: constraint((T0532)Y7.CB, (T0532)L45.CB) [> -10.000 = 7.000 < 14.000] w=0.518 to constraints # Constraint # added constraint: constraint((T0532)K122.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.517 to constraints # Constraint # added constraint: constraint((T0532)A430.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.516 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.516 to constraints # Constraint # added constraint: constraint((T0532)Y303.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.516 to constraints # Constraint # added constraint: constraint((T0532)I420.CB, (T0532)Q434.CB) [> -10.000 = 7.000 < 14.000] w=0.516 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.516 to constraints # Constraint # added constraint: constraint((T0532)D180.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.516 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.516 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.515 to constraints # Constraint # added constraint: constraint((T0532)F220.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.515 to constraints # Constraint # added constraint: constraint((T0532)K271.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.515 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.515 to constraints # Constraint # added constraint: constraint((T0532)L268.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.515 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.515 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)T407.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)A167.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)I373.CB, (T0532)I420.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)L202.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)L45.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)A138.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)Y111.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.514 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.513 to constraints # Constraint # added constraint: constraint((T0532)F23.CB, (T0532)L41.CB) [> -10.000 = 7.000 < 14.000] w=0.513 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.513 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.513 to constraints # Constraint # added constraint: constraint((T0532)A355.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.512 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.512 to constraints # Constraint # added constraint: constraint((T0532)Y324.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.512 to constraints # Constraint # added constraint: constraint((T0532)R279.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.512 to constraints # Constraint # added constraint: constraint((T0532)E136.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.512 to constraints # Constraint # added constraint: constraint((T0532)K119.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.512 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.512 to constraints # Constraint # added constraint: constraint((T0532)L199.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)A353.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)L46.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)L264.CB, (T0532)K288.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)G344.CA, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)I26.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)G260.CA, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)E129.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)T425.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)P134.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.511 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)M433.CB) [> -10.000 = 7.000 < 14.000] w=0.510 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.510 to constraints # Constraint # added constraint: constraint((T0532)Q153.CB, (T0532)G305.CA) [> -10.000 = 7.000 < 14.000] w=0.510 to constraints # Constraint # added constraint: constraint((T0532)N151.CB, (T0532)L205.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)Y90.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)M68.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)I269.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)F379.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)T266.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)L164.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.509 to constraints # Constraint # added constraint: constraint((T0532)A120.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)D419.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)S127.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)F124.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)L237.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.508 to constraints # Constraint # added constraint: constraint((T0532)H204.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.507 to constraints # Constraint # added constraint: constraint((T0532)T266.CB, (T0532)K288.CB) [> -10.000 = 7.000 < 14.000] w=0.507 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.507 to constraints # Constraint # added constraint: constraint((T0532)I182.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.507 to constraints # Constraint # added constraint: constraint((T0532)N27.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.507 to constraints # Constraint # added constraint: constraint((T0532)Q198.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)T194.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)T195.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)N236.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)Q97.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)N236.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)M99.CB, (T0532)E129.CB) [> -10.000 = 7.000 < 14.000] w=0.506 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.505 to constraints # Constraint # added constraint: constraint((T0532)N236.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.505 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.505 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.505 to constraints # Constraint # added constraint: constraint((T0532)L205.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.505 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.505 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.505 to constraints # Constraint # added constraint: constraint((T0532)C20.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)Y150.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)K208.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)I160.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)V201.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)M130.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)L17.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.504 to constraints # Constraint # added constraint: constraint((T0532)A193.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)A196.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)F350.CB, (T0532)S362.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)I118.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)L93.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)N233.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)L424.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)Y472.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)V103.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)S19.CB, (T0532)M130.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)M126.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)K207.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.503 to constraints # Constraint # added constraint: constraint((T0532)A42.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)Y135.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)L133.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)M377.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)L161.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)M203.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)P339.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)H435.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)F117.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)A115.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.502 to constraints # Constraint # added constraint: constraint((T0532)V216.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)Q67.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)K192.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)K66.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)R445.CB, (T0532)W503.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)L10.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)W190.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)K285.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.501 to constraints # Constraint # added constraint: constraint((T0532)I351.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.500 to constraints # Constraint # added constraint: bonus constraint((T0532)M126.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.500 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.500 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.500 to constraints # Constraint # added constraint: bonus constraint((T0532)E347.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.500 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.499 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.499 to constraints # Constraint # added constraint: bonus constraint((T0532)E354.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.499 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.499 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.499 to constraints # Constraint # added constraint: bonus constraint((T0532)V224.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.499 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.499 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)V439.CB, (T0532)Q484.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)V439.CB, (T0532)Q491.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)Y324.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)Y369.CB, (T0532)E378.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.498 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.497 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.497 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.497 to constraints # Constraint # added constraint: bonus constraint((T0532)L424.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.497 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.497 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.497 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.497 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)K273.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)M267.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)D419.CB, (T0532)L429.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)T321.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)V340.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.496 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)Y111.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)I49.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)P148.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)M126.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)L45.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.495 to constraints # Constraint # added constraint: bonus constraint((T0532)N349.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)K122.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)K66.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)K271.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)F124.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)L133.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)D180.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)R358.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)T425.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.494 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)M280.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)L45.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)L183.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)K200.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)N27.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)P148.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)G141.CA, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)A274.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)W360.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.493 to constraints # Constraint # added constraint: bonus constraint((T0532)Q323.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)G113.CA, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)I94.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)L133.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)L183.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)G113.CA, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.492 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)T194.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)F272.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)I182.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)Y368.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)A96.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)Y283.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)L352.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)A262.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)I423.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)R427.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)R444.CB, (T0532)W503.CB) [> -10.000 = 7.000 < 14.000] w=0.491 to constraints # Constraint # added constraint: bonus constraint((T0532)A13.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)Y261.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)F159.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)S265.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)N349.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)Q411.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)Q140.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)R219.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.490 to constraints # Constraint # added constraint: bonus constraint((T0532)L133.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.489 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.489 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.489 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.489 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.489 to constraints # Constraint # added constraint: bonus constraint((T0532)T14.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.488 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.488 to constraints # Constraint # added constraint: bonus constraint((T0532)G131.CA, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.488 to constraints # Constraint # added constraint: bonus constraint((T0532)I361.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)Y369.CB, (T0532)A381.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)I351.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)D29.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)D442.CB, (T0532)Q484.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)T33.CB, (T0532)K66.CB) [> -10.000 = 7.000 < 14.000] w=0.487 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)A115.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)Q67.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)I420.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.486 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)G113.CA, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)A356.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.485 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)I373.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)R374.CB) [> -10.000 = 7.000 < 14.000] w=0.484 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.483 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.483 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.483 to constraints # Constraint # added constraint: bonus constraint((T0532)K422.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.483 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.483 to constraints # Constraint # added constraint: bonus constraint((T0532)H376.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.482 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.482 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.482 to constraints # Constraint # added constraint: bonus constraint((T0532)A96.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)E354.CB, (T0532)M433.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)F197.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.481 to constraints # Constraint # added constraint: bonus constraint((T0532)A430.CB, (T0532)I453.CB) [> -10.000 = 7.000 < 14.000] w=0.480 to constraints # Constraint # added constraint: bonus constraint((T0532)F124.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.480 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)D31.CB) [> -10.000 = 7.000 < 14.000] w=0.480 to constraints # Constraint # added constraint: bonus constraint((T0532)Q426.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.480 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.480 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.479 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.479 to constraints # Constraint # added constraint: bonus constraint((T0532)N151.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.479 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.479 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.479 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.479 to constraints # Constraint # added constraint: bonus constraint((T0532)H204.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)S206.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)W470.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)L343.CB, (T0532)V389.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)G305.CA, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)W470.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)L133.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)M68.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.478 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)S265.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)K217.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)G113.CA, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)F197.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)L352.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)P134.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.477 to constraints # Constraint # added constraint: bonus constraint((T0532)L16.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.476 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.476 to constraints # Constraint # added constraint: bonus constraint((T0532)G344.CA, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.476 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.476 to constraints # Constraint # added constraint: bonus constraint((T0532)Y168.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.476 to constraints # Constraint # added constraint: bonus constraint((T0532)G344.CA, (T0532)A375.CB) [> -10.000 = 7.000 < 14.000] w=0.476 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.476 to constraints # Constraint # added constraint: bonus constraint((T0532)T425.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)I59.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)T14.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)A430.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)H376.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.475 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)S210.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)I373.CB, (T0532)L429.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)F220.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)V439.CB, (T0532)W503.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)A13.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)R358.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)P148.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)V216.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)E338.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)G344.CA, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.474 to constraints # Constraint # added constraint: bonus constraint((T0532)M126.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.473 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.473 to constraints # Constraint # added constraint: bonus constraint((T0532)I380.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.473 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.473 to constraints # Constraint # added constraint: bonus constraint((T0532)Y319.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.473 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)T425.CB) [> -10.000 = 7.000 < 14.000] w=0.473 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)L343.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)L64.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)Y121.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)F379.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)Q411.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.472 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)V103.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)I410.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)N27.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)M280.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.471 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)L63.CB, (T0532)V100.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)Q97.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)Q67.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)Q67.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)A430.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)T194.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)A96.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)P408.CB) [> -10.000 = 7.000 < 14.000] w=0.470 to constraints # Constraint # added constraint: bonus constraint((T0532)Q434.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.469 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.469 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.469 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.469 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)Y90.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)K370.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)E421.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)I182.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)L429.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)Y121.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)K122.CB) [> -10.000 = 7.000 < 14.000] w=0.468 to constraints # Constraint # added constraint: bonus constraint((T0532)M126.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)P134.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)Y121.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)H376.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)G86.CA) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)D438.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)S206.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)A355.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)F379.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)I8.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.467 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)N349.CB, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)K207.CB, (T0532)Y368.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)I187.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)P148.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)F124.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.466 to constraints # Constraint # added constraint: bonus constraint((T0532)K66.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)R219.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)T321.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)S52.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)Q434.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)T275.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)V224.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)A320.CB) [> -10.000 = 7.000 < 14.000] w=0.465 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)M230.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)A13.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)I94.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)F159.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)K273.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)P473.CB, (T0532)D496.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)T14.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.464 to constraints # Constraint # added constraint: bonus constraint((T0532)F379.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)L268.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)N236.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)I361.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)S366.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)L183.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.463 to constraints # Constraint # added constraint: bonus constraint((T0532)A115.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)L10.CB, (T0532)A42.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)T33.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)I351.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)V100.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)Q426.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)V357.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)W503.CB) [> -10.000 = 7.000 < 14.000] w=0.462 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)V224.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)S325.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)N27.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)F272.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)D132.CB) [> -10.000 = 7.000 < 14.000] w=0.461 to constraints # Constraint # added constraint: bonus constraint((T0532)A138.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)A115.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)M68.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)Y345.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)Y448.CB, (T0532)A487.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)A355.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.460 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)R444.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)K200.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)I26.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)F197.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)Y121.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)N95.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.459 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)Q323.CB, (T0532)W360.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)H204.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)T425.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)Y369.CB, (T0532)Q434.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)S325.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)K191.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)M280.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)P134.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)F281.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)Y111.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.458 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)A409.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)H204.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)A353.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)K370.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)F159.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)S265.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.457 to constraints # Constraint # added constraint: bonus constraint((T0532)A372.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)D496.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)T28.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)D419.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)P181.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)L183.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)M128.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.456 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)L237.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)T28.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)V341.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)K189.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)F379.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)K207.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.455 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)H204.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)Y345.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)N349.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)T446.CB, (T0532)T461.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)F281.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)Y440.CB, (T0532)T461.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)L63.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)Q323.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)I373.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)F197.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.454 to constraints # Constraint # added constraint: bonus constraint((T0532)I269.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)A409.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)L63.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)K66.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)V216.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)N236.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)A355.CB, (T0532)W503.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)R342.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)S206.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.453 to constraints # Constraint # added constraint: bonus constraint((T0532)I187.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.452 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.452 to constraints # Constraint # added constraint: bonus constraint((T0532)P134.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.452 to constraints # Constraint # added constraint: bonus constraint((T0532)I182.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.452 to constraints # Constraint # added constraint: bonus constraint((T0532)Y261.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)N236.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)Q348.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)I49.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)D132.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)F159.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.451 to constraints # Constraint # added constraint: bonus constraint((T0532)F350.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.450 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.450 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.450 to constraints # Constraint # added constraint: bonus constraint((T0532)M68.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.450 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)A355.CB, (T0532)R374.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)K66.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)A353.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)L133.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)M68.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)N236.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)R427.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)I269.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)M130.CB) [> -10.000 = 7.000 < 14.000] w=0.449 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)A365.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)L268.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)K119.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)L45.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)T194.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)I182.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)H376.CB, (T0532)Q491.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)K122.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)N480.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.448 to constraints # Constraint # added constraint: bonus constraint((T0532)R445.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)L133.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)F159.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)F379.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.447 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)T33.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)A318.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)K422.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)V103.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)Y125.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)M68.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)V103.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.446 to constraints # Constraint # added constraint: bonus constraint((T0532)F23.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)L133.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)R342.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)Y324.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)I361.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)T275.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)T14.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)F159.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)S206.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)G359.CA, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.445 to constraints # Constraint # added constraint: bonus constraint((T0532)R342.CB, (T0532)V389.CB) [> -10.000 = 7.000 < 14.000] w=0.444 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.444 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.444 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.444 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.444 to constraints # Constraint # added constraint: bonus constraint((T0532)A356.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)Y368.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)T266.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)Y121.CB, (T0532)A353.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)F350.CB, (T0532)L429.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)F379.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)M230.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.443 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)L63.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)I269.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)S366.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)I380.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)K66.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)Q426.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.442 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)Q434.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)Y111.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)L45.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)L12.CB, (T0532)I49.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)K189.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.441 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)Q97.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)S210.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)F272.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)K207.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)K207.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)L424.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)H204.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.440 to constraints # Constraint # added constraint: bonus constraint((T0532)K207.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.439 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.439 to constraints # Constraint # added constraint: bonus constraint((T0532)F350.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.439 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.439 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.439 to constraints # Constraint # added constraint: bonus constraint((T0532)G344.CA, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.439 to constraints # Constraint # added constraint: bonus constraint((T0532)I94.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.439 to constraints # Constraint # added constraint: bonus constraint((T0532)I423.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)L237.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)A353.CB, (T0532)I420.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)I380.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.438 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)Q97.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)P339.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)L343.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)I4.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)Q434.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)L16.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.437 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)I361.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)K122.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)G359.CA) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)L64.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)V100.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)I187.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)N480.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)L264.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)T14.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)L343.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.436 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)E137.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)D419.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)Y440.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)T195.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.435 to constraints # Constraint # added constraint: bonus constraint((T0532)M230.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)I182.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)T194.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)I94.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)Y7.CB, (T0532)F23.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)G131.CA, (T0532)K189.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)D180.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)P148.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)G359.CA, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)I187.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)L16.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)P473.CB, (T0532)N485.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)S127.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)A96.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)A138.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)A96.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)D442.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.434 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)Q348.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)L183.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)K422.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)F432.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)D442.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.433 to constraints # Constraint # added constraint: bonus constraint((T0532)L12.CB, (T0532)M99.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)K370.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)D163.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)F220.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)Q67.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)K208.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)Y443.CB, (T0532)N463.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)D180.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)E137.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)V216.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.432 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)D132.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)G131.CA, (T0532)L183.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)T28.CB, (T0532)L114.CB) [> -10.000 = 7.000 < 14.000] w=0.431 to constraints # Constraint # added constraint: bonus constraint((T0532)H435.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)N27.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)G305.CA, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)Y472.CB, (T0532)D496.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)A353.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)G113.CA) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)S206.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)L352.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)P449.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)Q198.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.430 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)V340.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)F197.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)I182.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)T266.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)L264.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)M230.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)A365.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.429 to constraints # Constraint # added constraint: bonus constraint((T0532)S206.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)R358.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)D277.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)L451.CB, (T0532)E489.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)T194.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)L202.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)A355.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)Q67.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)L268.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)L11.CB, (T0532)C20.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)A96.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)T425.CB) [> -10.000 = 7.000 < 14.000] w=0.428 to constraints # Constraint # added constraint: bonus constraint((T0532)F379.CB, (T0532)L429.CB) [> -10.000 = 7.000 < 14.000] w=0.427 to constraints # Constraint # added constraint: bonus constraint((T0532)P134.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.427 to constraints # Constraint # added constraint: bonus constraint((T0532)L264.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.427 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.427 to constraints # Constraint # added constraint: bonus constraint((T0532)F159.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.427 to constraints # Constraint # added constraint: bonus constraint((T0532)A18.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.427 to constraints # Constraint # added constraint: bonus constraint((T0532)Y324.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)K271.CB, (T0532)L429.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)A353.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)A115.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)V357.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)Y448.CB, (T0532)E486.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)N151.CB, (T0532)N233.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.426 to constraints # Constraint # added constraint: bonus constraint((T0532)M230.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)T425.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)F272.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)Y428.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.425 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)S53.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)Y472.CB, (T0532)I504.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)H376.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)N349.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)V201.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)R374.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)F159.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)Q434.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)M126.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)L45.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)T266.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)L63.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)L264.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)D419.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.424 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)F272.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)Y168.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)F23.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)A353.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)I423.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)Q426.CB, (T0532)Q491.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)K207.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.423 to constraints # Constraint # added constraint: bonus constraint((T0532)Y345.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)M99.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)L237.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)Q198.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)Q67.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)A115.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)L139.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.422 to constraints # Constraint # added constraint: bonus constraint((T0532)I380.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)Y111.CB, (T0532)L268.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)M280.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)E354.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)S9.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)L424.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)A167.CB, (T0532)D180.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)A115.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)N27.CB, (T0532)Y150.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)L352.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)A430.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.421 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)A365.CB, (T0532)R374.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)K191.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)I373.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)M203.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)F124.CB, (T0532)L164.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)I278.CB) [> -10.000 = 7.000 < 14.000] w=0.420 to constraints # Constraint # added constraint: bonus constraint((T0532)Q67.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)R358.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)K66.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)S265.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)F432.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)M126.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)L11.CB, (T0532)S38.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)L16.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)Q348.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)H435.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)Y60.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.419 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)K217.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)Q348.CB, (T0532)S431.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)I187.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)A353.CB, (T0532)M433.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)L12.CB, (T0532)V201.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)P134.CB, (T0532)G185.CA) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)L114.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)Y441.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)Q484.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)S188.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)V103.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.418 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)L164.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)L161.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)Y440.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)A372.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)T28.CB, (T0532)I123.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)I118.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)Q426.CB, (T0532)H435.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)E129.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)L451.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)T28.CB, (T0532)L46.CB) [> -10.000 = 7.000 < 14.000] w=0.417 to constraints # Constraint # added constraint: bonus constraint((T0532)K370.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)G359.CA, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)L202.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)Q198.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)F124.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)L237.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)I223.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)A372.CB, (T0532)R444.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)R279.CB, (T0532)E347.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)Y303.CB) [> -10.000 = 7.000 < 14.000] w=0.416 to constraints # Constraint # added constraint: bonus constraint((T0532)D163.CB, (T0532)T194.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)I59.CB, (T0532)M126.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)K271.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)M130.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)R219.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)E347.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)D180.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)G447.CA) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)V216.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)P30.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)G344.CA, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)R358.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.415 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)F272.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)L229.CB, (T0532)A346.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)Q198.CB, (T0532)Y440.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)H204.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)F171.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)E347.CB, (T0532)L501.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)Q153.CB, (T0532)S477.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)D24.CB, (T0532)T33.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)F197.CB, (T0532)I373.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)T33.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)T266.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)V216.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)F87.CB, (T0532)K200.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.414 to constraints # Constraint # added constraint: bonus constraint((T0532)S366.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.413 to constraints # Constraint # added constraint: bonus constraint((T0532)P134.CB, (T0532)A193.CB) [> -10.000 = 7.000 < 14.000] w=0.413 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.413 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.413 to constraints # Constraint # added constraint: bonus constraint((T0532)I410.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.413 to constraints # Constraint # added constraint: bonus constraint((T0532)A42.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.413 to constraints # Constraint # added constraint: bonus constraint((T0532)K200.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)A196.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)I26.CB, (T0532)L199.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)F272.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)M377.CB, (T0532)I423.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)N95.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.412 to constraints # Constraint # added constraint: bonus constraint((T0532)F350.CB, (T0532)I410.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)V156.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)Y437.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)L183.CB, (T0532)L229.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)Y324.CB, (T0532)W470.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)E354.CB, (T0532)W503.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)Q426.CB, (T0532)I453.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)I351.CB, (T0532)P449.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)W360.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)E136.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)I8.CB, (T0532)L63.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)G305.CA) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)Y428.CB, (T0532)V450.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)A193.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)Y443.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)D235.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)E347.CB, (T0532)R445.CB) [> -10.000 = 7.000 < 14.000] w=0.411 to constraints # Constraint # added constraint: bonus constraint((T0532)A284.CB, (T0532)V439.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)V224.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)N349.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)L139.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)L237.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)A115.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)A120.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)E347.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)K207.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)Y111.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)R358.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)L17.CB, (T0532)Y135.CB) [> -10.000 = 7.000 < 14.000] w=0.410 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)H204.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)K192.CB, (T0532)V357.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)A15.CB, (T0532)F117.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)T275.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)F117.CB, (T0532)A138.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)A120.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)P339.CB) [> -10.000 = 7.000 < 14.000] w=0.409 to constraints # Constraint # added constraint: bonus constraint((T0532)D419.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)P467.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)S38.CB, (T0532)V103.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)L202.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)V357.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)Q323.CB, (T0532)D419.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)S186.CB, (T0532)Y283.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)K200.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)T195.CB, (T0532)M230.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)N236.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)F350.CB, (T0532)F492.CB) [> -10.000 = 7.000 < 14.000] w=0.408 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)Y319.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)Q323.CB, (T0532)Q426.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)N349.CB, (T0532)F432.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)G447.CA, (T0532)T461.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)K200.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)Y448.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)R445.CB, (T0532)K500.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)K273.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)I160.CB, (T0532)H483.CB) [> -10.000 = 7.000 < 14.000] w=0.407 to constraints # Constraint # added constraint: bonus constraint((T0532)L63.CB, (T0532)V103.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)Q97.CB, (T0532)A167.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)L161.CB, (T0532)I187.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)I187.CB, (T0532)F220.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)A355.CB, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)Q348.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)A13.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)Y90.CB, (T0532)Y121.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)F197.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)L202.CB, (T0532)T275.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)Y303.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)E136.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)F281.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)M230.CB, (T0532)R342.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)I351.CB) [> -10.000 = 7.000 < 14.000] w=0.406 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)A284.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)V216.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)N233.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)W360.CB, (T0532)D442.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)L199.CB, (T0532)K422.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)Y121.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)K271.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)A13.CB, (T0532)L93.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)R219.CB, (T0532)L424.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)D24.CB, (T0532)K192.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)V100.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)I380.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)L264.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)N151.CB, (T0532)D180.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)A138.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)Y368.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.405 to constraints # Constraint # added constraint: bonus constraint((T0532)V103.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)F350.CB, (T0532)I420.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)M267.CB, (T0532)H376.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)A430.CB, (T0532)L488.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)T446.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)K66.CB, (T0532)M377.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)S127.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)E338.CB, (T0532)Q434.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)Y121.CB, (T0532)I223.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)Q198.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)L41.CB, (T0532)Q153.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)L46.CB, (T0532)V103.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)K217.CB, (T0532)Y369.CB) [> -10.000 = 7.000 < 14.000] w=0.404 to constraints # Constraint # added constraint: bonus constraint((T0532)L16.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)W190.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)D31.CB, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)A372.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)M128.CB, (T0532)Y428.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)E354.CB, (T0532)M471.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)S19.CB, (T0532)L133.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)V156.CB, (T0532)A355.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)M157.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)G141.CA, (T0532)S186.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)D277.CB, (T0532)G344.CA) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)V224.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)A372.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)P339.CB, (T0532)Y443.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)V224.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)W360.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)K370.CB, (T0532)L466.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)M468.CB) [> -10.000 = 7.000 < 14.000] w=0.403 to constraints # Constraint # added constraint: bonus constraint((T0532)P134.CB, (T0532)A196.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)K370.CB, (T0532)R469.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)F197.CB, (T0532)V341.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)L93.CB, (T0532)M130.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)H204.CB, (T0532)I380.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)M130.CB, (T0532)M502.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)I118.CB, (T0532)Y345.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)W190.CB, (T0532)E209.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)M230.CB, (T0532)A274.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)I123.CB, (T0532)R279.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)K208.CB, (T0532)Q323.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)M68.CB, (T0532)I160.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)L202.CB, (T0532)L237.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)E347.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.402 to constraints # Constraint # added constraint: bonus constraint((T0532)K119.CB, (T0532)V216.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)V100.CB, (T0532)I182.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)L16.CB, (T0532)L343.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)L45.CB, (T0532)F171.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)Y150.CB, (T0532)D438.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)M157.CB, (T0532)M203.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)C20.CB, (T0532)G113.CA) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)V103.CB, (T0532)Y472.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)T275.CB, (T0532)K370.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)A32.CB, (T0532)F124.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)P339.CB, (T0532)R427.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)Y135.CB, (T0532)F379.CB) [> -10.000 = 7.000 < 14.000] w=0.401 to constraints # Constraint # added constraint: bonus constraint((T0532)K122.CB, (T0532)F350.CB) [> -10.000 = 7.000 < 14.000] w=0.400 to constraints # Constraint # added constraint: bonus constraint((T0532)G359.CA, (T0532)A430.CB) [> -10.000 = 7.000 < 14.000] w=0.400 to constraints # Constraint # added constraint: bonus constraint((T0532)L205.CB, (T0532)S366.CB) [> -10.000 = 7.000 < 14.000] w=0.400 to constraints # command:CPU_time= 37.639 sec, elapsed time= 43.797 sec. # command:# Making generic fragment library # fragment library contains # type length num_fragments num_indexes_used # n-terminus 1 1963 20 (100.000%) # n-terminus 2 1934 333 (83.250%) # middle 1 483679 20 (100.000%) # middle 2 477517 400 (100.000%) # middle 3 471578 7988 (99.850%) # middle 4 465793 120683 (75.427%) # c-terminus 1 1917 20 (100.000%) # c-terminus 2 1889 372 (93.000%) # ss-bonds 1052 # command:CPU_time= 50.663 sec, elapsed time= 61.102 sec. # command:# Prefix for output files set to decoys/ # command:# Prefix for input files set to # command:Warning: Couldn't open file Template.atoms or Template.atoms.gz for input Trying Template.atoms Error: Couldn't open file Template.atoms or Template.atoms.gz for input # command:# reading script from file T0532.t04.undertaker-align.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 3ihvA/T0532-3ihvA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3ihvA expands to /projects/compbio/data/pdb/3ihv.pdb.gz 3ihvA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 160, because occupancy 0.5 <= existing 0.500 in 3ihvA Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 166, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 168, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 170, because occupancy 0.500 <= existing 0.500 in 3ihvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 467, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 471, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 473, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 475, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 477, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 587, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 591, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 593, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 612, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 616, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 618, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 620, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 622, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 624, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 797, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 801, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 803, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 814, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 818, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 820, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 822, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 824, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 826, because occupancy 0.500 <= existing 0.500 in 3ihvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1182, because occupancy 0.500 <= existing 0.500 in 3ihvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1186, because occupancy 0.500 <= existing 0.500 in 3ihvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1188, because occupancy 0.500 <= existing 0.500 in 3ihvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1192, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1195, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1199, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1201, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1260, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1264, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1266, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1268, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1373, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1377, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1379, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1381, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1383, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1852, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1856, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1858, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1860, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1862, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1864, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1866, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 1868, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 2146, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 2150, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 2152, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 2154, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 2156, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 3650, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 3654, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 3656, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 3658, because occupancy 0.500 <= existing 0.500 in 3ihvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 4320, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 4324, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 4326, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 4328, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 4330, because occupancy 0.500 <= existing 0.500 in 3ihvA Skipped atom 4332, because occupancy 0.500 <= existing 0.500 in 3ihvA # T0532 read from 3ihvA/T0532-3ihvA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3ihvA read from 3ihvA/T0532-3ihvA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3ihvA to template set # found chain 3ihvA in template set T0532 24 :DEINT 3ihvA 25 :ETRTE # choosing archetypes in rotamer library T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNA 3ihvA 128 :TTTDKKL T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 138 :YIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKF 3ihvA 320 :CAANVKVVHTFVLDW T0532 273 :KATGDIRMFYYAKP 3ihvA 336 :EDVSDIRRDLSIAN T0532 288 :KA 3ihvA 350 :YQ T0532 291 :LNEGVTADSW 3ihvA 352 :YTDTKKSLWV T0532 301 :DAYIG 3ihvA 386 :QNYTP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 391 :AKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHMEFIA 3ihvA 448 :VRRRGYGNP T0532 384 :TPDEEVYH 3ihvA 457 :SNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASF 3ihvA 465 :PQGLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGY 3ihvA 491 :RRQDLIRWGI T0532 453 :INPATNRNT 3ihvA 516 :WEGTGSPNY T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 530 :TEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 26 number of extra gaps= 0 total=26 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_644150081.pdb -s /var/tmp/to_scwrl_644150081.seq -o /var/tmp/from_scwrl_644150081.pdb > /var/tmp/scwrl_644150081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_644150081.pdb Number of alignments=1 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3i4gA/T0532-3i4gA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3i4gA expands to /projects/compbio/data/pdb/3i4g.pdb.gz 3i4gA:Skipped atom 62, because occupancy 0.250 <= existing 0.250 in 3i4gA Skipped atom 65, because occupancy 0.250 <= existing 0.250 in 3i4gA Skipped atom 68, because occupancy 0.250 <= existing 0.250 in 3i4gA Skipped atom 71, because occupancy 0.250 <= existing 0.250 in 3i4gA Skipped atom 74, because occupancy 0.250 <= existing 0.250 in 3i4gA Skipped atom 77, because occupancy 0.250 <= existing 0.250 in 3i4gA Skipped atom 93, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 95, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 97, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 99, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 101, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 103, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 105, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 107, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 109, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 139, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 141, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 143, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 145, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 147, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 203, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 205, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 207, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 209, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 211, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 213, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 272, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 274, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 276, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 278, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 280, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 282, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 284, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 286, because occupancy 0.300 <= existing 0.700 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 488, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 490, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 492, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 494, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 496, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 498, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 500, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 502, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 651, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 653, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 655, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 657, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 659, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 661, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 663, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 665, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 667, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 669, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 671, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 699, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 701, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 703, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 705, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 707, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 713, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 715, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 799, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 801, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 803, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 805, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 807, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 809, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 811, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 813, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 834, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 836, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 838, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 840, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 842, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 844, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 846, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 877, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 879, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 881, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 883, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 885, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 887, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1223, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1225, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1227, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1229, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1231, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1233, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1235, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1237, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1239, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1632, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1634, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1636, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1638, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1640, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1642, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1644, because occupancy 0.370 <= existing 0.380 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1646, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1665, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1667, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1669, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1671, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1673, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1675, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1677, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1679, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1681, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1754, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1756, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1758, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1760, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1762, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1764, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1766, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1768, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1770, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1772, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1798, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1800, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1802, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1804, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1806, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1808, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1810, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1812, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1814, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1946, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1948, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1950, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1952, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1954, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1956, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1976, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1978, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1980, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1982, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1984, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 1986, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2708, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2710, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2712, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2714, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2716, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2718, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2720, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2722, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2724, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2783, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2785, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2787, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2789, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2791, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2793, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2795, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2797, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 2799, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2999, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3001, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3003, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3005, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3007, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3009, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3056, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3058, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3060, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3062, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3064, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3066, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3068, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3070, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3072, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 3265, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3267, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3269, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3271, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3273, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3275, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3277, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3279, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3281, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3283, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3285, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3287, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3289, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3291, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3293, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3295, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 3297, because occupancy 0.500 <= existing 0.500 in 3i4gA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 4267, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4269, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4271, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4273, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4275, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4277, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4279, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4281, because occupancy 0.500 <= existing 0.500 in 3i4gA Skipped atom 4291, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 4293, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 4295, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 4297, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 4299, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 4301, because occupancy 0.300 <= existing 0.700 in 3i4gA Skipped atom 4303, because occupancy 0.300 <= existing 0.700 in 3i4gA # T0532 read from 3i4gA/T0532-3i4gA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3i4gA read from 3i4gA/T0532-3i4gA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3i4gA to template set # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLL 3i4gA 34 :TFWNSESNAELALTSLYR T0532 48 :DIT 3i4gA 53 :SLT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSL 3i4gA 364 :KEKLDYTSEA T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAH 3i4gA 435 :VRGR T0532 377 :MEFIASN 3i4gA 441 :VNMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGY 3i4gA 472 :RYWDIMRWGI T0532 449 :PVLP 3i4gA 486 :LSQK T0532 454 :NPATNRNTMN 3i4gA 514 :YRWYVGKRAF T0532 464 :DRLPMRWMYPKSESDYNLEH 3i4gA 525 :NPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 24 number of extra gaps= 0 total=50 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_209394470.pdb -s /var/tmp/to_scwrl_209394470.seq -o /var/tmp/from_scwrl_209394470.pdb > /var/tmp/scwrl_209394470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_209394470.pdb Number of alignments=2 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3kezA/T0532-3kezA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3kezA expands to /projects/compbio/data/pdb/3kez.pdb.gz 3kezA:Skipped atom 142, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 146, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 148, because occupancy 0.500 <= existing 0.500 in 3kezA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 553, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 557, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 559, because occupancy 0.500 <= existing 0.500 in 3kezA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1666, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 1670, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 1672, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 1674, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 1676, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 1678, because occupancy 0.500 <= existing 0.500 in 3kezA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2323, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2327, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2329, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2831, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2835, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2837, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2839, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2841, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 2843, because occupancy 0.500 <= existing 0.500 in 3kezA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3170, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 3174, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 3176, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 3178, because occupancy 0.500 <= existing 0.500 in 3kezA Skipped atom 3180, because occupancy 0.500 <= existing 0.500 in 3kezA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0532 read from 3kezA/T0532-3kezA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3kezA read from 3kezA/T0532-3kezA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3kezA to template set # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 178 :IDSKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAK 3kezA 321 :DVRLKILSFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=75 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_897389533.pdb -s /var/tmp/to_scwrl_897389533.seq -o /var/tmp/from_scwrl_897389533.pdb > /var/tmp/scwrl_897389533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897389533.pdb Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3cghA/T0532-3cghA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3cghA expands to /projects/compbio/data/pdb/3cgh.pdb.gz 3cghA:Skipped atom 107, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 111, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 113, because occupancy 0.500 <= existing 0.500 in 3cghA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 623, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 627, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 629, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 792, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 796, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 798, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 800, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 802, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 804, because occupancy 0.500 <= existing 0.500 in 3cghA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1250, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1254, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1256, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1258, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1260, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1262, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1361, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1365, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1367, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1369, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1371, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1605, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1609, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1611, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1613, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1615, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1617, because occupancy 0.500 <= existing 0.500 in 3cghA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1723, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1727, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1729, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1942, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1944, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1946, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1948, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1950, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1952, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 1954, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2002, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2006, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2008, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2010, because occupancy 0.500 <= existing 0.500 in 3cghA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2163, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2167, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2169, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2171, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2334, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2336, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2338, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2340, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2342, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2344, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2346, because occupancy 0.500 <= existing 0.500 in 3cghA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2714, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2718, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2720, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2722, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2724, because occupancy 0.500 <= existing 0.500 in 3cghA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2772, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2776, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2778, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2780, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2782, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2784, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2970, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2974, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2976, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2978, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 2980, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3231, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3235, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3237, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3539, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3543, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3545, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3547, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3549, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3551, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3569, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3571, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3573, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3575, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3577, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3579, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 3581, because occupancy 0.500 <= existing 0.500 in 3cghA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 4022, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 4026, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 4028, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 4030, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 4032, because occupancy 0.500 <= existing 0.500 in 3cghA Skipped atom 4034, because occupancy 0.500 <= existing 0.500 in 3cghA # T0532 read from 3cghA/T0532-3cghA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3cghA read from 3cghA/T0532-3cghA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3cghA to template set # found chain 3cghA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 83 :GRSGFGG 3cghA 105 :SDKIIPT T0532 90 :YTTLINAQKMVESV 3cghA 113 :YSNLTQVKLVSQNT T0532 109 :NAYDGLAHFIKAYKIFYMSMEMGD 3cghA 129 :PVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVASG 3cghA 235 :AQQMAEEAVNPA T0532 228 :SLMESNEDNL 3cghA 249 :GVIESNADNA T0532 246 :NTVYPFHNTNTK 3cghA 277 :NQVQTSDHGGVP T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKP 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTK T0532 289 :AKLNE 3cghA 320 :SEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQIEKAY 3cghA 336 :IPELKTTG T0532 322 :EQYSGFN 3cghA 344 :HKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPD 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVE T0532 388 :EVYHHGHPITEEAIAAF 3cghA 406 :DYLKDDVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :I 3cghA 535 :S Number of specific fragments extracted= 25 number of extra gaps= 4 total=100 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_895855964.pdb -s /var/tmp/to_scwrl_895855964.seq -o /var/tmp/from_scwrl_895855964.pdb > /var/tmp/scwrl_895855964.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_895855964.pdb Number of alignments=4 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3gzsA/T0532-3gzsA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3gzsA expands to /projects/compbio/data/pdb/3gzs.pdb.gz 3gzsA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 910, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 914, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 916, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 918, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 920, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 922, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 924, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 926, because occupancy 0.500 <= existing 0.500 in 3gzsA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: OD3 for alphabet: pdb_atoms Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3710, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 3714, because occupancy 0.500 <= existing 0.500 in 3gzsA Skipped atom 3716, because occupancy 0.500 <= existing 0.500 in 3gzsA # T0532 read from 3gzsA/T0532-3gzsA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3gzsA read from 3gzsA/T0532-3gzsA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3gzsA to template set # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 54 :YLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 108 :NYFMYENWVN T0532 90 :Y 3gzsA 120 :Y T0532 91 :TTLINAQKMVESV 3gzsA 122 :FMVTDVYSPWMQI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTN 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVIN T0532 257 :KHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 294 :EEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 301 :DAYIGTDPSLPFEQIEKAYATE 3gzsA 327 :FKAVRCGIAKSGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 456 :ATNRNTMNDR 3gzsA 487 :SAVLIGNGYD T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 499 :GVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=120 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1733317841.pdb -s /var/tmp/to_scwrl_1733317841.seq -o /var/tmp/from_scwrl_1733317841.pdb > /var/tmp/scwrl_1733317841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1733317841.pdb Number of alignments=5 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3jysA/T0532-3jysA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3jysA expands to /projects/compbio/data/pdb/3jys.pdb.gz 3jysA:Skipped atom 85, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 89, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 91, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 145, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 151, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 388, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 392, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 394, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 396, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 398, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 600, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 606, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 608, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 610, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 612, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 775, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 779, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 781, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 783, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 785, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 787, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 989, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 993, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 995, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 997, because occupancy 0.370 <= existing 0.380 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 999, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1651, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1655, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1657, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1659, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1661, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1663, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1708, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1712, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1714, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1716, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1718, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 1720, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2392, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2396, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2398, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2400, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2402, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2404, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2705, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2709, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2711, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2713, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 2715, because occupancy 0.500 <= existing 0.500 in 3jysA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3251, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3255, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3257, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3259, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3261, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3264, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3268, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3270, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3272, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3274, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3288, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3292, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3294, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3296, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3298, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3300, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3302, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3304, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3673, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3677, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3679, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3681, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3683, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3839, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3843, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3845, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3847, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3849, because occupancy 0.500 <= existing 0.500 in 3jysA Skipped atom 3851, because occupancy 0.500 <= existing 0.500 in 3jysA # T0532 read from 3jysA/T0532-3jysA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3jysA read from 3jysA/T0532-3jysA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3jysA to template set # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDD 3jysA 146 :PES T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3jysA 150 :DKESYIAQARFNRAFAYYVLMDMFALPPFITE T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 182 :KNYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 243 :DK 3jysA 319 :AH T0532 253 :NTN 3jysA 321 :SGV T0532 258 :HAGYAMLSTMLIDKF 3jysA 326 :GWAGFRATSNLVHLF T0532 274 :ATG 3jysA 344 :NDE T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPD 3jysA 441 :LRKRAYGDDKHNIS T0532 387 :EEVY 3jysA 456 :NWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 28 number of extra gaps= 3 total=148 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1500614008.pdb -s /var/tmp/to_scwrl_1500614008.seq -o /var/tmp/from_scwrl_1500614008.pdb > /var/tmp/scwrl_1500614008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1500614008.pdb Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3jq1A/T0532-3jq1A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3jq1A expands to /projects/compbio/data/pdb/3jq1.pdb.gz 3jq1A:Skipped atom 114, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 118, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 120, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 122, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 408, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 412, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 414, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 629, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 633, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 635, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 637, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 639, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 707, because occupancy 0.300 <= existing 0.700 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 711, because occupancy 0.300 <= existing 0.700 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 713, because occupancy 0.300 <= existing 0.700 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 715, because occupancy 0.230 <= existing 0.520 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 717, because occupancy 0.300 <= existing 0.700 in 3jq1A Skipped atom 820, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 824, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 826, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 828, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 830, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 896, because occupancy 0.300 <= existing 0.700 in 3jq1A Skipped atom 900, because occupancy 0.300 <= existing 0.700 in 3jq1A Skipped atom 902, because occupancy 0.300 <= existing 0.700 in 3jq1A Skipped atom 1040, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1044, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1046, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1048, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1050, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1052, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1397, because occupancy 0.400 <= existing 0.600 in 3jq1A Skipped atom 1401, because occupancy 0.400 <= existing 0.600 in 3jq1A Skipped atom 1403, because occupancy 0.400 <= existing 0.600 in 3jq1A Skipped atom 1405, because occupancy 0.400 <= existing 0.600 in 3jq1A Skipped atom 1407, because occupancy 0.400 <= existing 0.600 in 3jq1A Skipped atom 1409, because occupancy 0.400 <= existing 0.600 in 3jq1A Skipped atom 1625, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1629, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1631, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1633, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1635, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1637, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1662, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1666, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1668, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1670, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1672, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1674, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 1723, because occupancy 0.330 <= existing 0.330 in 3jq1A Skipped atom 1728, because occupancy 0.330 <= existing 0.330 in 3jq1A Skipped atom 1731, because occupancy 0.330 <= existing 0.330 in 3jq1A Skipped atom 1734, because occupancy 0.330 <= existing 0.330 in 3jq1A Skipped atom 1737, because occupancy 0.330 <= existing 0.330 in 3jq1A Skipped atom 1740, because occupancy 0.330 <= existing 0.330 in 3jq1A Skipped atom 2102, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2106, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2108, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2110, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2112, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2114, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2116, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2118, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2120, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2122, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2124, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2384, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2388, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2390, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2392, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2565, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2569, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2571, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2573, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2575, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 2577, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2979, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2983, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2985, because occupancy 0.500 <= existing 0.500 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2987, because occupancy 0.370 <= existing 0.380 in 3jq1A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2989, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 3797, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 3801, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 3803, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 3805, because occupancy 0.500 <= existing 0.500 in 3jq1A Skipped atom 3807, because occupancy 0.500 <= existing 0.500 in 3jq1A # T0532 read from 3jq1A/T0532-3jq1A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3jq1A read from 3jq1A/T0532-3jq1A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3jq1A to template set # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRM 3jq1A 330 :DYRA T0532 281 :FYYAKPAKAKLNEGV 3jq1A 336 :SVAWDYEGCTYYQRP T0532 310 :LPFEQI 3jq1A 355 :FAQDKW T0532 317 :KAYATEQYSGFNAR 3jq1A 361 :KTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHPY 3jq1A 451 :VEGE T0532 439 :VYYDYRRTGY 3jq1A 455 :RFYDLRRWGL T0532 458 :NRNTMNDR 3jq1A 480 :YQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 22 number of extra gaps= 1 total=170 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1692717045.pdb -s /var/tmp/to_scwrl_1692717045.seq -o /var/tmp/from_scwrl_1692717045.pdb > /var/tmp/scwrl_1692717045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1692717045.pdb Number of alignments=7 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3hdxA/T0532-3hdxA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3hdxA expands to /projects/compbio/data/pdb/3hdx.pdb.gz 3hdxA:Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 46, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 48, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 50, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 52, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 54, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 64, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 68, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 70, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 72, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 74, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 77, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 81, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 83, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 85, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 87, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 89, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 107, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 111, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 113, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 115, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 119, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 121, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 123, because occupancy 0.500 <= existing 0.500 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 229, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 233, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 235, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 237, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 239, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 410, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 414, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 416, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 478, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 482, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 484, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 486, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 488, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 490, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 501, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 505, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 507, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 509, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 511, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 566, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 570, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 572, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 574, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 576, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 578, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 625, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 629, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 631, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 633, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 635, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 637, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 639, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 641, because occupancy 0.500 <= existing 0.500 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 748, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 752, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 754, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 756, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 758, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 760, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 763, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 767, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 769, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 771, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 773, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 775, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 840, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 844, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 846, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 848, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 851, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 855, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 857, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 878, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 882, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 884, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 886, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 888, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 890, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 893, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 897, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 899, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 901, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 903, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 905, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 952, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 956, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 958, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 960, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 962, because occupancy 0.500 <= existing 0.500 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1077, because occupancy 0.200 <= existing 0.800 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1081, because occupancy 0.200 <= existing 0.800 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1083, because occupancy 0.200 <= existing 0.800 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1085, because occupancy 0.150 <= existing 0.600 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1087, because occupancy 0.200 <= existing 0.800 in 3hdxA Skipped atom 1253, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1257, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1259, because occupancy 0.500 <= existing 0.500 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1295, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1299, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1301, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1303, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1305, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1313, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1317, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1319, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1321, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1323, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1325, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1373, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1377, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1379, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1381, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1383, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1385, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1438, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1442, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1444, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1446, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1448, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1450, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1536, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1540, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1542, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1544, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1546, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1665, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1669, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1671, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1673, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1675, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1677, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1679, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1681, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1732, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1736, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1738, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1817, because occupancy 0.400 <= existing 0.600 in 3hdxA Skipped atom 1821, because occupancy 0.400 <= existing 0.600 in 3hdxA Skipped atom 1823, because occupancy 0.400 <= existing 0.600 in 3hdxA Skipped atom 1825, because occupancy 0.400 <= existing 0.600 in 3hdxA Skipped atom 1827, because occupancy 0.400 <= existing 0.600 in 3hdxA Skipped atom 1889, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1893, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1895, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1959, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1963, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1965, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1967, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1969, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 1971, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2071, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2075, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2077, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2079, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2081, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2083, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2128, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2132, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2134, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2137, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2141, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2143, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2145, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2147, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2354, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2356, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2358, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2360, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2362, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2364, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2366, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2368, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2370, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2382, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2386, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2388, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2391, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2395, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2397, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2399, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2401, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2403, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2405, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2407, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2409, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2419, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2423, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2425, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2427, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2429, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2431, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2510, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2514, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2516, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2930, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2934, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2936, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2938, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 2940, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3048, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3052, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3054, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3056, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3058, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3078, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3082, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3084, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3086, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3110, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3114, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3116, because occupancy 0.500 <= existing 0.500 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3239, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3243, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3245, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3268, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3272, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3274, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3276, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3278, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3280, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3333, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3337, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3339, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3341, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3343, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3345, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3348, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3352, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3354, because occupancy 0.500 <= existing 0.500 in 3hdxA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3855, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3859, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3861, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3863, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3865, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3868, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3872, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3874, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3876, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3878, because occupancy 0.500 <= existing 0.500 in 3hdxA Skipped atom 3880, because occupancy 0.500 <= existing 0.500 in 3hdxA # T0532 read from 3hdxA/T0532-3hdxA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3hdxA read from 3hdxA/T0532-3hdxA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3hdxA to template set # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)N328 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 87 :FGG 3hdxA 109 :WRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLM 3hdxA 263 :EIN T0532 231 :ESNEDNL 3hdxA 269 :TSIADLT T0532 245 :ANTVYPFHNTNTKHAGYAMLSTM 3hdxA 310 :LEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMF 3hdxA 334 :LFSIFTNFDDLRFG T0532 294 :GVTADSWDAYIGTDPSL 3hdxA 348 :IIDTIKYSSYYVQNLNE T0532 317 :KAYATEQYSGF 3hdxA 365 :ETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRT 3hdxA 464 :RWYDLVRR T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 20 number of extra gaps= 0 total=190 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1724471066.pdb -s /var/tmp/to_scwrl_1724471066.seq -o /var/tmp/from_scwrl_1724471066.pdb > /var/tmp/scwrl_1724471066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724471066.pdb Number of alignments=8 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3ehmA/T0532-3ehmA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3ehmA expands to /projects/compbio/data/pdb/3ehm.pdb.gz 3ehmA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0532 read from 3ehmA/T0532-3ehmA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3ehmA read from 3ehmA/T0532-3ehmA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3ehmA to template set # found chain 3ehmA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ehmA)P20 T0532 36 :VTSSLLATGLLLDIT 3ehmA 21 :LKYGARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTT 3ehmA 94 :YSQ T0532 93 :LINAQKMVESV 3ehmA 98 :FLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVASG 3ehmA 221 :AKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPI 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPT T0532 397 :TEEAIAA 3ehmA 396 :TGSNYKY T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAA T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 19 number of extra gaps= 0 total=209 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_820915212.pdb -s /var/tmp/to_scwrl_820915212.seq -o /var/tmp/from_scwrl_820915212.pdb > /var/tmp/scwrl_820915212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820915212.pdb Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3jq0A/T0532-3jq0A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3jq0A expands to /projects/compbio/data/pdb/3jq0.pdb.gz 3jq0A:Skipped atom 45, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 49, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 51, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 53, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 55, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 57, because occupancy 0.490 <= existing 0.510 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 402, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 406, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 408, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 410, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 412, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 414, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 416, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 418, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 478, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 482, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 484, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 486, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 488, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 490, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 529, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 533, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 535, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 562, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 566, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 568, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 570, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 572, because occupancy 0.480 <= existing 0.520 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 595, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 599, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 601, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 603, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 605, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 607, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 626, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 630, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 632, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 634, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 636, because occupancy 0.500 <= existing 0.500 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 873, because occupancy 0.330 <= existing 0.670 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 877, because occupancy 0.330 <= existing 0.670 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 879, because occupancy 0.330 <= existing 0.670 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 881, because occupancy 0.330 <= existing 0.670 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 883, because occupancy 0.330 <= existing 0.670 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1153, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 1157, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 1159, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 1161, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 1163, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 1165, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 1194, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1198, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1200, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1202, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1204, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1206, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1281, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1283, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1285, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1287, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1289, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1291, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1293, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1295, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1297, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1299, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1301, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1303, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1305, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1307, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1309, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1311, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1313, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1315, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1317, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1319, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1321, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1323, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1325, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1327, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1329, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1331, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 1383, because occupancy 0.430 <= existing 0.570 in 3jq0A Skipped atom 1387, because occupancy 0.430 <= existing 0.570 in 3jq0A Skipped atom 1389, because occupancy 0.430 <= existing 0.570 in 3jq0A Skipped atom 1391, because occupancy 0.430 <= existing 0.570 in 3jq0A Skipped atom 1393, because occupancy 0.430 <= existing 0.570 in 3jq0A Skipped atom 1395, because occupancy 0.430 <= existing 0.570 in 3jq0A Skipped atom 1397, because occupancy 0.430 <= existing 0.570 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1539, because occupancy 0.300 <= existing 0.700 in 3jq0A Skipped atom 1543, because occupancy 0.300 <= existing 0.700 in 3jq0A Skipped atom 1545, because occupancy 0.300 <= existing 0.700 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1572, because occupancy 0.500 <= existing 0.500 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1576, because occupancy 0.500 <= existing 0.500 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1578, because occupancy 0.500 <= existing 0.500 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1580, because occupancy 0.500 <= existing 0.500 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1582, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 1898, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1902, because occupancy 0.480 <= existing 0.520 in 3jq0A Skipped atom 1904, because occupancy 0.480 <= existing 0.520 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2027, because occupancy 0.280 <= existing 0.720 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2031, because occupancy 0.280 <= existing 0.720 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2033, because occupancy 0.280 <= existing 0.720 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2035, because occupancy 0.280 <= existing 0.720 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2037, because occupancy 0.280 <= existing 0.720 in 3jq0A Skipped atom 2062, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2066, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2068, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2070, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2072, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2074, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2076, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2078, because occupancy 0.460 <= existing 0.540 in 3jq0A Skipped atom 2080, because occupancy 0.460 <= existing 0.540 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2396, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2400, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2402, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2404, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2406, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2408, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2410, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2412, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2426, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2430, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2432, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2434, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2436, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2438, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2510, because occupancy 0.440 <= existing 0.560 in 3jq0A Skipped atom 2514, because occupancy 0.440 <= existing 0.560 in 3jq0A Skipped atom 2516, because occupancy 0.440 <= existing 0.560 in 3jq0A Skipped atom 2518, because occupancy 0.440 <= existing 0.560 in 3jq0A Skipped atom 2520, because occupancy 0.440 <= existing 0.560 in 3jq0A Skipped atom 2599, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 2603, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 2605, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 2607, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 2609, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 2611, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 2638, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2642, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2644, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2646, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2648, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2650, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 2702, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2706, because occupancy 0.450 <= existing 0.550 in 3jq0A Skipped atom 2708, because occupancy 0.450 <= existing 0.550 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3029, because occupancy 0.320 <= existing 0.350 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3034, because occupancy 0.320 <= existing 0.350 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3037, because occupancy 0.320 <= existing 0.350 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3040, because occupancy 0.320 <= existing 0.350 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3043, because occupancy 0.320 <= existing 0.350 in 3jq0A Skipped atom 3087, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3091, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3093, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3095, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3097, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3099, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3124, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3128, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3130, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3132, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3134, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3136, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3307, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3311, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3313, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3315, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3317, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3319, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3448, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3452, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3454, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3456, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3458, because occupancy 0.490 <= existing 0.510 in 3jq0A Skipped atom 3460, because occupancy 0.490 <= existing 0.510 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3485, because occupancy 0.470 <= existing 0.530 in 3jq0A Skipped atom 3489, because occupancy 0.470 <= existing 0.530 in 3jq0A Skipped atom 3491, because occupancy 0.470 <= existing 0.530 in 3jq0A Skipped atom 3493, because occupancy 0.470 <= existing 0.530 in 3jq0A Skipped atom 3495, because occupancy 0.470 <= existing 0.530 in 3jq0A Skipped atom 3497, because occupancy 0.470 <= existing 0.530 in 3jq0A Skipped atom 3500, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3504, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3506, because occupancy 0.500 <= existing 0.500 in 3jq0A Skipped atom 3508, because occupancy 0.500 <= existing 0.500 in 3jq0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0532 read from 3jq0A/T0532-3jq0A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3jq0A read from 3jq0A/T0532-3jq0A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3jq0A to template set # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYA 3jq0A 287 :MWGGY T0532 263 :MLSTMLIDKFKATG 3jq0A 298 :PAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLETPAIQLS 3jq0A 420 :VRERAYGSKYFNEHKAEIAYPNDNDPEFYTDNKWMKPDNAG T0532 419 :DIEKILTQRYLASF 3jq0A 461 :ALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=232 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_842158756.pdb -s /var/tmp/to_scwrl_842158756.seq -o /var/tmp/from_scwrl_842158756.pdb > /var/tmp/scwrl_842158756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842158756.pdb Number of alignments=10 # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 10 alignments, # shrinking each end by up to 0.000*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 11: T0532+T0532-3gzsA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:3gzsA at pool[2] 261.040 cost/residue, 1322 clashes 0.257 breaks # command:# naming current conformation T0532.try1-al1 # command:# reading script from file T0532.t2k.undertaker-align.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 3ejnA/T0532-3ejnA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3ejnA expands to /projects/compbio/data/pdb/3ejn.pdb.gz 3ejnA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 219, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 221, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 223, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 225, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 227, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 946, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 950, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 952, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 954, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 956, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1146, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1150, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1152, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1154, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1156, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1177, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1181, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1183, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1185, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1188, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1192, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1194, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1196, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1198, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1200, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1430, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1434, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1436, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1654, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1658, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1660, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1662, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1664, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1787, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1791, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1793, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1795, because occupancy 0.370 <= existing 0.380 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1797, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1834, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1838, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1840, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1842, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 1844, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1867, because occupancy 0.430 <= existing 0.570 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1871, because occupancy 0.430 <= existing 0.570 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1873, because occupancy 0.430 <= existing 0.570 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1875, because occupancy 0.320 <= existing 0.430 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1877, because occupancy 0.430 <= existing 0.570 in 3ejnA Skipped atom 2006, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2010, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2012, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2014, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2327, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2331, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2333, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2335, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 2337, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3034, because occupancy 0.470 <= existing 0.530 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3038, because occupancy 0.470 <= existing 0.530 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3040, because occupancy 0.470 <= existing 0.530 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3042, because occupancy 0.350 <= existing 0.400 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3044, because occupancy 0.470 <= existing 0.530 in 3ejnA Skipped atom 3261, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3265, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3267, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3269, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3271, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3285, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3289, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3291, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3293, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3295, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3297, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3299, because occupancy 0.500 <= existing 0.500 in 3ejnA Skipped atom 3301, because occupancy 0.500 <= existing 0.500 in 3ejnA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0532 read from 3ejnA/T0532-3ejnA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3ejnA read from 3ejnA/T0532-3ejnA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3ejnA to template set # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVG T0532 213 :DLKVKERFAR 3ejnA 210 :IASEFKNIAT T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3ejnA 220 :NSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEE 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYA T0532 394 :HPITEEAIAAFLETPAIQLS 3ejnA 380 :GYLNENAVAQYLKEPLVDFT T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWI 3ejnA 476 :GNDKINQATWW Number of specific fragments extracted= 12 number of extra gaps= 0 total=244 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_170227913.pdb -s /var/tmp/to_scwrl_170227913.seq -o /var/tmp/from_scwrl_170227913.pdb > /var/tmp/scwrl_170227913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_170227913.pdb Number of alignments=11 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3gzsA/T0532-3gzsA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3gzsA/T0532-3gzsA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3gzsA read from 3gzsA/T0532-3gzsA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEPVNRYQIG T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMV T0532 91 :TTLINAQKMVESV 3gzsA 126 :DVYSPWMQIKRIS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWI 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWW Number of specific fragments extracted= 14 number of extra gaps= 0 total=258 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_301484393.pdb -s /var/tmp/to_scwrl_301484393.seq -o /var/tmp/from_scwrl_301484393.pdb > /var/tmp/scwrl_301484393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301484393.pdb Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3ehmA/T0532-3ehmA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3ehmA/T0532-3ehmA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3ehmA read from 3ehmA/T0532-3ehmA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3ehmA in template set T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNT T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 69 :NNWGFNNEANWNFTDSRMNYAY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFE 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNSKSKSET T0532 323 :QYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 320 :SYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNP T0532 488 :LERQFGGVDDVNKLMWI 3ehmA 503 :IPTLLGGGDIGATKLWW Number of specific fragments extracted= 13 number of extra gaps= 0 total=271 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1949700253.pdb -s /var/tmp/to_scwrl_1949700253.seq -o /var/tmp/from_scwrl_1949700253.pdb > /var/tmp/scwrl_1949700253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1949700253.pdb Number of alignments=13 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3fdhA/T0532-3fdhA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3fdhA expands to /projects/compbio/data/pdb/3fdh.pdb.gz 3fdhA:Skipped atom 27, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 31, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 33, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 35, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 37, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 39, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 41, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 43, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 108, because occupancy 0.300 <= existing 0.700 in 3fdhA Skipped atom 112, because occupancy 0.300 <= existing 0.700 in 3fdhA Skipped atom 114, because occupancy 0.300 <= existing 0.700 in 3fdhA Skipped atom 322, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 326, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 328, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 330, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 332, because occupancy 0.500 <= existing 0.500 in 3fdhA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1458, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1462, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1464, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1515, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1519, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1521, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1523, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1525, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1527, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1587, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1591, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1593, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1595, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1597, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 1599, because occupancy 0.500 <= existing 0.500 in 3fdhA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2532, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 2536, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 2538, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 2540, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 2542, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 2544, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 2546, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 2548, because occupancy 0.500 <= existing 0.500 in 3fdhA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3271, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 3275, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 3277, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 3279, because occupancy 0.500 <= existing 0.500 in 3fdhA Skipped atom 3281, because occupancy 0.500 <= existing 0.500 in 3fdhA # T0532 read from 3fdhA/T0532-3fdhA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3fdhA read from 3fdhA/T0532-3fdhA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3fdhA to template set # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDAD 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKS T0532 215 :KVKERFARIVA 3fdhA 239 :ADYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEG 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRS T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 315 :QVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETP 3fdhA 406 :TNSSEVITETSAGKYFDDV T0532 411 :QLSGEKEADIEKILTQRYLASFMQ 3fdhA 425 :VKAKYAANPLQETMIQKYLAMWGA T0532 436 :P 3fdhA 449 :S T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPE T0532 487 :ALERQFGGVDDVNKLMWI 3fdhA 498 :VKAAYGNGDYVYSEPVWW Number of specific fragments extracted= 16 number of extra gaps= 0 total=287 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_248382146.pdb -s /var/tmp/to_scwrl_248382146.seq -o /var/tmp/from_scwrl_248382146.pdb > /var/tmp/scwrl_248382146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_248382146.pdb Number of alignments=14 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3kezA/T0532-3kezA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3kezA/T0532-3kezA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3kezA read from 3kezA/T0532-3kezA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKES 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 236 :ALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEE 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEGKTLT T0532 420 :IEKILTQRYLASFM 3kezA 402 :LENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANP Number of specific fragments extracted= 17 number of extra gaps= 2 total=304 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1259901418.pdb -s /var/tmp/to_scwrl_1259901418.seq -o /var/tmp/from_scwrl_1259901418.pdb > /var/tmp/scwrl_1259901418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259901418.pdb Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3i4gA/T0532-3i4gA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3i4gA/T0532-3i4gA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3i4gA read from 3i4gA/T0532-3i4gA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 70 :WGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 94 :ISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKE 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWK T0532 212 :ADLKVKERFAR 3i4gA 234 :SGAKAFHDIME T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 245 :LGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGE 3i4gA 363 :KKEKLDYTSEASRTGFMMRKYFEESTPINDVQSAN T0532 339 :PVVRLGYAEQNFILAEAAVRGWIS 3i4gA 399 :LTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASA 3i4gA 425 :QGILD T0532 371 :KAIRAHMEFIASNT 3i4gA 430 :ETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 456 :AT 3i4gA 512 :GN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINP Number of specific fragments extracted= 15 number of extra gaps= 0 total=319 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1486400565.pdb -s /var/tmp/to_scwrl_1486400565.seq -o /var/tmp/from_scwrl_1486400565.pdb > /var/tmp/scwrl_1486400565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486400565.pdb Number of alignments=16 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3jq1A/T0532-3jq1A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3jq1A/T0532-3jq1A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3jq1A read from 3jq1A/T0532-3jq1A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 186 :SISKWKKATTAFQLKVLMHLSKKES 3jq1A 206 :IGKPTQGAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 231 :AINVLEPLTQNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGV 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQ T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3jq1A 349 :RPFREVFAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRA T0532 378 :E 3jq1A 424 :N T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq1A 425 :LNDYSGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 458 :NRNTMNDRLPMRWMYPKSESDYN 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTN Number of specific fragments extracted= 11 number of extra gaps= 0 total=330 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1049913796.pdb -s /var/tmp/to_scwrl_1049913796.seq -o /var/tmp/from_scwrl_1049913796.pdb > /var/tmp/scwrl_1049913796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1049913796.pdb Number of alignments=17 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3jq0A/T0532-3jq0A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3jq0A/T0532-3jq0A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3jq0A read from 3jq0A/T0532-3jq0A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 184 :GGSISKWKKATTAFQLKVLMHLS 3jq0A 206 :LGRHFWSAAATQMLKGEAYLWSG T0532 207 :KKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 231 :MNGGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAK 3jq0A 340 :FRNNDTRWTTSLKAVYKK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jq0A 358 :DAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGED T0532 365 :ASAYYKKAIRAHME 3jq0A 413 :PTEEINAVRERAYG T0532 379 :FIASNTPDEEVYHH 3jq0A 429 :YFNEHKAEIAYPND T0532 396 :ITEEAIAAFLETPAIQLS 3jq0A 443 :NDPEFYTDNKWMKPDNAG T0532 419 :DIEKILTQRYLASFM 3jq0A 461 :ALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGY 3jq0A 476 :EGKRWYDIRLLGW T0532 461 :TMNDRLPMRWMYPKSESDYN 3jq0A 495 :SSAEQSRLLWPIDAGTLTNN Number of specific fragments extracted= 14 number of extra gaps= 0 total=344 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_100722926.pdb -s /var/tmp/to_scwrl_100722926.seq -o /var/tmp/from_scwrl_100722926.pdb > /var/tmp/scwrl_100722926.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100722926.pdb Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3l22A/T0532-3l22A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 3l22A expands to /projects/compbio/data/pdb/3l22.pdb.gz 3l22A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 336, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 340, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 342, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 344, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 346, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 371, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 375, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 377, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 379, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 381, because occupancy 0.500 <= existing 0.500 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 712, because occupancy 0.300 <= existing 0.700 in 3l22A Skipped atom 716, because occupancy 0.300 <= existing 0.700 in 3l22A Skipped atom 718, because occupancy 0.300 <= existing 0.700 in 3l22A Skipped atom 720, because occupancy 0.300 <= existing 0.700 in 3l22A Skipped atom 722, because occupancy 0.300 <= existing 0.700 in 3l22A Skipped atom 724, because occupancy 0.300 <= existing 0.700 in 3l22A Skipped atom 772, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 776, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 778, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 780, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 782, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 784, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 1171, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 1175, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 1177, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 1179, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 1181, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 1183, because occupancy 0.500 <= existing 0.500 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1264, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 1268, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 1270, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 1272, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 1274, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 1276, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 1374, because occupancy 0.250 <= existing 0.750 in 3l22A Skipped atom 1378, because occupancy 0.250 <= existing 0.750 in 3l22A Skipped atom 1380, because occupancy 0.250 <= existing 0.750 in 3l22A Skipped atom 1382, because occupancy 0.250 <= existing 0.750 in 3l22A Skipped atom 1384, because occupancy 0.250 <= existing 0.750 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2033, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 2037, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 2039, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 2041, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 2043, because occupancy 0.400 <= existing 0.600 in 3l22A Skipped atom 2045, because occupancy 0.400 <= existing 0.600 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2230, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2234, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2236, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2238, because occupancy 0.500 <= existing 0.500 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2407, because occupancy 0.250 <= existing 0.750 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2411, because occupancy 0.250 <= existing 0.750 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2413, because occupancy 0.250 <= existing 0.750 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2415, because occupancy 0.190 <= existing 0.560 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2417, because occupancy 0.250 <= existing 0.750 in 3l22A Skipped atom 2725, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2729, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2731, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2750, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2754, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2756, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2758, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2760, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 2762, because occupancy 0.500 <= existing 0.500 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3119, because occupancy 0.250 <= existing 0.750 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3123, because occupancy 0.250 <= existing 0.750 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3125, because occupancy 0.250 <= existing 0.750 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3127, because occupancy 0.190 <= existing 0.560 in 3l22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3129, because occupancy 0.250 <= existing 0.750 in 3l22A Skipped atom 3167, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3171, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3173, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3175, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3177, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3179, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3181, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3232, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3236, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3238, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3240, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3242, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3292, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3296, because occupancy 0.500 <= existing 0.500 in 3l22A Skipped atom 3298, because occupancy 0.500 <= existing 0.500 in 3l22A # T0532 read from 3l22A/T0532-3l22A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3l22A read from 3l22A/T0532-3l22A-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # adding 3l22A to template set # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 106 :DNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 134 :ENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDL 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDL T0532 172 :ST 3l22A 203 :EN T0532 175 :KDFDG 3l22A 211 :EVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDK T0532 220 :FARIVASGSLMESNEDNLQMKYADKAN 3l22A 243 :AITAGELVTGYSLPEDVTLIYKAPYFS T0532 248 :VYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 270 :QESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 283 :YAKPAKAK 3l22A 299 :IMLIDTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLNI T0532 412 :LSGEKEADIEKILTQRYLASFM 3l22A 393 :DNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYN 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLN Number of specific fragments extracted= 14 number of extra gaps= 0 total=358 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2081244641.pdb -s /var/tmp/to_scwrl_2081244641.seq -o /var/tmp/from_scwrl_2081244641.pdb > /var/tmp/scwrl_2081244641.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2081244641.pdb Number of alignments=19 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3ihvA/T0532-3ihvA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3ihvA/T0532-3ihvA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3ihvA read from 3ihvA/T0532-3ihvA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3ihvA in template set T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 34 :NYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNA 3ihvA 128 :TTTDKKL T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 138 :YIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 173 :TAKDFD 3ihvA 204 :DDQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFAR 3ihvA 238 :DESKWEAAAKTARI T0532 224 :VASGSLMESNEDN 3ihvA 252 :LVESGKHGLLKDY T0532 266 :TMLIDKF 3ihvA 265 :EQLWKNT T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 273 :NGTWDPTESLIEISFYSPTVSGNSDPVGR T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 385 :KQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSAC T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3ihvA 463 :DLPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYP 3ihvA 488 :EGHRRQDLIRWGIY T0532 481 :LEHQNEALERQ 3ihvA 502 :YKTVQATAKEL T0532 492 :FGGVDD 3ihvA 516 :WEGTGS Number of specific fragments extracted= 17 number of extra gaps= 0 total=375 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1228329534.pdb -s /var/tmp/to_scwrl_1228329534.seq -o /var/tmp/from_scwrl_1228329534.pdb > /var/tmp/scwrl_1228329534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228329534.pdb Number of alignments=20 # command:# reading script from file T0532.undertaker-align.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 3cghA/T0532-3cghA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3cghA/T0532-3cghA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3cghA read from 3cghA/T0532-3cghA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLLGGPL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWI 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWW Number of specific fragments extracted= 18 number of extra gaps= 5 total=393 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1671732523.pdb -s /var/tmp/to_scwrl_1671732523.seq -o /var/tmp/from_scwrl_1671732523.pdb > /var/tmp/scwrl_1671732523.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1671732523.pdb Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3gzsA/T0532-3gzsA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3gzsA/T0532-3gzsA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3gzsA read from 3gzsA/T0532-3gzsA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEPVNRYQIG T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMV T0532 91 :TTLINAQKMVESV 3gzsA 126 :DVYSPWMQIKRIS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWI 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWW Number of specific fragments extracted= 14 number of extra gaps= 0 total=407 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1388281404.pdb -s /var/tmp/to_scwrl_1388281404.seq -o /var/tmp/from_scwrl_1388281404.pdb > /var/tmp/scwrl_1388281404.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1388281404.pdb Number of alignments=22 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3ehmA/T0532-3ehmA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3ehmA/T0532-3ehmA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3ehmA read from 3ehmA/T0532-3ehmA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3ehmA in template set T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNT T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 69 :NNWGFNNEANWNFTDSRMNYAY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFE 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNSKSKSET T0532 323 :QYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 320 :SYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNP T0532 488 :LERQFGGVDDVNKLMWI 3ehmA 503 :IPTLLGGGDIGATKLWW Number of specific fragments extracted= 13 number of extra gaps= 0 total=420 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_142958482.pdb -s /var/tmp/to_scwrl_142958482.seq -o /var/tmp/from_scwrl_142958482.pdb > /var/tmp/scwrl_142958482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_142958482.pdb Number of alignments=23 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3kezA/T0532-3kezA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3kezA/T0532-3kezA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3kezA read from 3kezA/T0532-3kezA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 178 :IDSKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAK 3kezA 321 :DVRLKILSFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=445 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1046446614.pdb -s /var/tmp/to_scwrl_1046446614.seq -o /var/tmp/from_scwrl_1046446614.pdb > /var/tmp/scwrl_1046446614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046446614.pdb Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3i4gA/T0532-3i4gA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3i4gA/T0532-3i4gA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3i4gA read from 3i4gA/T0532-3i4gA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLL 3i4gA 34 :TFWNSESNAELALTSLYR T0532 48 :DIT 3i4gA 53 :SLT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSL 3i4gA 364 :KEKLDYTSEA T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAH 3i4gA 435 :VRGR T0532 377 :MEFIASN 3i4gA 441 :VNMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGY 3i4gA 472 :RYWDIMRWGI T0532 449 :PVLP 3i4gA 486 :LSQK T0532 454 :NPATNRNTMN 3i4gA 514 :YRWYVGKRAF T0532 464 :DRLPMRWMYPKSESDYNLEH 3i4gA 525 :NPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 24 number of extra gaps= 0 total=469 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_210558712.pdb -s /var/tmp/to_scwrl_210558712.seq -o /var/tmp/from_scwrl_210558712.pdb > /var/tmp/scwrl_210558712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210558712.pdb Number of alignments=25 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3ihvA/T0532-3ihvA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3ihvA/T0532-3ihvA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3ihvA read from 3ihvA/T0532-3ihvA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3ihvA in template set T0532 24 :DEINT 3ihvA 25 :ETRTE T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNA 3ihvA 128 :TTTDKKL T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 138 :YIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKF 3ihvA 320 :CAANVKVVHTFVLDW T0532 273 :KATGDIRMFYYAKP 3ihvA 336 :EDVSDIRRDLSIAN T0532 288 :KA 3ihvA 350 :YQ T0532 291 :LNEGVTADSW 3ihvA 352 :YTDTKKSLWV T0532 301 :DAYIG 3ihvA 386 :QNYTP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 391 :AKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHMEFIA 3ihvA 448 :VRRRGYGNP T0532 384 :TPDEEVYH 3ihvA 457 :SNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASF 3ihvA 465 :PQGLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGY 3ihvA 491 :RRQDLIRWGI T0532 453 :INPATNRNT 3ihvA 516 :WEGTGSPNY T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 530 :TEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 26 number of extra gaps= 0 total=495 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_447178502.pdb -s /var/tmp/to_scwrl_447178502.seq -o /var/tmp/from_scwrl_447178502.pdb > /var/tmp/scwrl_447178502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_447178502.pdb Number of alignments=26 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3fdhA/T0532-3fdhA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3fdhA/T0532-3fdhA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3fdhA read from 3fdhA/T0532-3fdhA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDAD 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKS T0532 215 :KVKERFARIVA 3fdhA 239 :ADYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEG 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRS T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 315 :QVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETP 3fdhA 406 :TNSSEVITETSAGKYFDDV T0532 411 :QLSGEKEADIEKILTQRYLASFMQ 3fdhA 425 :VKAKYAANPLQETMIQKYLAMWGA T0532 436 :P 3fdhA 449 :S T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPE T0532 487 :ALERQFGGVDDVNKLMWI 3fdhA 498 :VKAAYGNGDYVYSEPVWW Number of specific fragments extracted= 16 number of extra gaps= 0 total=511 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1495556602.pdb -s /var/tmp/to_scwrl_1495556602.seq -o /var/tmp/from_scwrl_1495556602.pdb > /var/tmp/scwrl_1495556602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495556602.pdb Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3jq1A/T0532-3jq1A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3jq1A/T0532-3jq1A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3jq1A read from 3jq1A/T0532-3jq1A-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRM 3jq1A 330 :DYRA T0532 281 :FYYAKPAKAKLNEGV 3jq1A 336 :SVAWDYEGCTYYQRP T0532 310 :LPFEQI 3jq1A 355 :FAQDKW T0532 317 :KAYATEQYSGFNAR 3jq1A 361 :KTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHPY 3jq1A 451 :VEGE T0532 439 :VYYDYRRTGY 3jq1A 455 :RFYDLRRWGL T0532 458 :NRNTMNDR 3jq1A 480 :YQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 22 number of extra gaps= 1 total=533 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1756519480.pdb -s /var/tmp/to_scwrl_1756519480.seq -o /var/tmp/from_scwrl_1756519480.pdb > /var/tmp/scwrl_1756519480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1756519480.pdb Number of alignments=28 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3jysA/T0532-3jysA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3jysA/T0532-3jysA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3jysA read from 3jysA/T0532-3jysA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDD 3jysA 146 :PES T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3jysA 150 :DKESYIAQARFNRAFAYYVLMDMFALPPFITE T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 182 :KNYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 243 :DK 3jysA 319 :AH T0532 253 :NTN 3jysA 321 :SGV T0532 258 :HAGYAMLSTMLIDKF 3jysA 326 :GWAGFRATSNLVHLF T0532 274 :ATG 3jysA 344 :NDE T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPD 3jysA 441 :LRKRAYGDDKHNIS T0532 387 :EEVY 3jysA 456 :NWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 28 number of extra gaps= 3 total=561 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2061224842.pdb -s /var/tmp/to_scwrl_2061224842.seq -o /var/tmp/from_scwrl_2061224842.pdb > /var/tmp/scwrl_2061224842.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061224842.pdb Number of alignments=29 # Reading fragments from alignment file # Attempting to read fragment alignments from file 3hdxA/T0532-3hdxA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0532 read from 3hdxA/T0532-3hdxA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # 3hdxA read from 3hdxA/T0532-3hdxA-t04-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)N328 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 87 :FGG 3hdxA 109 :WRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLM 3hdxA 263 :EIN T0532 231 :ESNEDNL 3hdxA 269 :TSIADLT T0532 245 :ANTVYPFHNTNTKHAGYAMLSTM 3hdxA 310 :LEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMF 3hdxA 334 :LFSIFTNFDDLRFG T0532 294 :GVTADSWDAYIGTDPSL 3hdxA 348 :IIDTIKYSSYYVQNLNE T0532 317 :KAYATEQYSGF 3hdxA 365 :ETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRT 3hdxA 464 :RWYDLVRR T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 20 number of extra gaps= 0 total=581 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1923823294.pdb -s /var/tmp/to_scwrl_1923823294.seq -o /var/tmp/from_scwrl_1923823294.pdb > /var/tmp/scwrl_1923823294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1923823294.pdb Number of alignments=30 # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 30 alignments, # shrinking each end by up to 0.000*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 31: T0532.try1-al1+T0532-3gzsA-t2k-local-str2+near-backbone-11-0.8+0.6+0.8-adpstyle5.a2m:3gzsA at pool[21] 257.377 cost/residue, 1424 clashes 0.188 breaks # command:# naming current conformation T0532.try1-al2 # command:# Reading fragments from alignment file # Attempting to read fragment alignments from file all-align.a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1e96B expands to /projects/compbio/data/pdb/1e96.pdb.gz 1e96B:# T0532 read from all-align.a2m # 1e96B read from all-align.a2m # adding 1e96B to template set # found chain 1e96B in template set T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 1e96B 52 :NMTEAEKAFTRSINRDKHLAVAYFQRGMLYYQ T0532 394 :HPITEEAIAAFLETPAIQ 1e96B 84 :TEKYDLAIKDLKEALIQL T0532 414 :GEKEA 1e96B 102 :RGNQL T0532 419 :DIEKILTQRYLASF 1e96B 120 :ACEVLYNIAFMYAK T0532 434 :QHPYDVYYDYRRTG 1e96B 134 :KEEWKKAEEQLALA Number of specific fragments extracted= 5 number of extra gaps= 0 total=586 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2107182234.pdb -s /var/tmp/to_scwrl_2107182234.seq -o /var/tmp/from_scwrl_2107182234.pdb > /var/tmp/scwrl_2107182234.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2107182234.pdb Number of alignments=31 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 139 :LQGELGLVR 1e96B 64 :INRDKHLAV T0532 148 :PKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPIL 1e96B 121 :CEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPRH Number of specific fragments extracted= 2 number of extra gaps= 0 total=588 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_963517221.pdb -s /var/tmp/to_scwrl_963517221.seq -o /var/tmp/from_scwrl_963517221.pdb > /var/tmp/scwrl_963517221.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963517221.pdb Number of alignments=32 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 1 :MKRINKYISLLLATALLASCDK 1e96B 64 :INRDKHLAVAYFQRGMLYYQTE T0532 471 :MYPKSESDYN 1e96B 86 :KYDLAIKDLK T0532 481 :LEHQNEALERQFGGVDDVNKLMWILQ 1e96B 141 :EEQLALATSMKSEPRHSKIDKAMECV Number of specific fragments extracted= 3 number of extra gaps= 0 total=591 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_709182586.pdb -s /var/tmp/to_scwrl_709182586.seq -o /var/tmp/from_scwrl_709182586.pdb > /var/tmp/scwrl_709182586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709182586.pdb Number of alignments=33 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 1 :MKRINKYISLL 1e96B 19 :KKDWKGALDAF T0532 471 :MYPKSESDYN 1e96B 86 :KYDLAIKDLK T0532 481 :LEHQNEALERQFGGVDDVNKLMWILQ 1e96B 141 :EEQLALATSMKSEPRHSKIDKAMECV Number of specific fragments extracted= 3 number of extra gaps= 0 total=594 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_913651172.pdb -s /var/tmp/to_scwrl_913651172.seq -o /var/tmp/from_scwrl_913651172.pdb > /var/tmp/scwrl_913651172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_913651172.pdb Number of alignments=34 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 87 :FGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYK 1e96B 50 :LKNMTEAEKAFTRSINRDKHLAVAYFQRGMLYYQTE T0532 163 :DLETAYELFSTAKDFDGDP 1e96B 86 :KYDLAIKDLKEALIQLRGN T0532 182 :ILGGSISKWKKATTAFQ 1e96B 129 :FMYAKKEEWKKAEEQLA Number of specific fragments extracted= 3 number of extra gaps= 0 total=597 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_711522839.pdb -s /var/tmp/to_scwrl_711522839.seq -o /var/tmp/from_scwrl_711522839.pdb > /var/tmp/scwrl_711522839.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711522839.pdb Number of alignments=35 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 103 :VSDDNVNAYDGLAHFIKAYK 1e96B 66 :RDKHLAVAYFQRGMLYYQTE T0532 156 :VMNFILSDLETAYELFSTAKDFDGDPI 1e96B 129 :FMYAKKEEWKKAEEQLALATSMKSEPR Number of specific fragments extracted= 2 number of extra gaps= 0 total=599 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1800238396.pdb -s /var/tmp/to_scwrl_1800238396.seq -o /var/tmp/from_scwrl_1800238396.pdb > /var/tmp/scwrl_1800238396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1800238396.pdb Number of alignments=36 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 189 :KWKKATTAFQLKVLMHLSKKESDAD 1e96B 136 :EWKKAEEQLALATSMKSEPRHSKID Number of specific fragments extracted= 1 number of extra gaps= 0 total=600 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1796416123.pdb -s /var/tmp/to_scwrl_1796416123.seq -o /var/tmp/from_scwrl_1796416123.pdb > /var/tmp/scwrl_1796416123.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1796416123.pdb Number of alignments=37 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 187 :ISKWKKATTAFQLKVLMH 1e96B 134 :KEEWKKAEEQLALATSMK Number of specific fragments extracted= 1 number of extra gaps= 0 total=601 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)N328 because last residue in template chain is (1e96B)N186 T0532 23 :FDEINT 1e96B 3 :LVEAIS T0532 29 :DPDATTKVT 1e96B 19 :KKDWKGALD T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1e96B 40 :CFNIGCMYTILKNM T0532 106 :DNVNAYDGLAHFIKAYKIFY 1e96B 64 :INRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1e96B 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1e96B 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1e96B 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGT 1e96B 170 :KLYEPV T0532 318 :AYATEQYSGF 1e96B 176 :VIPVGKLFRP Number of specific fragments extracted= 12 number of extra gaps= 0 total=613 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_59812966.pdb -s /var/tmp/to_scwrl_59812966.seq -o /var/tmp/from_scwrl_59812966.pdb > /var/tmp/scwrl_59812966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59812966.pdb Number of alignments=38 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)S55 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)N328 because last residue in template chain is (1e96B)N186 T0532 56 :KSFIYDELLAKQMAWGESMEDYQY 1e96B 3 :LVEAISLWNEGVLAADKKDWKGAL T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1e96B 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1e96B 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDGDP 1e96B 83 :QTEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 216 :VKERFARI 1e96B 137 :WKKAEEQL T0532 228 :SLMES 1e96B 145 :ALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1e96B 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIG 1e96B 170 :KLYEP T0532 317 :KAYATEQYSGF 1e96B 175 :VVIPVGKLFRP Number of specific fragments extracted= 12 number of extra gaps= 0 total=625 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1097855625.pdb -s /var/tmp/to_scwrl_1097855625.seq -o /var/tmp/from_scwrl_1097855625.pdb > /var/tmp/scwrl_1097855625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1097855625.pdb Number of alignments=39 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)T425 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLAT 1e96B 3 :LVEAISLWNEGV T0532 29 :DPDATTKVTS 1e96B 19 :KKDWKGALDA T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1e96B 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1e96B 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 216 :VKERFARIV 1e96B 137 :WKKAEEQLA T0532 229 :LMES 1e96B 146 :LATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1e96B 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIG 1e96B 170 :KLYEP T0532 317 :KAYATEQYSGF 1e96B 175 :VVIPVGKLFRP Number of specific fragments extracted= 13 number of extra gaps= 0 total=638 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_905248729.pdb -s /var/tmp/to_scwrl_905248729.seq -o /var/tmp/from_scwrl_905248729.pdb > /var/tmp/scwrl_905248729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_905248729.pdb Number of alignments=40 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)N328 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 25 :E 1e96B 18 :D T0532 35 :KVTSS 1e96B 19 :KKDWK T0532 41 :LATGLLLDITSSSASKS 1e96B 24 :GALDAFSAVQDPHSRIC T0532 91 :TTLINAQKMVESVSDDNVN 1e96B 41 :FNIGCMYTILKNMTEAEKA T0532 110 :AYDGLAHFIKAYKIFY 1e96B 68 :KHLAVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDA 1e96B 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1e96B 140 :AEEQLALATSMK T0532 259 :AGYAMLSTMLIDKFKA 1e96B 154 :PRHSKIDKAMECVWKQ T0532 301 :DAYIG 1e96B 170 :KLYEP T0532 317 :KAYATEQYSGF 1e96B 175 :VVIPVGKLFRP Number of specific fragments extracted= 14 number of extra gaps= 0 total=652 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1497200698.pdb -s /var/tmp/to_scwrl_1497200698.seq -o /var/tmp/from_scwrl_1497200698.pdb > /var/tmp/scwrl_1497200698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497200698.pdb Number of alignments=41 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)N328 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 22 :KFDE 1e96B 18 :DKKD T0532 38 :SS 1e96B 22 :WK T0532 41 :LATGLLL 1e96B 24 :GALDAFS T0532 82 :FGRSGFGG 1e96B 31 :AVQDPHSR T0532 90 :YTTLINAQKMVESV 1e96B 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1e96B 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1e96B 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGT 1e96B 170 :KLYEPV T0532 318 :AYATEQYSGF 1e96B 176 :VIPVGKLFRP Number of specific fragments extracted= 15 number of extra gaps= 0 total=667 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_102533911.pdb -s /var/tmp/to_scwrl_102533911.seq -o /var/tmp/from_scwrl_102533911.pdb > /var/tmp/scwrl_102533911.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_102533911.pdb Number of alignments=42 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)R465 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 22 :K 1e96B 18 :D T0532 35 :KVTSSLL 1e96B 19 :KKDWKGA T0532 43 :TGLLLDITSSS 1e96B 26 :LDAFSAVQDPH T0532 88 :GG 1e96B 37 :SR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVA 1e96B 138 :KKAEEQLALATS T0532 274 :ATGDIRMF 1e96B 150 :MKSEPRHS T0532 415 :EKEADIEKILTQRY 1e96B 158 :KIDKAMECVWKQKL T0532 434 :QHPY 1e96B 172 :YEPV T0532 455 :PATNRNTMND 1e96B 176 :VIPVGKLFRP Number of specific fragments extracted= 16 number of extra gaps= 0 total=683 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1654581654.pdb -s /var/tmp/to_scwrl_1654581654.seq -o /var/tmp/from_scwrl_1654581654.pdb > /var/tmp/scwrl_1654581654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1654581654.pdb Number of alignments=43 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)N328 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 22 :K 1e96B 18 :D T0532 26 :I 1e96B 19 :K T0532 33 :TT 1e96B 20 :KD T0532 38 :SSL 1e96B 22 :WKG T0532 42 :ATGLLL 1e96B 25 :ALDAFS T0532 82 :FGRSGFGG 1e96B 31 :AVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAY 1e96B 40 :CFNIGCMYTILKNMTEAEKAFT T0532 112 :DGLAHFIKAYKIFY 1e96B 70 :LAVAYFQRGMLYYQ T0532 137 :E 1e96B 84 :T T0532 155 :EVMNFILSDLETAYELFSTAKDFDGDP 1e96B 85 :EKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1e96B 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1e96B 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGT 1e96B 170 :KLYEPV T0532 318 :AYATEQYSGF 1e96B 176 :VIPVGKLFRP Number of specific fragments extracted= 17 number of extra gaps= 0 total=700 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1574661479.pdb -s /var/tmp/to_scwrl_1574661479.seq -o /var/tmp/from_scwrl_1574661479.pdb > /var/tmp/scwrl_1574661479.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574661479.pdb Number of alignments=44 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)R459 because last residue in template chain is (1e96B)N186 T0532 3 :R 1e96B 3 :L T0532 24 :DEINT 1e96B 4 :VEAIS T0532 29 :DPDATTKVTSSLLAT 1e96B 13 :GVLAADKKDWKGALD T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNV 1e96B 40 :CFNIGCMYTILKNMTEAEK T0532 109 :NAYDGLAHFIKAYKIFY 1e96B 67 :DKHLAVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMH 1e96B 119 :FACEVLYNIAFMY T0532 357 :VRGWISGDASAYYKK 1e96B 132 :AKKEEWKKAEEQLAL T0532 373 :IRAHMEFIA 1e96B 147 :ATSMKSEPR T0532 413 :SGEKEADIEKILTQRYLASF 1e96B 156 :HSKIDKAMECVWKQKLYEPV T0532 434 :QHPY 1e96B 176 :VIPV T0532 447 :GYPVL 1e96B 180 :GKLFR T0532 458 :N 1e96B 185 :P Number of specific fragments extracted= 16 number of extra gaps= 0 total=716 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_201175503.pdb -s /var/tmp/to_scwrl_201175503.seq -o /var/tmp/from_scwrl_201175503.pdb > /var/tmp/scwrl_201175503.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201175503.pdb Number of alignments=45 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)N328 because last residue in template chain is (1e96B)N186 T0532 3 :RINK 1e96B 6 :AISL T0532 32 :ATTKVTSSLLA 1e96B 19 :KKDWKGALDAF T0532 47 :LDITSSSASKSFIYD 1e96B 30 :SAVQDPHSRICFNIG T0532 67 :QMAWGE 1e96B 45 :CMYTIL T0532 88 :GG 1e96B 51 :KN T0532 90 :YTTLINAQKMVESV 1e96B 54 :TEAEKAFTRSINRD T0532 111 :YDGLAHFIKAYKIFY 1e96B 69 :HLAVAYFQRGMLYYQ T0532 143 :LGL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSK 1e96B 119 :FACEVLYNIAFMYAKK T0532 211 :DADLKVKERFARIVASG 1e96B 135 :EEWKKAEEQLALATSMK T0532 260 :GYAMLSTMLIDKF 1e96B 154 :PRHSKIDKAMECV T0532 274 :ATG 1e96B 167 :WKQ T0532 301 :DAYIGTDPS 1e96B 170 :KLYEPVVIP T0532 321 :TEQYSGF 1e96B 179 :VGKLFRP Number of specific fragments extracted= 16 number of extra gaps= 0 total=732 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1090506030.pdb -s /var/tmp/to_scwrl_1090506030.seq -o /var/tmp/from_scwrl_1090506030.pdb > /var/tmp/scwrl_1090506030.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090506030.pdb Number of alignments=46 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)L466 because last residue in template chain is (1e96B)N186 T0532 35 :KVTSSLLATGLLLDITS 1e96B 3 :LVEAISLWNEGVLAADK T0532 85 :SGFG 1e96B 20 :KDWK T0532 95 :NAQKMVESV 1e96B 24 :GALDAFSAV T0532 104 :S 1e96B 36 :H T0532 113 :GLAHFIKAYKIFYM 1e96B 37 :SRICFNIGCMYTIL T0532 151 :NTQKEV 1e96B 51 :KNMTEA T0532 161 :LSDLETAYEL 1e96B 57 :EKAFTRSINR T0532 184 :GGSI 1e96B 67 :DKHL T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 71 :AVAYFQRGMLYYQTEKYDL T0532 216 :VKERFARIVA 1e96B 90 :AIKDLKEALI T0532 226 :SG 1e96B 102 :RG T0532 301 :DAYIGTDP 1e96B 104 :NQLIDYKI T0532 317 :KAYATEQY 1e96B 112 :LGLQFKLF T0532 345 :YAEQNFILAEAAVRGWISGDASAYYKK 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQLAL T0532 373 :IRAH 1e96B 147 :ATSM T0532 384 :TPDEEVYH 1e96B 151 :KSEPRHSK T0532 416 :KEADIEKILT 1e96B 159 :IDKAMECVWK T0532 430 :ASF 1e96B 169 :QKL T0532 434 :QHPY 1e96B 172 :YEPV T0532 455 :PA 1e96B 176 :VI T0532 458 :NRNTMNDR 1e96B 178 :PVGKLFRP Number of specific fragments extracted= 21 number of extra gaps= 0 total=753 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1141061698.pdb -s /var/tmp/to_scwrl_1141061698.seq -o /var/tmp/from_scwrl_1141061698.pdb > /var/tmp/scwrl_1141061698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1141061698.pdb Number of alignments=47 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)N328 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 22 :K 1e96B 18 :D T0532 35 :KVTSSLLA 1e96B 19 :KKDWKGAL T0532 44 :GLLL 1e96B 27 :DAFS T0532 82 :FGRSGFGG 1e96B 31 :AVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1e96B 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1e96B 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGT 1e96B 170 :KLYEPV T0532 318 :AYATEQYSGF 1e96B 176 :VIPVGKLFRP Number of specific fragments extracted= 15 number of extra gaps= 0 total=768 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_108360253.pdb -s /var/tmp/to_scwrl_108360253.seq -o /var/tmp/from_scwrl_108360253.pdb > /var/tmp/scwrl_108360253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_108360253.pdb Number of alignments=48 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)R465 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 22 :K 1e96B 18 :D T0532 35 :KVTSSL 1e96B 19 :KKDWKG T0532 42 :ATGLL 1e96B 25 :ALDAF T0532 81 :VFGRSGFGG 1e96B 30 :SAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1e96B 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFY 1e96B 150 :MKSEPRHSK T0532 362 :SGDASAYYKK 1e96B 159 :IDKAMECVWK T0532 426 :QR 1e96B 169 :QK T0532 433 :MQHPY 1e96B 171 :LYEPV T0532 455 :PATNRNTMND 1e96B 176 :VIPVGKLFRP Number of specific fragments extracted= 17 number of extra gaps= 0 total=785 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_817105982.pdb -s /var/tmp/to_scwrl_817105982.seq -o /var/tmp/from_scwrl_817105982.pdb > /var/tmp/scwrl_817105982.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_817105982.pdb Number of alignments=49 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1e96B 40 :CFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFY 1e96B 65 :NRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1e96B 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1e96B 137 :WKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1e96B 154 :PRHSKIDKAM Number of specific fragments extracted= 8 number of extra gaps= 0 total=793 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_149200557.pdb -s /var/tmp/to_scwrl_149200557.seq -o /var/tmp/from_scwrl_149200557.pdb > /var/tmp/scwrl_149200557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149200557.pdb Number of alignments=50 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 67 :QMAWGESMEDYQY 1e96B 5 :EAISLWNEGVLAA T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1e96B 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1e96B 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDGDP 1e96B 83 :QTEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDADL 1e96B 118 :LFACEVLYNIAFMYAKKEEWKKA Number of specific fragments extracted= 7 number of extra gaps= 0 total=800 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1969008022.pdb -s /var/tmp/to_scwrl_1969008022.seq -o /var/tmp/from_scwrl_1969008022.pdb > /var/tmp/scwrl_1969008022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1969008022.pdb Number of alignments=51 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1e96B 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1e96B 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDAD 1e96B 118 :LFACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1e96B 140 :AEEQLALATSMK T0532 231 :ESNEDN 1e96B 157 :SKIDKA Number of specific fragments extracted= 8 number of extra gaps= 0 total=808 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_369827860.pdb -s /var/tmp/to_scwrl_369827860.seq -o /var/tmp/from_scwrl_369827860.pdb > /var/tmp/scwrl_369827860.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_369827860.pdb Number of alignments=52 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESDA 1e96B 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1e96B 140 :AEEQLALATSMK T0532 228 :SLMESNEDN 1e96B 154 :PRHSKIDKA Number of specific fragments extracted= 9 number of extra gaps= 0 total=817 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1113718776.pdb -s /var/tmp/to_scwrl_1113718776.seq -o /var/tmp/from_scwrl_1113718776.pdb > /var/tmp/scwrl_1113718776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1113718776.pdb Number of alignments=53 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVN 1e96B 40 :CFNIGCMYTILKNMTEAEKA T0532 110 :AYDGLAHFIKAYKIFY 1e96B 68 :KHLAVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1e96B 137 :WKKAEEQLALATSMK T0532 228 :SLMESNEDN 1e96B 154 :PRHSKIDKA Number of specific fragments extracted= 9 number of extra gaps= 0 total=826 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1399843327.pdb -s /var/tmp/to_scwrl_1399843327.seq -o /var/tmp/from_scwrl_1399843327.pdb > /var/tmp/scwrl_1399843327.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399843327.pdb Number of alignments=54 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)S265 because last residue in template chain is (1e96B)N186 T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1e96B 138 :KKAEEQLALATSMK T0532 228 :SLMESNEDNL 1e96B 153 :EPRHSKIDKA T0532 254 :TNTKHAGYAML 1e96B 175 :VVIPVGKLFRP Number of specific fragments extracted= 10 number of extra gaps= 0 total=836 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1069513086.pdb -s /var/tmp/to_scwrl_1069513086.seq -o /var/tmp/from_scwrl_1069513086.pdb > /var/tmp/scwrl_1069513086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069513086.pdb Number of alignments=55 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)S265 because last residue in template chain is (1e96B)N186 T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAY 1e96B 40 :CFNIGCMYTILKNMTEAEKAFT T0532 112 :DGLAHFIKAYKIFY 1e96B 70 :LAVAYFQRGMLYYQ T0532 137 :E 1e96B 84 :T T0532 155 :EVMNFILSDLETAYELFSTAKDFDGDP 1e96B 85 :EKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1e96B 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1e96B 137 :WKKAEEQLALATSMK T0532 228 :SLMES 1e96B 154 :PRHSK T0532 234 :ED 1e96B 159 :ID T0532 240 :KYADKANTVYPFHNTNTKHAGYAML 1e96B 161 :KAMECVWKQKLYEPVVIPVGKLFRP Number of specific fragments extracted= 11 number of extra gaps= 0 total=847 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1628497534.pdb -s /var/tmp/to_scwrl_1628497534.seq -o /var/tmp/from_scwrl_1628497534.pdb > /var/tmp/scwrl_1628497534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628497534.pdb Number of alignments=56 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNV 1e96B 40 :CFNIGCMYTILKNMTEAEK T0532 109 :NAYDGLAHFIKAYKIFY 1e96B 67 :DKHLAVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESDA 1e96B 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVA 1e96B 140 :AEEQLALATS T0532 228 :SLMESNEDNL 1e96B 154 :PRHSKIDKAM Number of specific fragments extracted= 9 number of extra gaps= 0 total=856 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_925002401.pdb -s /var/tmp/to_scwrl_925002401.seq -o /var/tmp/from_scwrl_925002401.pdb > /var/tmp/scwrl_925002401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_925002401.pdb Number of alignments=57 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 143 :LGL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSK 1e96B 119 :FACEVLYNIAFMYAKK T0532 211 :DADLKVKERFARIVASG 1e96B 135 :EEWKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1e96B 154 :PRHSKIDKAM T0532 242 :ADKANTVYPFHNTN 1e96B 166 :VWKQKLYEPVVIPV T0532 259 :AGYAML 1e96B 180 :GKLFRP Number of specific fragments extracted= 11 number of extra gaps= 0 total=867 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1181782620.pdb -s /var/tmp/to_scwrl_1181782620.seq -o /var/tmp/from_scwrl_1181782620.pdb > /var/tmp/scwrl_1181782620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1181782620.pdb Number of alignments=58 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)S265 because last residue in template chain is (1e96B)N186 T0532 35 :KVTSSLLATGLLLDIT 1e96B 3 :LVEAISLWNEGVLAAD T0532 51 :SSSASKSFIYDELLA 1e96B 34 :DPHSRICFNIGCMYT T0532 70 :WGE 1e96B 49 :ILK T0532 89 :G 1e96B 52 :N T0532 90 :YTTLINAQKMVESV 1e96B 54 :TEAEKAFTRSINRD T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 143 :LG 1e96B 84 :TE T0532 152 :TQKE 1e96B 86 :KYDL T0532 160 :ILSDLETAYELFSTAKDFDGDPI 1e96B 90 :AIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1e96B 138 :KKAEEQLALATSMK T0532 229 :LMESNEDNL 1e96B 152 :SEPRHSKID T0532 238 :QMKYADKANTVYPFHNTN 1e96B 162 :AMECVWKQKLYEPVVIPV T0532 259 :AGYAML 1e96B 180 :GKLFRP Number of specific fragments extracted= 15 number of extra gaps= 0 total=882 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2073810093.pdb -s /var/tmp/to_scwrl_2073810093.seq -o /var/tmp/from_scwrl_2073810093.pdb > /var/tmp/scwrl_2073810093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073810093.pdb Number of alignments=59 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)S265 because last residue in template chain is (1e96B)N186 T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1e96B 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1e96B 138 :KKAEEQLALATSMK T0532 228 :S 1e96B 154 :P T0532 234 :EDNLQMKYADKANTVYPFHNTNTKHAGYAML 1e96B 155 :RHSKIDKAMECVWKQKLYEPVVIPVGKLFRP Number of specific fragments extracted= 10 number of extra gaps= 0 total=892 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_255620703.pdb -s /var/tmp/to_scwrl_255620703.seq -o /var/tmp/from_scwrl_255620703.pdb > /var/tmp/scwrl_255620703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255620703.pdb Number of alignments=60 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)S265 because last residue in template chain is (1e96B)N186 T0532 80 :NVFGRSGFGG 1e96B 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1e96B 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1e96B 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1e96B 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESD 1e96B 119 :FACEVLYNIAFMYAKKEEWK T0532 215 :KVKERFARIVASG 1e96B 139 :KAEEQLALATSMK T0532 228 :SLMESNEDNL 1e96B 153 :EPRHSKIDKA T0532 245 :ANTVYPFHNTNTKHAGYAML 1e96B 166 :VWKQKLYEPVVIPVGKLFRP Number of specific fragments extracted= 10 number of extra gaps= 0 total=902 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_595079593.pdb -s /var/tmp/to_scwrl_595079593.seq -o /var/tmp/from_scwrl_595079593.pdb > /var/tmp/scwrl_595079593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_595079593.pdb Number of alignments=61 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKY 1e96B 3 :LVEAI T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELL 1e96B 10 :WNEGVLAADKKDWKGALDAFSAVQDPHSRICFNIGCMYT T0532 99 :MVESV 1e96B 49 :ILKNM T0532 107 :NVNAYDGLAHFIKAYKIFY 1e96B 65 :NRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDG 1e96B 84 :TEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLM 1e96B 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPRH T0532 414 :GEKEADIEKILTQRYLASFM 1e96B 157 :SKIDKAMECVWKQKLYEPVV T0532 448 :YPVLP 1e96B 177 :IPVGK T0532 470 :WMYP 1e96B 182 :LFRP Number of specific fragments extracted= 9 number of extra gaps= 0 total=911 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2033508680.pdb -s /var/tmp/to_scwrl_2033508680.seq -o /var/tmp/from_scwrl_2033508680.pdb > /var/tmp/scwrl_2033508680.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2033508680.pdb Number of alignments=62 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)D48 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 49 :ITSSSASKSFIYDELLAKQM 1e96B 3 :LVEAISLWNEGVLAADKKDW T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1e96B 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDG 1e96B 83 :QTEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1e96B 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALAT T0532 229 :LMESN 1e96B 149 :SMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFM 1e96B 154 :PRHSKIDKAMECVWKQKLYEPVV T0532 465 :RLPMRWMYP 1e96B 177 :IPVGKLFRP Number of specific fragments extracted= 8 number of extra gaps= 0 total=919 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1219137923.pdb -s /var/tmp/to_scwrl_1219137923.seq -o /var/tmp/from_scwrl_1219137923.pdb > /var/tmp/scwrl_1219137923.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219137923.pdb Number of alignments=63 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYI 1e96B 3 :LVEAIS T0532 59 :IYDEL 1e96B 9 :LWNEG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1e96B 85 :EKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKE 1e96B 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQL T0532 372 :AIRAHMEFI 1e96B 145 :ALATSMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFM 1e96B 154 :PRHSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPI 1e96B 177 :IPVGKL T0532 471 :MYP 1e96B 183 :FRP Number of specific fragments extracted= 10 number of extra gaps= 0 total=929 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1304262178.pdb -s /var/tmp/to_scwrl_1304262178.seq -o /var/tmp/from_scwrl_1304262178.pdb > /var/tmp/scwrl_1304262178.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1304262178.pdb Number of alignments=64 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGL 1e96B 18 :DKKDWKGALDAF T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 30 :SAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 143 :LG 1e96B 84 :TE T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 227 :GSLM 1e96B 112 :LGLQ T0532 341 :VRLGYAEQNFILAEAAVRGWISGDASA 1e96B 116 :FKLFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIASNTPD 1e96B 143 :QLALATSMKSEPRHSKI T0532 417 :E 1e96B 160 :D T0532 427 :RYLASFM 1e96B 161 :KAMECVW T0532 446 :TGYPVLPINPAT 1e96B 168 :KQKLYEPVVIPV T0532 469 :RWMYP 1e96B 181 :KLFRP Number of specific fragments extracted= 13 number of extra gaps= 0 total=942 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_799676206.pdb -s /var/tmp/to_scwrl_799676206.seq -o /var/tmp/from_scwrl_799676206.pdb > /var/tmp/scwrl_799676206.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_799676206.pdb Number of alignments=65 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGLLLD 1e96B 18 :DKKDWKGALDAFSAV T0532 76 :DYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 33 :QDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGD 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYK T0532 225 :ASGSLME 1e96B 111 :ILGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDASA 1e96B 118 :LFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIAS 1e96B 143 :QLALATSMKSEPR T0532 413 :SGEKEADIEKILTQR 1e96B 156 :HSKIDKAMECVWKQK T0532 449 :PVLPINPAT 1e96B 171 :LYEPVVIPV T0532 470 :WMYP 1e96B 182 :LFRP Number of specific fragments extracted= 12 number of extra gaps= 0 total=954 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1930660762.pdb -s /var/tmp/to_scwrl_1930660762.seq -o /var/tmp/from_scwrl_1930660762.pdb > /var/tmp/scwrl_1930660762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1930660762.pdb Number of alignments=66 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGLL 1e96B 18 :DKKDWKGALDAFS T0532 74 :MEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 31 :AVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 247 :TV 1e96B 114 :LQ T0532 341 :VRLGYAEQNFILAEAAVRGWISGDASA 1e96B 116 :FKLFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIASN 1e96B 143 :QLALATSMKSEPRH T0532 414 :GEKEADIEKILTQR 1e96B 157 :SKIDKAMECVWKQK T0532 449 :PVLPINPAT 1e96B 171 :LYEPVVIPV T0532 459 :R 1e96B 180 :G T0532 469 :RWMYP 1e96B 181 :KLFRP Number of specific fragments extracted= 13 number of extra gaps= 0 total=967 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_957016929.pdb -s /var/tmp/to_scwrl_957016929.seq -o /var/tmp/from_scwrl_957016929.pdb > /var/tmp/scwrl_957016929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_957016929.pdb Number of alignments=67 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLA 1e96B 18 :DKKDWKGAL T0532 70 :WGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 27 :DAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :LG 1e96B 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGD 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYK T0532 220 :FAR 1e96B 111 :ILG T0532 229 :L 1e96B 114 :L T0532 248 :V 1e96B 115 :Q T0532 341 :VRLGYAEQNFILAEAAVRGWISGDASA 1e96B 116 :FKLFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIAS 1e96B 143 :QLALATSMKSEPR T0532 413 :SGEKEADIEKILTQRYLASFM 1e96B 156 :HSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLP 1e96B 177 :IPVGK T0532 470 :WMYP 1e96B 182 :LFRP Number of specific fragments extracted= 14 number of extra gaps= 0 total=981 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_448608682.pdb -s /var/tmp/to_scwrl_448608682.seq -o /var/tmp/from_scwrl_448608682.pdb > /var/tmp/scwrl_448608682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_448608682.pdb Number of alignments=68 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 3 :LVEAISLWNEGVLAADKKDWKGALDAFSAVQDPHSRICFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFYM 1e96B 65 :NRDKHLAVAYFQRGMLYYQT T0532 137 :EA 1e96B 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 187 :ISKWKK 1e96B 114 :LQFKLF T0532 345 :YAEQNFILAEAAVRGWISGDASA 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEE T0532 372 :AIRAHMEFIAS 1e96B 143 :QLALATSMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFM 1e96B 154 :PRHSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPIN 1e96B 177 :IPVGKLF T0532 472 :YP 1e96B 184 :RP Number of specific fragments extracted= 10 number of extra gaps= 0 total=991 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1990473729.pdb -s /var/tmp/to_scwrl_1990473729.seq -o /var/tmp/from_scwrl_1990473729.pdb > /var/tmp/scwrl_1990473729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1990473729.pdb Number of alignments=69 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAK 1e96B 18 :DKKDWKGALDAFSAVQDPHSRICFNIGCMYTIL T0532 87 :FGGYTTLINAQKMVES 1e96B 51 :KNMTEAEKAFTRSINR T0532 109 :NAYDGLAHFIKAYKIFY 1e96B 67 :DKHLAVAYFQRGMLYYQ T0532 143 :LGL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 247 :TVYPFH 1e96B 114 :LQFKLF T0532 345 :YAEQNFILAEAAVRGWISGDASAYY 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQL T0532 372 :AIRAHMEFI 1e96B 145 :ALATSMKSE T0532 411 :QLSGEKE 1e96B 154 :PRHSKID T0532 427 :RYLASFM 1e96B 161 :KAMECVW T0532 436 :PYD 1e96B 168 :KQK T0532 449 :PVLPINPAT 1e96B 171 :LYEPVVIPV T0532 469 :RWMYP 1e96B 181 :KLFRP Number of specific fragments extracted= 14 number of extra gaps= 0 total=1005 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2054872554.pdb -s /var/tmp/to_scwrl_2054872554.seq -o /var/tmp/from_scwrl_2054872554.pdb > /var/tmp/scwrl_2054872554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2054872554.pdb Number of alignments=70 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 35 :KVTSSLLATGLLLDITSSSA 1e96B 3 :LVEAISLWNEGVLAADKKDW T0532 94 :INAQKMVESVSDDN 1e96B 23 :KGALDAFSAVQDPH T0532 113 :GLAHFIKAYKIFYM 1e96B 37 :SRICFNIGCMYTIL T0532 144 :GL 1e96B 51 :KN T0532 150 :YNTQ 1e96B 53 :MTEA T0532 161 :LSDLETAYEL 1e96B 57 :EKAFTRSINR T0532 172 :STA 1e96B 67 :DKH T0532 187 :I 1e96B 70 :L T0532 194 :TTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMK 1e96B 71 :AVAYFQRGMLYYQTEKYDLAIKDLKEALIQLRGNQLIDYKILGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDAS 1e96B 118 :LFACEVLYNIAFMYAKKEEWKKAE T0532 371 :KAIRAHMEFIASNTPD 1e96B 142 :EQLALATSMKSEPRHS T0532 415 :EKEA 1e96B 158 :KIDK T0532 428 :YLASFM 1e96B 162 :AMECVW T0532 436 :P 1e96B 168 :K T0532 447 :GYPVLPINPAT 1e96B 169 :QKLYEPVVIPV T0532 459 :R 1e96B 180 :G T0532 466 :L 1e96B 181 :K T0532 470 :WMYP 1e96B 182 :LFRP Number of specific fragments extracted= 18 number of extra gaps= 0 total=1023 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1353857410.pdb -s /var/tmp/to_scwrl_1353857410.seq -o /var/tmp/from_scwrl_1353857410.pdb > /var/tmp/scwrl_1353857410.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1353857410.pdb Number of alignments=71 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGL 1e96B 18 :DKKDWKGALDAF T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 30 :SAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 228 :SL 1e96B 113 :GL T0532 248 :V 1e96B 115 :Q T0532 341 :VRLGYAEQNFILAEAAVRGWISGDASA 1e96B 116 :FKLFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIASNTP 1e96B 143 :QLALATSMKSEPRHSK T0532 416 :KE 1e96B 159 :ID T0532 427 :RYLASFM 1e96B 161 :KAMECVW T0532 436 :P 1e96B 168 :K T0532 447 :GYPVLPINPAT 1e96B 169 :QKLYEPVVIPV T0532 464 :D 1e96B 180 :G T0532 469 :RWMYP 1e96B 181 :KLFRP Number of specific fragments extracted= 16 number of extra gaps= 0 total=1039 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1340190780.pdb -s /var/tmp/to_scwrl_1340190780.seq -o /var/tmp/from_scwrl_1340190780.pdb > /var/tmp/scwrl_1340190780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340190780.pdb Number of alignments=72 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1e96B)S2 Warning: unaligning (T0532)K474 because last residue in template chain is (1e96B)N186 T0532 3 :RINKYISLLLATALL 1e96B 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLAT 1e96B 18 :DKKDWKGALD T0532 48 :DI 1e96B 28 :AF T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1e96B 30 :SAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :L 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 245 :ANTVYP 1e96B 112 :LGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDASA 1e96B 118 :LFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIAS 1e96B 143 :QLALATSMKSEPR T0532 413 :SGEKEADIEKILTQRYLASFM 1e96B 156 :HSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLP 1e96B 177 :IPVGK T0532 470 :WMYP 1e96B 182 :LFRP Number of specific fragments extracted= 13 number of extra gaps= 0 total=1052 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_9922818.pdb -s /var/tmp/to_scwrl_9922818.seq -o /var/tmp/from_scwrl_9922818.pdb > /var/tmp/scwrl_9922818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9922818.pdb Number of alignments=73 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 107 :NVNAYDGLAHFIKAYKIFY 1e96B 65 :NRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDG 1e96B 84 :TEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKA 1e96B 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPRHSKIDKAMECVWKQKL Number of specific fragments extracted= 3 number of extra gaps= 0 total=1055 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_860955418.pdb -s /var/tmp/to_scwrl_860955418.seq -o /var/tmp/from_scwrl_860955418.pdb > /var/tmp/scwrl_860955418.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_860955418.pdb Number of alignments=74 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=1056 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_767368614.pdb -s /var/tmp/to_scwrl_767368614.seq -o /var/tmp/from_scwrl_767368614.pdb > /var/tmp/scwrl_767368614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_767368614.pdb Number of alignments=75 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 85 :SGFGGYTTLINAQKMVESV 1e96B 42 :NIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1e96B 85 :EKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 1e96B 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWK Number of specific fragments extracted= 4 number of extra gaps= 0 total=1060 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_211098322.pdb -s /var/tmp/to_scwrl_211098322.seq -o /var/tmp/from_scwrl_211098322.pdb > /var/tmp/scwrl_211098322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211098322.pdb Number of alignments=76 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 88 :GGYTTLINAQKMVESV 1e96B 45 :CMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 143 :LG 1e96B 84 :TE T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 188 :SKWK 1e96B 114 :LQFK T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFA 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALAT Number of specific fragments extracted= 6 number of extra gaps= 0 total=1066 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1951461448.pdb -s /var/tmp/to_scwrl_1951461448.seq -o /var/tmp/from_scwrl_1951461448.pdb > /var/tmp/scwrl_1951461448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951461448.pdb Number of alignments=77 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 88 :GGYTTLINAQKMVESV 1e96B 45 :CMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDG 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDY Number of specific fragments extracted= 4 number of extra gaps= 0 total=1070 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1908430312.pdb -s /var/tmp/to_scwrl_1908430312.seq -o /var/tmp/from_scwrl_1908430312.pdb > /var/tmp/scwrl_1908430312.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908430312.pdb Number of alignments=78 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 84 :RSGFGGYTTLINAQKMVESV 1e96B 41 :FNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILG 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKILGL T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 5 number of extra gaps= 0 total=1075 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_319458575.pdb -s /var/tmp/to_scwrl_319458575.seq -o /var/tmp/from_scwrl_319458575.pdb > /var/tmp/scwrl_319458575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_319458575.pdb Number of alignments=79 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 80 :NVFGRSGFGGYTTLINAQKMVESV 1e96B 37 :SRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :LG 1e96B 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDA 1e96B 113 :GLQFKLFACEVLYNIAFMYAKKEEWK T0532 213 :DLKVKERFA 1e96B 140 :AEEQLALAT Number of specific fragments extracted= 6 number of extra gaps= 0 total=1081 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_621083784.pdb -s /var/tmp/to_scwrl_621083784.seq -o /var/tmp/from_scwrl_621083784.pdb > /var/tmp/scwrl_621083784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_621083784.pdb Number of alignments=80 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 107 :NVNAYDGLAHFIKAYKIFYM 1e96B 65 :NRDKHLAVAYFQRGMLYYQT T0532 137 :EA 1e96B 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGD 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYK Number of specific fragments extracted= 3 number of extra gaps= 0 total=1084 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2057630869.pdb -s /var/tmp/to_scwrl_2057630869.seq -o /var/tmp/from_scwrl_2057630869.pdb > /var/tmp/scwrl_2057630869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057630869.pdb Number of alignments=81 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 88 :GGYTTLINAQKMVESV 1e96B 38 :RICFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFY 1e96B 65 :NRDKHLAVAYFQRGMLYYQ T0532 143 :LGL 1e96B 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARI 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATSM Number of specific fragments extracted= 5 number of extra gaps= 0 total=1089 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_140982950.pdb -s /var/tmp/to_scwrl_140982950.seq -o /var/tmp/from_scwrl_140982950.pdb > /var/tmp/scwrl_140982950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140982950.pdb Number of alignments=82 # 1e96B read from all-align.a2m # found chain 1e96B in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1e96B)S2 T0532 35 :KVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 1e96B 3 :LVEAISLWNEGVLAADKKDWKGALDAFSAVQDPH T0532 91 :TTLINAQKMVESV 1e96B 51 :KNMTEAEKAFTRS T0532 112 :DGLAHFIKAYKIFY 1e96B 70 :LAVAYFQRGMLYYQ T0532 143 :LGL 1e96B 84 :TEK T0532 150 :YNT 1e96B 87 :YDL T0532 160 :ILSDLETAYELFSTA 1e96B 90 :AIKDLKEALIQLRGN T0532 176 :DFDGDPIL 1e96B 112 :LGLQFKLF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 230 :MESNED 1e96B 150 :MKSEPR Number of specific fragments extracted= 9 number of extra gaps= 0 total=1098 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_990911644.pdb -s /var/tmp/to_scwrl_990911644.seq -o /var/tmp/from_scwrl_990911644.pdb > /var/tmp/scwrl_990911644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_990911644.pdb Number of alignments=83 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 82 :FGRSGFGGYTTLINAQKMVESV 1e96B 39 :ICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1e96B 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 5 number of extra gaps= 0 total=1103 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1023865999.pdb -s /var/tmp/to_scwrl_1023865999.seq -o /var/tmp/from_scwrl_1023865999.pdb > /var/tmp/scwrl_1023865999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1023865999.pdb Number of alignments=84 # 1e96B read from all-align.a2m # found chain 1e96B in template set T0532 81 :VFGRSGFGGYTTLINAQKMVESV 1e96B 38 :RICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1e96B 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :L 1e96B 85 :E T0532 157 :MNFILSDLETAYELFSTA 1e96B 87 :YDLAIKDLKEALIQLRGN T0532 176 :DFDGDP 1e96B 112 :LGLQFK T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1e96B 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 6 number of extra gaps= 0 total=1109 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1540826277.pdb -s /var/tmp/to_scwrl_1540826277.seq -o /var/tmp/from_scwrl_1540826277.pdb > /var/tmp/scwrl_1540826277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1540826277.pdb Number of alignments=85 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 1hh8A 52 :NMTEAEKAFTRSINRDKHLAVAYFQRGMLYYQ T0532 394 :HPITEEAIAAFLETPAIQ 1hh8A 84 :TEKYDLAIKDLKEALIQL T0532 414 :GEKEA 1hh8A 102 :RGNQL T0532 419 :DIEKILTQRYLASF 1hh8A 120 :ACEVLYNIAFMYAK T0532 434 :QHPYDVYYDYRRTG 1hh8A 134 :KEEWKKAEEQLALA Number of specific fragments extracted= 5 number of extra gaps= 0 total=1114 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2060424729.pdb -s /var/tmp/to_scwrl_2060424729.seq -o /var/tmp/from_scwrl_2060424729.pdb > /var/tmp/scwrl_2060424729.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2060424729.pdb Number of alignments=86 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 139 :LQGELGLVR 1hh8A 64 :INRDKHLAV T0532 148 :PKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPIL 1hh8A 121 :CEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPRH Number of specific fragments extracted= 2 number of extra gaps= 0 total=1116 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_504879886.pdb -s /var/tmp/to_scwrl_504879886.seq -o /var/tmp/from_scwrl_504879886.pdb > /var/tmp/scwrl_504879886.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_504879886.pdb Number of alignments=87 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)R3 because first residue in template chain is (1hh8A)S2 T0532 4 :INKYISLLLATALLASCDKFDE 1hh8A 3 :LVEAISLWNEGVLAADKKDWKG T0532 26 :INTDPDA 1hh8A 64 :INRDKHL T0532 37 :TSSLLATGLLLDIT 1hh8A 71 :AVAYFQRGMLYYQT T0532 162 :SDLETAYELFSTAK 1hh8A 85 :EKYDLAIKDLKEAL T0532 497 :DVNK 1hh8A 99 :IQLR T0532 501 :LMWILQ 1hh8A 119 :FACEVL Number of specific fragments extracted= 6 number of extra gaps= 0 total=1122 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_318345031.pdb -s /var/tmp/to_scwrl_318345031.seq -o /var/tmp/from_scwrl_318345031.pdb > /var/tmp/scwrl_318345031.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_318345031.pdb Number of alignments=88 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)I4 because first residue in template chain is (1hh8A)S2 T0532 5 :NKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVL T0532 18 :ASCDK 1hh8A 17 :ADKKD T0532 23 :FDEIN 1hh8A 29 :FSAVQ T0532 29 :DPDAT 1hh8A 34 :DPHSR T0532 39 :SLLATGLLLDIT 1hh8A 73 :AYFQRGMLYYQT T0532 477 :SDYNLEHQNEALERQFGGVDDVNKLMWIL 1hh8A 137 :WKKAEEQLALATSMKSEPRHSKIDKAMEC Number of specific fragments extracted= 6 number of extra gaps= 0 total=1128 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1094723703.pdb -s /var/tmp/to_scwrl_1094723703.seq -o /var/tmp/from_scwrl_1094723703.pdb > /var/tmp/scwrl_1094723703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1094723703.pdb Number of alignments=89 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 10 :LLLATALLAS 1hh8A 75 :FQRGMLYYQT T0532 162 :SDLETAYELFSTAK 1hh8A 85 :EKYDLAIKDLKEAL T0532 433 :MQHPYDVYYDYRRTGYPVLPINPATNRN 1hh8A 99 :IQLRGNQLIDYKILGLQFKLFACEVLYN Number of specific fragments extracted= 3 number of extra gaps= 0 total=1131 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_431206332.pdb -s /var/tmp/to_scwrl_431206332.seq -o /var/tmp/from_scwrl_431206332.pdb > /var/tmp/scwrl_431206332.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431206332.pdb Number of alignments=90 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Number of specific fragments extracted= 0 number of extra gaps= 0 total=1131 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 1 :MKRINKYISLLLATALLASCD 1hh8A 66 :RDKHLAVAYFQRGMLYYQTEK T0532 472 :YPKSESDYN 1hh8A 87 :YDLAIKDLK T0532 481 :LEHQNEALERQFGGVDDVNKLMWILQ 1hh8A 141 :EEQLALATSMKSEPRHSKIDKAMECV Number of specific fragments extracted= 3 number of extra gaps= 0 total=1134 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_573965734.pdb -s /var/tmp/to_scwrl_573965734.seq -o /var/tmp/from_scwrl_573965734.pdb > /var/tmp/scwrl_573965734.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_573965734.pdb Number of alignments=91 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 1 :MKRINKYI 1hh8A 19 :KKDWKGAL T0532 9 :SLLLATALLASCD 1hh8A 74 :YFQRGMLYYQTEK T0532 411 :QLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRT 1hh8A 111 :ILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLAL T0532 450 :VLPINP 1hh8A 147 :ATSMKS T0532 457 :TNRNTMNDRLPMRWMYPKSESDY 1hh8A 153 :EPRHSKIDKAMECVWKQKLYEPV Number of specific fragments extracted= 5 number of extra gaps= 0 total=1139 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1689803296.pdb -s /var/tmp/to_scwrl_1689803296.seq -o /var/tmp/from_scwrl_1689803296.pdb > /var/tmp/scwrl_1689803296.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1689803296.pdb Number of alignments=92 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 156 :VMNFILSDLETAYELFSTAKDFDGD 1hh8A 14 :VLAADKKDWKGALDAFSAVQDPHSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=1140 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_317231366.pdb -s /var/tmp/to_scwrl_317231366.seq -o /var/tmp/from_scwrl_317231366.pdb > /var/tmp/scwrl_317231366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317231366.pdb Number of alignments=93 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 158 :NFILSDLETAYELFSTAKDFDGD 1hh8A 16 :AADKKDWKGALDAFSAVQDPHSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=1141 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1793103658.pdb -s /var/tmp/to_scwrl_1793103658.seq -o /var/tmp/from_scwrl_1793103658.pdb > /var/tmp/scwrl_1793103658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793103658.pdb Number of alignments=94 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 189 :KWKKATTAFQLKVLMHLSKKESDAD 1hh8A 136 :EWKKAEEQLALATSMKSEPRHSKID Number of specific fragments extracted= 1 number of extra gaps= 0 total=1142 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_846581828.pdb -s /var/tmp/to_scwrl_846581828.seq -o /var/tmp/from_scwrl_846581828.pdb > /var/tmp/scwrl_846581828.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846581828.pdb Number of alignments=95 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 187 :ISKWKKATTAFQLKVLMHLSKKESD 1hh8A 134 :KEEWKKAEEQLALATSMKSEPRHSK Number of specific fragments extracted= 1 number of extra gaps= 0 total=1143 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1116907571.pdb -s /var/tmp/to_scwrl_1116907571.seq -o /var/tmp/from_scwrl_1116907571.pdb > /var/tmp/scwrl_1116907571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1116907571.pdb Number of alignments=96 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)P335 because last residue in template chain is (1hh8A)L193 T0532 3 :R 1hh8A 3 :L T0532 24 :DEINT 1hh8A 4 :VEAIS T0532 29 :DPDATTKV 1hh8A 19 :KKDWKGAL T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1hh8A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1hh8A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1hh8A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGTDPS 1hh8A 170 :KLYEPVVIP T0532 317 :KAYATE 1hh8A 179 :VGRLFR T0532 327 :FNARYTDY 1hh8A 185 :PNERQVAQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=1157 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1576280773.pdb -s /var/tmp/to_scwrl_1576280773.seq -o /var/tmp/from_scwrl_1576280773.pdb > /var/tmp/scwrl_1576280773.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1576280773.pdb Number of alignments=97 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)S55 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)T461 because last residue in template chain is (1hh8A)L193 T0532 56 :KSFIYDELLAKQMAWGESMEDYQY 1hh8A 3 :LVEAISLWNEGVLAADKKDWKGAL T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1hh8A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1hh8A 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 83 :QTEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 216 :VKERFARI 1hh8A 137 :WKKAEEQL T0532 228 :SLMES 1hh8A 145 :ALATS T0532 274 :ATGDIR 1hh8A 150 :MKSEPR T0532 413 :SGEKEADIEKILTQRYLASF 1hh8A 156 :HSKIDKAMECVWKQKLYEPV T0532 434 :QHPYDVYY 1hh8A 176 :VIPVGRLF T0532 452 :PINPATNRN 1hh8A 184 :RPNERQVAQ Number of specific fragments extracted= 13 number of extra gaps= 0 total=1170 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1803598756.pdb -s /var/tmp/to_scwrl_1803598756.seq -o /var/tmp/from_scwrl_1803598756.pdb > /var/tmp/scwrl_1803598756.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1803598756.pdb Number of alignments=98 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLAT 1hh8A 3 :LVEAISLWNEGV T0532 29 :DPDATTKVTS 1hh8A 19 :KKDWKGALDA T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1hh8A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 216 :VKERFARIV 1hh8A 137 :WKKAEEQLA T0532 229 :LMES 1hh8A 146 :LATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1hh8A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGTDPS 1hh8A 170 :KLYEPVVIP T0532 317 :KAYATEQ 1hh8A 179 :VGRLFRP T0532 425 :TQRYLAS 1hh8A 186 :NERQVAQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=1184 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1565516253.pdb -s /var/tmp/to_scwrl_1565516253.seq -o /var/tmp/from_scwrl_1565516253.pdb > /var/tmp/scwrl_1565516253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1565516253.pdb Number of alignments=99 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F379 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 25 :EI 1hh8A 18 :DK T0532 36 :VTSS 1hh8A 20 :KDWK T0532 41 :LATGLLLDITSSSASKS 1hh8A 24 :GALDAFSAVQDPHSRIC T0532 91 :TTLINAQKMVESVSDDNVN 1hh8A 41 :FNIGCMYTILKNMTEAEKA T0532 110 :AYDGLAHFIKAYKIFY 1hh8A 68 :KHLAVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDA 1hh8A 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1hh8A 140 :AEEQLALATSMK T0532 259 :AGYAMLSTMLIDKF 1hh8A 154 :PRHSKIDKAMECVW T0532 292 :NE 1hh8A 168 :KQ T0532 301 :DAYIGTDPS 1hh8A 170 :KLYEPVVIP T0532 317 :KAYATEQY 1hh8A 179 :VGRLFRPN T0532 373 :IRAHME 1hh8A 187 :ERQVAQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=1200 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1419270855.pdb -s /var/tmp/to_scwrl_1419270855.seq -o /var/tmp/from_scwrl_1419270855.pdb > /var/tmp/scwrl_1419270855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419270855.pdb Number of alignments=100 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F379 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 22 :KFDE 1hh8A 18 :DKKD T0532 38 :SSL 1hh8A 22 :WKG T0532 42 :ATGLLLDITSSS 1hh8A 25 :ALDAFSAVQDPH T0532 88 :GG 1hh8A 37 :SR T0532 90 :YTTLINAQKMVESV 1hh8A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1hh8A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1hh8A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGTDPS 1hh8A 170 :KLYEPVVIP T0532 317 :KAYATEQY 1hh8A 179 :VGRLFRPN T0532 373 :IRAHME 1hh8A 187 :ERQVAQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=1216 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1710987664.pdb -s /var/tmp/to_scwrl_1710987664.seq -o /var/tmp/from_scwrl_1710987664.pdb > /var/tmp/scwrl_1710987664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1710987664.pdb Number of alignments=101 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F379 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 22 :K 1hh8A 18 :D T0532 35 :KVTSSLL 1hh8A 19 :KKDWKGA T0532 43 :TGLLLDITS 1hh8A 26 :LDAFSAVQD T0532 86 :GFGG 1hh8A 35 :PHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1hh8A 138 :KKAEEQLALATSMK T0532 228 :SLMESN 1hh8A 153 :EPRHSK T0532 264 :LSTMLIDKFKA 1hh8A 159 :IDKAMECVWKQ T0532 301 :DAYIGTDPS 1hh8A 170 :KLYEPVVIP T0532 317 :KAYATEQY 1hh8A 179 :VGRLFRPN T0532 373 :IRAHME 1hh8A 187 :ERQVAQ Number of specific fragments extracted= 17 number of extra gaps= 0 total=1233 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_771890017.pdb -s /var/tmp/to_scwrl_771890017.seq -o /var/tmp/from_scwrl_771890017.pdb > /var/tmp/scwrl_771890017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_771890017.pdb Number of alignments=102 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 22 :K 1hh8A 18 :D T0532 26 :I 1hh8A 19 :K T0532 33 :TT 1hh8A 20 :KD T0532 38 :SSL 1hh8A 22 :WKG T0532 42 :ATGLLL 1hh8A 25 :ALDAFS T0532 82 :FGRSGFGG 1hh8A 31 :AVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAY 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFT T0532 112 :DGLAHFIKAYKIFY 1hh8A 70 :LAVAYFQRGMLYYQ T0532 137 :E 1hh8A 84 :T T0532 155 :EVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 85 :EKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1hh8A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1hh8A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGTDPS 1hh8A 170 :KLYEPVVIP T0532 317 :KAYATE 1hh8A 179 :VGRLFR T0532 414 :G 1hh8A 185 :P T0532 425 :TQRYLAS 1hh8A 186 :NERQVAQ Number of specific fragments extracted= 19 number of extra gaps= 0 total=1252 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_611977990.pdb -s /var/tmp/to_scwrl_611977990.seq -o /var/tmp/from_scwrl_611977990.pdb > /var/tmp/scwrl_611977990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611977990.pdb Number of alignments=103 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)T461 because last residue in template chain is (1hh8A)L193 T0532 3 :R 1hh8A 3 :L T0532 24 :DEINT 1hh8A 4 :VEAIS T0532 29 :DPDATTKVTSSLLATG 1hh8A 13 :GVLAADKKDWKGALDA T0532 46 :LLDITSSSASKSFI 1hh8A 29 :FSAVQDPHSRICFN T0532 93 :LINAQKMVESV 1hh8A 43 :IGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFY 1hh8A 65 :NRDKHLAVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESDA 1hh8A 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVA 1hh8A 140 :AEEQLALATS T0532 274 :ATGDIRMFYY 1hh8A 150 :MKSEPRHSKI T0532 417 :EADIEKILTQRYLASF 1hh8A 160 :DKAMECVWKQKLYEPV T0532 434 :QHPYDVYY 1hh8A 176 :VIPVGRLF T0532 448 :YPVLP 1hh8A 184 :RPNER T0532 457 :TNRN 1hh8A 189 :QVAQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=1268 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1720910482.pdb -s /var/tmp/to_scwrl_1720910482.seq -o /var/tmp/from_scwrl_1720910482.pdb > /var/tmp/scwrl_1720910482.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1720910482.pdb Number of alignments=104 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)T34 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 35 :KVTSSLLATGLLLDIT 1hh8A 3 :LVEAISLWNEGVLAAD T0532 52 :S 1hh8A 31 :A T0532 54 :ASKSFIYDELLAKQMAWGE 1hh8A 32 :VQDPHSRICFNIGCMYTIL T0532 88 :GG 1hh8A 51 :KN T0532 90 :YTTLINAQKMVESV 1hh8A 54 :TEAEKAFTRSINRD T0532 110 :AYDGLAHFIKAYKIFY 1hh8A 68 :KHLAVAYFQRGMLYYQ T0532 143 :LGL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSK 1hh8A 119 :FACEVLYNIAFMYAKK T0532 211 :DADLKVKERFARIVASG 1hh8A 135 :EEWKKAEEQLALATSMK T0532 259 :AGYAMLSTMLIDKFKAT 1hh8A 153 :EPRHSKIDKAMECVWKQ T0532 301 :DAYIGTDPS 1hh8A 170 :KLYEPVVIP T0532 317 :KAYAT 1hh8A 179 :VGRLF T0532 413 :SGE 1hh8A 184 :RPN T0532 426 :QRYLAS 1hh8A 187 :ERQVAQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=1284 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1632845435.pdb -s /var/tmp/to_scwrl_1632845435.seq -o /var/tmp/from_scwrl_1632845435.pdb > /var/tmp/scwrl_1632845435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1632845435.pdb Number of alignments=105 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)T34 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)N480 because last residue in template chain is (1hh8A)L193 T0532 35 :KVTSSLLATGLLLDITSS 1hh8A 3 :LVEAISLWNEGVLAADKK T0532 86 :GFG 1hh8A 21 :DWK T0532 95 :NAQKMVESV 1hh8A 24 :GALDAFSAV T0532 104 :S 1hh8A 36 :H T0532 113 :GLAHFIKAYKIFYM 1hh8A 37 :SRICFNIGCMYTIL T0532 151 :NTQKEV 1hh8A 51 :KNMTEA T0532 161 :LSDLETAYEL 1hh8A 57 :EKAFTRSINR T0532 184 :GGSI 1hh8A 67 :DKHL T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 71 :AVAYFQRGMLYYQTEKYDL T0532 216 :VKERFARIVA 1hh8A 90 :AIKDLKEALI T0532 226 :SG 1hh8A 102 :RG T0532 301 :DAYIGTDP 1hh8A 104 :NQLIDYKI T0532 317 :KAYATEQY 1hh8A 112 :LGLQFKLF T0532 345 :YAEQNFILAEAAVRGWISGDASAYYKK 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLAL T0532 373 :IRA 1hh8A 147 :ATS T0532 382 :SNT 1hh8A 150 :MKS T0532 386 :DE 1hh8A 153 :EP T0532 413 :SGEK 1hh8A 155 :RHSK T0532 417 :EADIEKIL 1hh8A 160 :DKAMECVW T0532 429 :LASF 1hh8A 168 :KQKL T0532 434 :QHPY 1hh8A 172 :YEPV T0532 454 :NP 1hh8A 176 :VI T0532 458 :NR 1hh8A 178 :PV T0532 467 :PMRWMYPKSESDY 1hh8A 180 :GRLFRPNERQVAQ Number of specific fragments extracted= 24 number of extra gaps= 0 total=1308 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1379346603.pdb -s /var/tmp/to_scwrl_1379346603.seq -o /var/tmp/from_scwrl_1379346603.pdb > /var/tmp/scwrl_1379346603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1379346603.pdb Number of alignments=106 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 22 :K 1hh8A 18 :D T0532 35 :KVTSSLLAT 1hh8A 19 :KKDWKGALD T0532 45 :LLL 1hh8A 28 :AFS T0532 82 :FGRSGFGG 1hh8A 31 :AVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1hh8A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYY 1hh8A 150 :MKSEPRHSKI T0532 363 :GDASAYYKK 1hh8A 160 :DKAMECVWK T0532 376 :HMEFIASNTPDEEVY 1hh8A 169 :QKLYEPVVIPVGRLF T0532 413 :SGE 1hh8A 184 :RPN T0532 426 :QRYLAS 1hh8A 187 :ERQVAQ Number of specific fragments extracted= 17 number of extra gaps= 0 total=1325 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1932008804.pdb -s /var/tmp/to_scwrl_1932008804.seq -o /var/tmp/from_scwrl_1932008804.pdb > /var/tmp/scwrl_1932008804.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932008804.pdb Number of alignments=107 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 22 :K 1hh8A 18 :D T0532 32 :ATTKV 1hh8A 19 :KKDWK T0532 41 :LATGLLLDITS 1hh8A 24 :GALDAFSAVQD T0532 86 :GFGG 1hh8A 35 :PHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1hh8A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYY 1hh8A 150 :MKSEPRHSKI T0532 363 :GDASAYYKK 1hh8A 160 :DKAMECVWK T0532 376 :HMEFIASNTPDEEVY 1hh8A 169 :QKLYEPVVIPVGRLF T0532 413 :SGE 1hh8A 184 :RPN T0532 426 :QRYLAS 1hh8A 187 :ERQVAQ Number of specific fragments extracted= 17 number of extra gaps= 0 total=1342 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1436823236.pdb -s /var/tmp/to_scwrl_1436823236.seq -o /var/tmp/from_scwrl_1436823236.pdb > /var/tmp/scwrl_1436823236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436823236.pdb Number of alignments=108 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1hh8A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1hh8A 137 :WKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1hh8A 154 :PRHSKIDKAM Number of specific fragments extracted= 8 number of extra gaps= 0 total=1350 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1140293268.pdb -s /var/tmp/to_scwrl_1140293268.seq -o /var/tmp/from_scwrl_1140293268.pdb > /var/tmp/scwrl_1140293268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140293268.pdb Number of alignments=109 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)R219 because last residue in template chain is (1hh8A)L193 T0532 67 :QMAWGESMEDYQY 1hh8A 5 :EAISLWNEGVLAA T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1hh8A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1hh8A 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 83 :QTEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDADL 1hh8A 118 :LFACEVLYNIAFMYAKKEEWKKA T0532 215 :KVKE 1hh8A 189 :QVAQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=1358 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_103983732.pdb -s /var/tmp/to_scwrl_103983732.seq -o /var/tmp/from_scwrl_103983732.pdb > /var/tmp/scwrl_103983732.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_103983732.pdb Number of alignments=110 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1hh8A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDA 1hh8A 118 :LFACEVLYNIAFMYAKKEEWK T0532 215 :KVKERFARIVASG 1hh8A 139 :KAEEQLALATSMK T0532 231 :ESNEDN 1hh8A 157 :SKIDKA Number of specific fragments extracted= 8 number of extra gaps= 0 total=1366 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2057907020.pdb -s /var/tmp/to_scwrl_2057907020.seq -o /var/tmp/from_scwrl_2057907020.pdb > /var/tmp/scwrl_2057907020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057907020.pdb Number of alignments=111 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)F272 because last residue in template chain is (1hh8A)L193 T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESDA 1hh8A 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1hh8A 140 :AEEQLALATSMK T0532 228 :SLMESNED 1hh8A 154 :PRHSKIDK T0532 237 :L 1hh8A 162 :A T0532 255 :NTKHAGYAMLSTMLIDK 1hh8A 176 :VIPVGRLFRPNERQVAQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=1377 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1050440491.pdb -s /var/tmp/to_scwrl_1050440491.seq -o /var/tmp/from_scwrl_1050440491.pdb > /var/tmp/scwrl_1050440491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050440491.pdb Number of alignments=112 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)F272 because last residue in template chain is (1hh8A)L193 T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVN 1hh8A 40 :CFNIGCMYTILKNMTEAEKA T0532 110 :AYDGLAHFIKAYKIFY 1hh8A 68 :KHLAVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1hh8A 137 :WKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1hh8A 154 :PRHSKIDKAM T0532 245 :ANTVYPFHNTNTKHAGYAMLSTMLIDK 1hh8A 166 :VWKQKLYEPVVIPVGRLFRPNERQVAQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=1387 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_244966682.pdb -s /var/tmp/to_scwrl_244966682.seq -o /var/tmp/from_scwrl_244966682.pdb > /var/tmp/scwrl_244966682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_244966682.pdb Number of alignments=113 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)F272 because last residue in template chain is (1hh8A)L193 T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1hh8A 138 :KKAEEQLALATSMK T0532 228 :SLMESNEDNL 1hh8A 153 :EPRHSKIDKA T0532 241 :YAD 1hh8A 166 :VWK T0532 245 :A 1hh8A 169 :Q T0532 249 :YPFHNTNTKHAGYAMLSTMLIDK 1hh8A 170 :KLYEPVVIPVGRLFRPNERQVAQ Number of specific fragments extracted= 12 number of extra gaps= 0 total=1399 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_901335018.pdb -s /var/tmp/to_scwrl_901335018.seq -o /var/tmp/from_scwrl_901335018.pdb > /var/tmp/scwrl_901335018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_901335018.pdb Number of alignments=114 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)F272 because last residue in template chain is (1hh8A)L193 T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAY 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFT T0532 112 :DGLAHFIKAYKIFY 1hh8A 70 :LAVAYFQRGMLYYQ T0532 137 :E 1hh8A 84 :T T0532 155 :EVMNFILSDLETAYELFSTAKDFDGDP 1hh8A 85 :EKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1hh8A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1hh8A 137 :WKKAEEQLALATSMK T0532 232 :SNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDK 1hh8A 153 :EPRHSKIDKAMECVWKQKLYEPVVIPVGRLFRPNERQVAQ Number of specific fragments extracted= 9 number of extra gaps= 0 total=1408 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2074306489.pdb -s /var/tmp/to_scwrl_2074306489.seq -o /var/tmp/from_scwrl_2074306489.pdb > /var/tmp/scwrl_2074306489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2074306489.pdb Number of alignments=115 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNV 1hh8A 40 :CFNIGCMYTILKNMTEAEK T0532 109 :NAYDGLAHFIKAYKIFY 1hh8A 67 :DKHLAVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESDA 1hh8A 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1hh8A 140 :AEEQLALATSMK T0532 228 :SLMESNEDNL 1hh8A 154 :PRHSKIDKAM Number of specific fragments extracted= 9 number of extra gaps= 0 total=1417 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1785792959.pdb -s /var/tmp/to_scwrl_1785792959.seq -o /var/tmp/from_scwrl_1785792959.pdb > /var/tmp/scwrl_1785792959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1785792959.pdb Number of alignments=116 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 143 :LGL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSK 1hh8A 119 :FACEVLYNIAFMYAKK T0532 211 :DADLKVKERFARIVASG 1hh8A 135 :EEWKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1hh8A 154 :PRHSKIDKAM T0532 242 :ADKANTVYPFHNTN 1hh8A 166 :VWKQKLYEPVVIPV T0532 259 :AGYAMLS 1hh8A 180 :GRLFRPN Number of specific fragments extracted= 11 number of extra gaps= 0 total=1428 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_814276100.pdb -s /var/tmp/to_scwrl_814276100.seq -o /var/tmp/from_scwrl_814276100.pdb > /var/tmp/scwrl_814276100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814276100.pdb Number of alignments=117 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)T34 because first residue in template chain is (1hh8A)S2 T0532 35 :KVTSSLLATGLLLDIT 1hh8A 3 :LVEAISLWNEGVLAAD T0532 51 :SSSASKSFIYDELLA 1hh8A 34 :DPHSRICFNIGCMYT T0532 70 :WGE 1hh8A 49 :ILK T0532 89 :G 1hh8A 52 :N T0532 90 :YTTLINAQKMVESV 1hh8A 54 :TEAEKAFTRSINRD T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 143 :LG 1hh8A 84 :TE T0532 152 :TQKE 1hh8A 86 :KYDL T0532 160 :ILSDLETAYELFSTAKDFDGDPI 1hh8A 90 :AIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1hh8A 138 :KKAEEQLALATSMK T0532 229 :LMESNEDNL 1hh8A 152 :SEPRHSKID T0532 238 :QMKYADKANTVYPFHN 1hh8A 162 :AMECVWKQKLYEPVVI T0532 255 :NT 1hh8A 178 :PV T0532 259 :AGYAMLSTMLID 1hh8A 180 :GRLFRPNERQVA Number of specific fragments extracted= 16 number of extra gaps= 0 total=1444 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_431702728.pdb -s /var/tmp/to_scwrl_431702728.seq -o /var/tmp/from_scwrl_431702728.pdb > /var/tmp/scwrl_431702728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_431702728.pdb Number of alignments=118 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)F272 because last residue in template chain is (1hh8A)L193 T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1hh8A 138 :KKAEEQLALATSMK T0532 230 :ME 1hh8A 153 :EP T0532 234 :EDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDK 1hh8A 155 :RHSKIDKAMECVWKQKLYEPVVIPVGRLFRPNERQVAQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=1454 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2104137991.pdb -s /var/tmp/to_scwrl_2104137991.seq -o /var/tmp/from_scwrl_2104137991.pdb > /var/tmp/scwrl_2104137991.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2104137991.pdb Number of alignments=119 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)F272 because last residue in template chain is (1hh8A)L193 T0532 80 :NVFGRSGFGG 1hh8A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1hh8A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1hh8A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1hh8A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1hh8A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1hh8A 138 :KKAEEQLALATSMK T0532 230 :MESNEDN 1hh8A 153 :EPRHSKI T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDK 1hh8A 160 :DKAMECVWKQKLYEPVVIPVGRLFRPNERQVAQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=1464 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1908999803.pdb -s /var/tmp/to_scwrl_1908999803.seq -o /var/tmp/from_scwrl_1908999803.pdb > /var/tmp/scwrl_1908999803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1908999803.pdb Number of alignments=120 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)D364 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYIS 1hh8A 3 :LVEAISL T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKS 1hh8A 10 :WNEGVLAADKKDWKGALDAFSAVQDPHSRICF T0532 92 :TLINAQKMVESV 1hh8A 42 :NIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDG 1hh8A 84 :TEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNT 1hh8A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPRHSKIDKAMECVWKQKLYEPVVIPVG T0532 282 :YYAKPAKAKLN 1hh8A 181 :RLFRPNERQVA T0532 363 :G 1hh8A 192 :Q Number of specific fragments extracted= 8 number of extra gaps= 0 total=1472 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_862909060.pdb -s /var/tmp/to_scwrl_862909060.seq -o /var/tmp/from_scwrl_862909060.pdb > /var/tmp/scwrl_862909060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862909060.pdb Number of alignments=121 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)D48 because first residue in template chain is (1hh8A)S2 T0532 49 :ITSSSASKSFIYDELLAKQM 1hh8A 3 :LVEAISLWNEGVLAADKKDW T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1hh8A 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDG 1hh8A 83 :QTEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALAT T0532 229 :LMESN 1hh8A 149 :SMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFM 1hh8A 154 :PRHSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1hh8A 177 :IPVGRLFRPN Number of specific fragments extracted= 8 number of extra gaps= 0 total=1480 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_530620078.pdb -s /var/tmp/to_scwrl_530620078.seq -o /var/tmp/from_scwrl_530620078.pdb > /var/tmp/scwrl_530620078.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_530620078.pdb Number of alignments=122 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)T457 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYI 1hh8A 3 :LVEAIS T0532 59 :IYDEL 1hh8A 9 :LWNEG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1hh8A 85 :EKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALAT T0532 229 :LME 1hh8A 149 :SMK T0532 276 :GDIR 1hh8A 152 :SEPR T0532 413 :SGEKEADIEKILTQRYLASFM 1hh8A 156 :HSKIDKAMECVWKQKLYEPVV T0532 435 :HPYD 1hh8A 177 :IPVG T0532 445 :RTGYPVLPINPA 1hh8A 181 :RLFRPNERQVAQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=1491 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1451319452.pdb -s /var/tmp/to_scwrl_1451319452.seq -o /var/tmp/from_scwrl_1451319452.pdb > /var/tmp/scwrl_1451319452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1451319452.pdb Number of alignments=123 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATG 1hh8A 18 :DKKDWKGALDA T0532 72 :ESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 29 :FSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 188 :SKWK 1hh8A 114 :LQFK T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 255 :NTKHAGYAMLSTMLIDKFKA 1hh8A 150 :MKSEPRHSKIDKAMECVWKQ T0532 402 :AAFLETPAIQL 1hh8A 175 :VVIPVGRLFRP T0532 425 :TQRYLAS 1hh8A 186 :NERQVAQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=1502 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1180140425.pdb -s /var/tmp/to_scwrl_1180140425.seq -o /var/tmp/from_scwrl_1180140425.pdb > /var/tmp/scwrl_1180140425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1180140425.pdb Number of alignments=124 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGLLLDITSSSASKSF 1hh8A 18 :DKKDWKGALDAFSAVQDPHSRICFN T0532 86 :GFGGYTTLINAQKMVESV 1hh8A 43 :IGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTA 1hh8A 87 :YDLAIKDLKEALIQLRGN T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 255 :NTKHAGYAMLSTMLIDKF 1hh8A 150 :MKSEPRHSKIDKAMECVW T0532 286 :PAKAK 1hh8A 174 :PVVIP T0532 304 :IGTDPSL 1hh8A 179 :VGRLFRP T0532 425 :TQRYLAS 1hh8A 186 :NERQVAQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=1513 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_176240089.pdb -s /var/tmp/to_scwrl_176240089.seq -o /var/tmp/from_scwrl_176240089.pdb > /var/tmp/scwrl_176240089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176240089.pdb Number of alignments=125 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)F432 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGLL 1hh8A 18 :DKKDWKGALDAFS T0532 74 :MEDYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 31 :AVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILG 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGL T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 255 :N 1hh8A 150 :M T0532 275 :TGDIRMFYYAKPAKAKLNEGVTADSWD 1hh8A 151 :KSEPRHSKIDKAMECVWKQKLYEPVVI T0532 332 :TDYPSGEP 1hh8A 178 :PVGRLFRP T0532 425 :TQRYLAS 1hh8A 186 :NERQVAQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=1524 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_150417634.pdb -s /var/tmp/to_scwrl_150417634.seq -o /var/tmp/from_scwrl_150417634.pdb > /var/tmp/scwrl_150417634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_150417634.pdb Number of alignments=126 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLA 1hh8A 18 :DKKDWKGAL T0532 70 :WGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 27 :DAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :LG 1hh8A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 186 :SISKWKKATT 1hh8A 112 :LGLQFKLFAC T0532 347 :EQNFILAEAAVRGWISGDASA 1hh8A 122 :EVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIAS 1hh8A 143 :QLALATSMKSEPR T0532 413 :SGEKEADIEKILTQRYLASFM 1hh8A 156 :HSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1hh8A 177 :IPVGRLFRPN Number of specific fragments extracted= 11 number of extra gaps= 0 total=1535 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_149564350.pdb -s /var/tmp/to_scwrl_149564350.seq -o /var/tmp/from_scwrl_149564350.pdb > /var/tmp/scwrl_149564350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149564350.pdb Number of alignments=127 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)T457 because last residue in template chain is (1hh8A)L193 T0532 3 :R 1hh8A 3 :L T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 4 :VEAISLWNEGVLAADKKDWKGALDAFSAVQDPHSRICFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFYM 1hh8A 65 :NRDKHLAVAYFQRGMLYYQT T0532 137 :EA 1hh8A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 187 :ISKWKKAT 1hh8A 114 :LQFKLFAC T0532 347 :EQNFILAEAAVRGWISGDASA 1hh8A 122 :EVLYNIAFMYAKKEEWKKAEE T0532 372 :AIRAHMEFIA 1hh8A 143 :QLALATSMKS T0532 410 :IQLSGEKEADIEKILTQRYLASFM 1hh8A 153 :EPRHSKIDKAMECVWKQKLYEPVV T0532 435 :HPYDVYY 1hh8A 177 :IPVGRLF T0532 448 :YPVLPINPA 1hh8A 184 :RPNERQVAQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=1546 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1752520863.pdb -s /var/tmp/to_scwrl_1752520863.seq -o /var/tmp/from_scwrl_1752520863.pdb > /var/tmp/scwrl_1752520863.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1752520863.pdb Number of alignments=128 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)D364 because last residue in template chain is (1hh8A)L193 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAK 1hh8A 18 :DKKDWKGALDAFSAVQDPHSRICFNIGCMYTIL T0532 87 :FGGYTTLINAQKMVE 1hh8A 51 :KNMTEAEKAFTRSIN T0532 108 :VNAYDGLAHFIKAYKIFY 1hh8A 66 :RDKHLAVAYFQRGMLYYQ T0532 143 :LGL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 255 :NTKHAGYAMLSTMLIDKFKAT 1hh8A 150 :MKSEPRHSKIDKAMECVWKQK T0532 306 :TDPSLPFEQIEKAYATEQYSG 1hh8A 171 :LYEPVVIPVGRLFRPNERQVA T0532 363 :G 1hh8A 192 :Q Number of specific fragments extracted= 10 number of extra gaps= 0 total=1556 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1954016390.pdb -s /var/tmp/to_scwrl_1954016390.seq -o /var/tmp/from_scwrl_1954016390.pdb > /var/tmp/scwrl_1954016390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1954016390.pdb Number of alignments=129 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)T34 because first residue in template chain is (1hh8A)S2 Warning: unaligning (T0532)N480 because last residue in template chain is (1hh8A)L193 T0532 35 :KVTSSLLATGLLLDITSSSA 1hh8A 3 :LVEAISLWNEGVLAADKKDW T0532 94 :INAQKMVESVSDDN 1hh8A 23 :KGALDAFSAVQDPH T0532 113 :GLAHFIKAYKIFY 1hh8A 37 :SRICFNIGCMYTI T0532 143 :LGL 1hh8A 50 :LKN T0532 153 :QKE 1hh8A 53 :MTE T0532 160 :ILSDLETAYELFSTA 1hh8A 56 :AEKAFTRSINRDKHL T0532 194 :TTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMK 1hh8A 71 :AVAYFQRGMLYYQTEKYDLAIKDLKEALIQLRGNQLIDYKILGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDASA 1hh8A 118 :LFACEVLYNIAFMYAKKEEWKKAEE T0532 372 :AIRAHMEFIASNT 1hh8A 143 :QLALATSMKSEPR T0532 413 :SGEKEADIEKIL 1hh8A 156 :HSKIDKAMECVW T0532 436 :PYD 1hh8A 168 :KQK T0532 450 :VLPINPATNR 1hh8A 171 :LYEPVVIPVG T0532 468 :MRWMYPKSESDY 1hh8A 181 :RLFRPNERQVAQ Number of specific fragments extracted= 13 number of extra gaps= 0 total=1569 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1715080603.pdb -s /var/tmp/to_scwrl_1715080603.seq -o /var/tmp/from_scwrl_1715080603.pdb > /var/tmp/scwrl_1715080603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715080603.pdb Number of alignments=130 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGL 1hh8A 18 :DKKDWKGALDAF T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 30 :SAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 343 :LGYAEQNFILAEAAVRGWISGDASA 1hh8A 118 :LFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIASN 1hh8A 143 :QLALATSMKSEPRH T0532 414 :GEKEADIEKILTQRYLASFM 1hh8A 157 :SKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1hh8A 177 :IPVGRLFRPN Number of specific fragments extracted= 10 number of extra gaps= 0 total=1579 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1024308072.pdb -s /var/tmp/to_scwrl_1024308072.seq -o /var/tmp/from_scwrl_1024308072.pdb > /var/tmp/scwrl_1024308072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1024308072.pdb Number of alignments=131 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set Warning: unaligning (T0532)K2 because first residue in template chain is (1hh8A)S2 T0532 3 :RINKYISLLLATALL 1hh8A 3 :LVEAISLWNEGVLAA T0532 34 :TKVTSSLLATGLL 1hh8A 18 :DKKDWKGALDAFS T0532 51 :SS 1hh8A 31 :AV T0532 76 :DYQYNVFGRSGFGGYTTLINAQKMVESV 1hh8A 33 :QDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :L 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGG 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQ T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 377 :MEFIAS 1hh8A 150 :MKSEPR T0532 413 :SGEKEADIEKILTQRYLASFM 1hh8A 156 :HSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1hh8A 177 :IPVGRLFRPN Number of specific fragments extracted= 11 number of extra gaps= 0 total=1590 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1517520407.pdb -s /var/tmp/to_scwrl_1517520407.seq -o /var/tmp/from_scwrl_1517520407.pdb > /var/tmp/scwrl_1517520407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1517520407.pdb Number of alignments=132 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 107 :NVNAYDGLAHFIKAYKIFY 1hh8A 65 :NRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDG 1hh8A 84 :TEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANT 1hh8A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPRHSKIDKAMECVWKQKLYE Number of specific fragments extracted= 3 number of extra gaps= 0 total=1593 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_339486974.pdb -s /var/tmp/to_scwrl_339486974.seq -o /var/tmp/from_scwrl_339486974.pdb > /var/tmp/scwrl_339486974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_339486974.pdb Number of alignments=133 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=1594 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1636286061.pdb -s /var/tmp/to_scwrl_1636286061.seq -o /var/tmp/from_scwrl_1636286061.pdb > /var/tmp/scwrl_1636286061.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636286061.pdb Number of alignments=134 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 85 :SGFGGYTTLINAQKMVESV 1hh8A 42 :NIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1hh8A 85 :EKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 1hh8A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWK Number of specific fragments extracted= 4 number of extra gaps= 0 total=1598 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1090947243.pdb -s /var/tmp/to_scwrl_1090947243.seq -o /var/tmp/from_scwrl_1090947243.pdb > /var/tmp/scwrl_1090947243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1090947243.pdb Number of alignments=135 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 87 :FGGYTTLINAQKMVESV 1hh8A 44 :GCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL Number of specific fragments extracted= 4 number of extra gaps= 0 total=1602 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1972332409.pdb -s /var/tmp/to_scwrl_1972332409.seq -o /var/tmp/from_scwrl_1972332409.pdb > /var/tmp/scwrl_1972332409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1972332409.pdb Number of alignments=136 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 88 :GGYTTLINAQKMVESV 1hh8A 45 :CMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDG 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDY Number of specific fragments extracted= 4 number of extra gaps= 0 total=1606 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_868149018.pdb -s /var/tmp/to_scwrl_868149018.seq -o /var/tmp/from_scwrl_868149018.pdb > /var/tmp/scwrl_868149018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868149018.pdb Number of alignments=137 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 84 :RSGFGGYTTLINAQKMVESV 1hh8A 41 :FNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILG 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGL T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 5 number of extra gaps= 0 total=1611 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_875472401.pdb -s /var/tmp/to_scwrl_875472401.seq -o /var/tmp/from_scwrl_875472401.pdb > /var/tmp/scwrl_875472401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875472401.pdb Number of alignments=138 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 80 :NVFGRSGFGGYTTLINAQKMVESV 1hh8A 37 :SRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :LG 1hh8A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERF 1hh8A 113 :GLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLAL Number of specific fragments extracted= 5 number of extra gaps= 0 total=1616 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1261671998.pdb -s /var/tmp/to_scwrl_1261671998.seq -o /var/tmp/from_scwrl_1261671998.pdb > /var/tmp/scwrl_1261671998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261671998.pdb Number of alignments=139 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 108 :VNAYDGLAHFIKAYKIFYM 1hh8A 66 :RDKHLAVAYFQRGMLYYQT T0532 137 :EA 1hh8A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDG 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDY Number of specific fragments extracted= 3 number of extra gaps= 0 total=1619 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2008442286.pdb -s /var/tmp/to_scwrl_2008442286.seq -o /var/tmp/from_scwrl_2008442286.pdb > /var/tmp/scwrl_2008442286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2008442286.pdb Number of alignments=140 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 89 :GYTTLINAQKMVESV 1hh8A 39 :ICFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFY 1hh8A 65 :NRDKHLAVAYFQRGMLYYQ T0532 143 :LGL 1hh8A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 5 number of extra gaps= 0 total=1624 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_979456134.pdb -s /var/tmp/to_scwrl_979456134.seq -o /var/tmp/from_scwrl_979456134.pdb > /var/tmp/scwrl_979456134.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979456134.pdb Number of alignments=141 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 93 :LINAQKMVESVSDDNVNAYDGLA 1hh8A 7 :ISLWNEGVLAADKKDWKGALDAF T0532 116 :HFIKAYKIFYMS 1hh8A 38 :RICFNIGCMYTI T0532 143 :LGL 1hh8A 50 :LKN T0532 153 :QKE 1hh8A 53 :MTE T0532 160 :ILSDLETAYELFSTA 1hh8A 56 :AEKAFTRSINRDKHL T0532 194 :TTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMK 1hh8A 71 :AVAYFQRGMLYYQTEKYDLAIKDLKEALIQLRGNQLIDYKILGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDASA 1hh8A 118 :LFACEVLYNIAFMYAKKEEWKKAEE T0532 372 :AIRAHMEFIASNT 1hh8A 143 :QLALATSMKSEPR T0532 413 :SGEKEADIEKIL 1hh8A 156 :HSKIDKAMECVW Number of specific fragments extracted= 9 number of extra gaps= 0 total=1633 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1172095372.pdb -s /var/tmp/to_scwrl_1172095372.seq -o /var/tmp/from_scwrl_1172095372.pdb > /var/tmp/scwrl_1172095372.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172095372.pdb Number of alignments=142 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 81 :VFGRSGFGGYTTLINAQKMVESV 1hh8A 38 :RICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1hh8A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFA 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALAT Number of specific fragments extracted= 5 number of extra gaps= 0 total=1638 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_911399130.pdb -s /var/tmp/to_scwrl_911399130.seq -o /var/tmp/from_scwrl_911399130.pdb > /var/tmp/scwrl_911399130.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_911399130.pdb Number of alignments=143 # 1hh8A read from all-align.a2m # found chain 1hh8A in training set T0532 82 :FGRSGFGGYTTLINAQKMVESV 1hh8A 39 :ICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1hh8A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :L 1hh8A 85 :E T0532 157 :MNFILSDLETAYELFSTA 1hh8A 87 :YDLAIKDLKEALIQLRGN T0532 175 :KDFDGDPIL 1hh8A 111 :ILGLQFKLF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1hh8A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 6 number of extra gaps= 0 total=1644 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1224422815.pdb -s /var/tmp/to_scwrl_1224422815.seq -o /var/tmp/from_scwrl_1224422815.pdb > /var/tmp/scwrl_1224422815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224422815.pdb Number of alignments=144 1ji6A expands to /projects/compbio/data/pdb/1ji6.pdb.gz 1ji6A:# 1ji6A read from all-align.a2m # adding 1ji6A to template set # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)N233 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)E234 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)D235 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)N236 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 35 :KVTSSLLATGLLLDITSSSASK 1ji6A 65 :AVGTGISVVGQILGVVGVPFAG T0532 57 :SFIYDELLAKQ 1ji6A 93 :QSFLNTIWPSD T0532 69 :AWGESMEDYQ 1ji6A 106 :PWKAFMAQVE T0532 92 :TLIN 1ji6A 116 :VLID T0532 97 :QKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGEL 1ji6A 120 :KKIEEYAKSKALAELQGLQNNFEDYVNALNSWKKTPLSLRSKRSQDR T0532 146 :VRPKYNTQKEVMNFILSDLETA 1ji6A 167 :IRELFSQAESHFRNSMPSFAVS T0532 232 :S 1ji6A 189 :K T0532 237 :LQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNE 1ji6A 194 :FLPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQLKLTQQYTDHCVNWYNV T0532 294 :GVTADSWDAYIG 1ji6A 257 :GSTYDAWVKFNR T0532 312 :FEQIEKAYATEQYSGFNAR 1ji6A 269 :FRREMTLTVLDLIVLFPFY T0532 331 :YTDYPSG 1ji6A 289 :IRLYSKG T0532 339 :PVVRLGYAEQNFILAEAAVRG 1ji6A 308 :PIFSLNTLQEYGPTFLSIENS T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEV 1ji6A 329 :IRKPHLFDYLQGIEFHTRLQPGYFGKDSF T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKE 1ji6A 359 :YWSGNYVETRPSIGSSKTITSPFYGDKS T0532 418 :ADIEKILTQRYLASFMQHPYDV 1ji6A 398 :QKVYRTIANTDVAAWPNGKVYL T0532 440 :YYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 1ji6A 428 :QYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLN T0532 490 :RQFGGVDDVNKLMWILQ 1ji6A 618 :MGFSGDKNELIIGAESF Number of specific fragments extracted= 17 number of extra gaps= 1 total=1661 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2073430390.pdb -s /var/tmp/to_scwrl_2073430390.seq -o /var/tmp/from_scwrl_2073430390.pdb > /var/tmp/scwrl_2073430390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073430390.pdb Number of alignments=145 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 9 :SLLLATALLASCD 1ji6A 69 :GISVVGQILGVVG T0532 23 :F 1ji6A 82 :V T0532 30 :PDATT 1ji6A 83 :PFAGA T0532 35 :KVTSSLL 1ji6A 94 :SFLNTIW T0532 69 :AWGESMEDYQ 1ji6A 106 :PWKAFMAQVE T0532 92 :TLIN 1ji6A 116 :VLID T0532 97 :QKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 1ji6A 120 :KKIEEYAKSKALAELQGLQNNFEDYVNALNSWKKT T0532 134 :PYEEALQGELGLVRPKYNTQKEVMNFILSDLETA 1ji6A 155 :PLSLRSKRSQDRIRELFSQAESHFRNSMPSFAVS T0532 196 :AFQLKVLMHLSKKESD 1ji6A 197 :TYAQAANTHLLLLKDA T0532 214 :LKVKERF 1ji6A 213 :QVFGEEW T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPFHNTN 1ji6A 220 :GYSSEDVAEFYHRQLKLTQQYTDHCVNWYNVG T0532 256 :TKH 1ji6A 257 :GST T0532 264 :LSTMLIDKFKAT 1ji6A 261 :DAWVKFNRFRRE T0532 277 :DIR 1ji6A 288 :DIR T0532 282 :YYAKPAKAKL 1ji6A 291 :LYSKGVKTEL T0532 296 :TADSWDAYIGT 1ji6A 301 :TRDIFTDPIFS T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPS 1ji6A 317 :EYGPTFLSIENSIRKPHLFDYLQGIEFHTR T0532 337 :GEPVVRLGYAEQNFILAEAAVRG 1ji6A 351 :YFGKDSFNYWSGNYVETRPSIGS T0532 360 :WISGD 1ji6A 376 :TITSP T0532 365 :ASAYYKKAIR 1ji6A 397 :GQKVYRTIAN T0532 375 :AHMEFIASNT 1ji6A 422 :TKVDFSQYDD T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAIQ 1ji6A 445 :RNNGHVSAQDSIDQLPPETTDEPLEKA T0532 412 :LSGEKEADIEKILTQRYL 1ji6A 476 :LNYAECFLMQDRRGTIPF T0532 430 :ASFMQHPYDVYYDYRRTGYPVLPINPAT 1ji6A 520 :AYALSSGASIIEGPGFTGGNLLFLKESS T0532 458 :NRNTMNDRLPMRWMYP 1ji6A 558 :NSAALLQRYRVRIRYA T0532 475 :SESDYNLEHQNEAL 1ji6A 574 :STTNLRLFVQNSNN T0532 489 :ERQFGGVDDV 1ji6A 617 :NMGFSGDKNE T0532 499 :NKLMWI 1ji6A 643 :DKIEFI Number of specific fragments extracted= 28 number of extra gaps= 0 total=1689 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_838221972.pdb -s /var/tmp/to_scwrl_838221972.seq -o /var/tmp/from_scwrl_838221972.pdb > /var/tmp/scwrl_838221972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_838221972.pdb Number of alignments=146 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 35 :KVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDY 1ji6A 376 :TITSPFYGDKSTEPVQKLSFDGQKVYRTIANTDVAAWPNGKVY T0532 78 :QYNVFGRSGFGGYTTLINAQKMVESVSD 1ji6A 423 :KVDFSQYDDQKNETSTQTYDSKRNNGHV T0532 106 :DNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFI 1ji6A 464 :TDEPLEKAYSHQLNYAECFLMQDRRGTIPFFTWTHRSVDFFNTIDAEKITQLPVV T0532 166 :TAYELFSTAKDFDGDPILGGSISKWKK 1ji6A 519 :KAYALSSGASIIEGPGFTGGNLLFLKE Number of specific fragments extracted= 4 number of extra gaps= 0 total=1693 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_862732129.pdb -s /var/tmp/to_scwrl_862732129.seq -o /var/tmp/from_scwrl_862732129.pdb > /var/tmp/scwrl_862732129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_862732129.pdb Number of alignments=147 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDY 1ji6A 377 :ITSPFYGDKSTEPVQKLSFDGQKVYRTIANTDVAAWPNGKVY T0532 78 :QYNVFGRSGFGGYTTLINAQKMVES 1ji6A 423 :KVDFSQYDDQKNETSTQTYDSKRNN T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNF 1ji6A 461 :PETTDEPLEKAYSHQLNYAECFLMQDRRGTIPFFTWTHRSVDFFNTIDAEKITQLPV T0532 165 :ETAYELFSTAKDFDGDPILGGSISKWKKA 1ji6A 518 :VKAYALSSGASIIEGPGFTGGNLLFLKES T0532 194 :TTAFQLKVLMHLSKK 1ji6A 548 :NSIAKFKVTLNSAAL T0532 209 :ESDADLKVKERFARIVASGSL 1ji6A 573 :ASTTNLRLFVQNSNNDFLVIY T0532 230 :MESNEDNLQMKYADKANTVYPFHNTNTKHA 1ji6A 597 :TMNKDDDLTYQTFDLATTNSNMGFSGDKNE Number of specific fragments extracted= 7 number of extra gaps= 0 total=1700 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_740222843.pdb -s /var/tmp/to_scwrl_740222843.seq -o /var/tmp/from_scwrl_740222843.pdb > /var/tmp/scwrl_740222843.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_740222843.pdb Number of alignments=148 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)M128 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)E129 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)M130 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)G131 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 1 :MKRINKYISLLLATALLASCDKFDEINTD 1ji6A 73 :VGQILGVVGVPFAGALTSFYQSFLNTIWP T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLI 1ji6A 102 :SDADPWKAFMAQVEVLIDKKIEEYAKSKALAELQGLQNNFEDYVNALNSWKKTPLSLRSKRSQD T0532 98 :KMVESVSDDNVNAYDGLAHFIKA 1ji6A 166 :RIRELFSQAESHFRNSMPSFAVS T0532 127 :S 1ji6A 189 :K T0532 132 :DLP 1ji6A 194 :FLP T0532 135 :YEEALQGELGL 1ji6A 248 :YNVGLNGLRGS T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFST 1ji6A 290 :RLYSKGVKTELTRDIFTDPIFSLNTLQE T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARIVA 1ji6A 318 :YGPTFLSIENSIRKPHLFDYLQGIEFHTRLQPG T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIG 1ji6A 352 :FGKDSFNYWSGNYVETRPSIGSSKTITSPFYGDKSTEPVQKLSFDGQKVYRTIANTDVAAWPNGKVYLGVTKVDFSQYDD T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHME 1ji6A 432 :QKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQ T0532 379 :FIASNTPDEEVYHHGHPITEEAIAAFLETPAIQL 1ji6A 518 :VKAYALSSGASIIEGPGFTGGNLLFLKESSNSIA T0532 423 :ILTQRYLASFMQHPYDVYYDYRRTGY 1ji6A 552 :KFKVTLNSAALLQRYRVRIRYASTTN T0532 451 :LPINPATNRNTMNDRLPMRWMYP 1ji6A 578 :LRLFVQNSNNDFLVIYINKTMNK T0532 476 :ESDYNLEHQNEALERQFGGVDDVNKLMWILQ 1ji6A 601 :DDDLTYQTFDLATTNSNMGFSGDKNELIIGA Number of specific fragments extracted= 14 number of extra gaps= 1 total=1714 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1269924699.pdb -s /var/tmp/to_scwrl_1269924699.seq -o /var/tmp/from_scwrl_1269924699.pdb > /var/tmp/scwrl_1269924699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1269924699.pdb Number of alignments=149 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)Y90 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)T91 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)T92 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 T0532 1 :MKRINKYISLLLATALLASCDKFDEINTD 1ji6A 73 :VGQILGVVGVPFAGALTSFYQSFLNTIWP T0532 31 :DATTKVTSSLLATGLLLDIT 1ji6A 102 :SDADPWKAFMAQVEVLIDKK T0532 51 :SSSASKS 1ji6A 156 :LSLRSKR T0532 58 :FIYDELLAKQMAWGESMEDYQYN 1ji6A 166 :RIRELFSQAESHFRNSMPSFAVS T0532 89 :G 1ji6A 189 :K T0532 93 :LINAQKM 1ji6A 213 :QVFGEEW T0532 102 :SVSDDNVNA 1ji6A 220 :GYSSEDVAE T0532 111 :YDGLAHFIKAY 1ji6A 230 :YHRQLKLTQQY T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFST 1ji6A 286 :FYDIRLYSKGVKTELTRDIFTDPIFSLNTLQE T0532 213 :DLKVKERFARI 1ji6A 338 :LQGIEFHTRLQ T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIG 1ji6A 350 :GYFGKDSFNYWSGNYVETRPSIGSSKTITSPFYGDKSTEPVQKLSFDGQKVYRTIANTDVAAWPNGKVYLGVTKVDFSQYDD T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQN 1ji6A 432 :QKNETSTQTYDSKRNNGHVSAQDSI T0532 352 :LAEAAVRGWISGDASAYYKKA 1ji6A 488 :RGTIPFFTWTHRSVDFFNTID T0532 380 :IASNTPDEEVYHHGHPITEEAIAAFLETPAIQL 1ji6A 519 :KAYALSSGASIIEGPGFTGGNLLFLKESSNSIA T0532 423 :ILTQRYLASFMQHPYDVYYDY 1ji6A 552 :KFKVTLNSAALLQRYRVRIRY T0532 444 :RRTGYPVLPINPATNRNT 1ji6A 585 :SNNDFLVIYINKTMNKDD T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 1ji6A 606 :YQTFDLATTNSNMGFSGDKNELIIGAESFVSNEKIYIDKIEFIPV Number of specific fragments extracted= 17 number of extra gaps= 1 total=1731 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_819386473.pdb -s /var/tmp/to_scwrl_819386473.seq -o /var/tmp/from_scwrl_819386473.pdb > /var/tmp/scwrl_819386473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_819386473.pdb Number of alignments=150 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 164 :LETAYELFSTAKDFDGDPILGGSI 1ji6A 517 :VVKAYALSSGASIIEGPGFTGGNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=1732 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_501739000.pdb -s /var/tmp/to_scwrl_501739000.seq -o /var/tmp/from_scwrl_501739000.pdb > /var/tmp/scwrl_501739000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_501739000.pdb Number of alignments=151 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 113 :GLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSD 1ji6A 435 :ETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQ T0532 164 :LETAYELFSTAKDFDGDPILGGSISKWKKATTAFQ 1ji6A 517 :VVKAYALSSGASIIEGPGFTGGNLLFLKESSNSIA Number of specific fragments extracted= 2 number of extra gaps= 0 total=1734 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2132833760.pdb -s /var/tmp/to_scwrl_2132833760.seq -o /var/tmp/from_scwrl_2132833760.pdb > /var/tmp/scwrl_2132833760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2132833760.pdb Number of alignments=152 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 167 :AYELFSTAKDFDGDPILGGSI 1ji6A 520 :AYALSSGASIIEGPGFTGGNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=1735 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1350006550.pdb -s /var/tmp/to_scwrl_1350006550.seq -o /var/tmp/from_scwrl_1350006550.pdb > /var/tmp/scwrl_1350006550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350006550.pdb Number of alignments=153 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 162 :SDLETAYELFSTAKDFDGDPILGGSISKWKKATTA 1ji6A 515 :LPVVKAYALSSGASIIEGPGFTGGNLLFLKESSNS T0532 211 :DADLKVK 1ji6A 550 :IAKFKVT T0532 224 :VASGSLME 1ji6A 557 :LNSAALLQ T0532 234 :EDNLQMKYADKANTVYPFHNTNTKHAGYA 1ji6A 565 :RYRVRIRYASTTNLRLFVQNSNNDFLVIY T0532 269 :IDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQ 1ji6A 594 :INKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGAESFVSNEK Number of specific fragments extracted= 5 number of extra gaps= 0 total=1740 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1953058452.pdb -s /var/tmp/to_scwrl_1953058452.seq -o /var/tmp/from_scwrl_1953058452.pdb > /var/tmp/scwrl_1953058452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953058452.pdb Number of alignments=154 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S51 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)Q491 because last residue in template chain is (1ji6A)L652 T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPS T0532 90 :Y 1ji6A 104 :A T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKDFD 1ji6A 161 :KRSQDRIRELFSQAESHFRNSMPSFAVSK T0532 183 :LGGSISK 1ji6A 194 :FLPTYAQ T0532 193 :AT 1ji6A 201 :AA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 317 :KAYATEQYSGFNAR 1ji6A 419 :LGVTKVDFSQYDDQ T0532 331 :YTDYPSGEPV 1ji6A 434 :NETSTQTYDS T0532 357 :VRGWISGDASAYYKK 1ji6A 444 :KRNNGHVSAQDSIDQ T0532 379 :FIA 1ji6A 459 :LPP T0532 413 :SGEKEADIEKILTQRYLASF 1ji6A 462 :ETTDEPLEKAYSHQLNYAEC T0532 434 :QHPYDVY 1ji6A 482 :FLMQDRR T0532 446 :TGYPVLP 1ji6A 489 :GTIPFFT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 1ji6A 610 :DLATTNSNMGFSGDKNELIIGAESFVSNEKIY T0532 487 :A 1ji6A 649 :P T0532 489 :ER 1ji6A 650 :VQ Number of specific fragments extracted= 22 number of extra gaps= 1 total=1762 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1165490538.pdb -s /var/tmp/to_scwrl_1165490538.seq -o /var/tmp/from_scwrl_1165490538.pdb > /var/tmp/scwrl_1165490538.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1165490538.pdb Number of alignments=155 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S51 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)D176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)F177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)D178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)Y479 because last residue in template chain is (1ji6A)L652 T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAK 1ji6A 161 :KRSQDRIRELFSQAESHFRNSMPSFAVSK T0532 180 :DP 1ji6A 194 :FL T0532 184 :GGSISK 1ji6A 196 :PTYAQA T0532 192 :KATTAFQLKVLMHLSKKESDADL 1ji6A 202 :ANTHLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 1ji6A 397 :GQKVYRTIANTDVAAWPNGKVYLG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 1ji6A 427 :SQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGT T0532 365 :ASAYYKK 1ji6A 511 :KITQLPV T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLETPAI 1ji6A 518 :VKAYALSSGASIIEGPGFTGGNLLFLKESSNSIAKFKV T0532 413 :SGEKEADIEKILTQRYLASF 1ji6A 556 :TLNSAALLQRYRVRIRYAST T0532 434 :QHPY 1ji6A 576 :TNLR T0532 439 :VYYDYRRTGYPVLP 1ji6A 580 :LFVQNSNNDFLVIY T0532 453 :INPATNRNTMNDRLPMRWMYPKSESD 1ji6A 626 :ELIIGAESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 19 number of extra gaps= 1 total=1781 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1526246640.pdb -s /var/tmp/to_scwrl_1526246640.seq -o /var/tmp/from_scwrl_1526246640.pdb > /var/tmp/scwrl_1526246640.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1526246640.pdb Number of alignments=156 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)D176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)F177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)D178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)G184 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)M502 because last residue in template chain is (1ji6A)L652 T0532 49 :ITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 69 :GISVVGQILGVVGVPFAGALTSFYQSFLNTIWPSDADPWKA T0532 93 :LINAQKMVESV 1ji6A 111 :MAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAK 1ji6A 161 :KRSQDRIRELFSQAESHFRNSMPSFAVSK T0532 185 :GSISK 1ji6A 194 :FLPTY T0532 191 :KKAT 1ji6A 199 :AQAA T0532 195 :TAFQLKVLMHLSK 1ji6A 205 :HLLLLKDAQVFGE T0532 212 :ADL 1ji6A 218 :EWG T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 288 :KAKLNEGVTAD 1ji6A 408 :DVAAWPNGKVY T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 1ji6A 427 :SQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGT T0532 365 :ASAYYKK 1ji6A 500 :SVDFFNT T0532 373 :IRAH 1ji6A 507 :IDAE T0532 378 :EFIASNTPDEEVYHHGHPITEEAI 1ji6A 511 :KITQLPVVKAYALSSGASIIEGPG T0532 407 :T 1ji6A 552 :K T0532 410 :IQLSGEKEADIEKILTQRYLASF 1ji6A 553 :FKVTLNSAALLQRYRVRIRYAST T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 1ji6A 610 :DLATTNSNMGFSGDKNELIIGAESFVSNEKIYIDKIE T0532 497 :DVNKL 1ji6A 647 :FIPVQ Number of specific fragments extracted= 21 number of extra gaps= 1 total=1802 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2103476086.pdb -s /var/tmp/to_scwrl_2103476086.seq -o /var/tmp/from_scwrl_2103476086.pdb > /var/tmp/scwrl_2103476086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103476086.pdb Number of alignments=157 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S51 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)E476 because last residue in template chain is (1ji6A)L652 T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQ 1ji6A 144 :YVNALNSWKKTPLSLRSK T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1ji6A 162 :RSQDRIRELFSQAESHFRNSMPSFA T0532 183 :L 1ji6A 194 :F T0532 186 :SI 1ji6A 195 :LP T0532 192 :KATTAFQLKVLMHLSKKESDA 1ji6A 197 :TYAQAANTHLLLLKDAQVFGE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 253 :NTNTKHAGYAMLSTMLIDKFKATG 1ji6A 309 :IFSLNTLQEYGPTFLSIENSIRKP T0532 434 :QHPYDVYYDYRRTGYPVLP 1ji6A 476 :LNYAECFLMQDRRGTIPFF T0532 453 :INPATNRNTMN 1ji6A 632 :ESFVSNEKIYI T0532 465 :RLPMRWMY 1ji6A 643 :DKIEFIPV T0532 475 :S 1ji6A 651 :Q Number of specific fragments extracted= 15 number of extra gaps= 1 total=1817 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1315054889.pdb -s /var/tmp/to_scwrl_1315054889.seq -o /var/tmp/from_scwrl_1315054889.pdb > /var/tmp/scwrl_1315054889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315054889.pdb Number of alignments=158 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)D176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)F177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)D178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)G185 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)K474 because last residue in template chain is (1ji6A)L652 T0532 35 :KVTSSLLATGLLLDITSSS 1ji6A 65 :AVGTGISVVGQILGVVGVP T0532 71 :GESMEDYQYNVFGRSGFGG 1ji6A 84 :FAGALTSFYQSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQ 1ji6A 144 :YVNALNSWKKTPLSLRSK T0532 148 :PKYNTQKEVMNFILSDLETAYELFSTAK 1ji6A 162 :RSQDRIRELFSQAESHFRNSMPSFAVSK T0532 186 :SISKWKKAT 1ji6A 194 :FLPTYAQAA T0532 195 :TAFQLKVLMHLSKKES 1ji6A 205 :HLLLLKDAQVFGEEWG T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 301 :DAYIGT 1ji6A 416 :KVYLGV T0532 317 :KAYATEQYSGFNAR 1ji6A 422 :TKVDFSQYDDQKNE T0532 453 :INPATNRNTMNDRLPMRWMYP 1ji6A 631 :AESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 13 number of extra gaps= 1 total=1830 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1131283856.pdb -s /var/tmp/to_scwrl_1131283856.seq -o /var/tmp/from_scwrl_1131283856.pdb > /var/tmp/scwrl_1131283856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1131283856.pdb Number of alignments=159 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)K474 because last residue in template chain is (1ji6A)L652 T0532 35 :KVTSSLLATGLLLDIT 1ji6A 65 :AVGTGISVVGQILGVV T0532 51 :SSSASKSFIYD 1ji6A 83 :PFAGALTSFYQ T0532 66 :KQMAWGES 1ji6A 94 :SFLNTIWP T0532 82 :FGRSGFG 1ji6A 102 :SDADPWK T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 154 :KEVMNFILSDLETAYELF 1ji6A 161 :KRSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGGSI 1ji6A 194 :FLPTY T0532 191 :KKAT 1ji6A 199 :AQAA T0532 195 :TAFQLKVLMHLSKKESDAD 1ji6A 205 :HLLLLKDAQVFGEEWGYSS T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1ji6A 294 :KGVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENS T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 1ji6A 486 :DRRGTIPFFTWTHRSVDFFNTIDA T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 1ji6A 548 :NSIAKFKVTLNSAALLQRYRVRIRYASTTN T0532 331 :YTDYPSGEPVVRL 1ji6A 580 :LFVQNSNNDFLVI T0532 454 :NPATNRNTMNDRLPMRWMYP 1ji6A 632 :ESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 19 number of extra gaps= 1 total=1849 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1910008830.pdb -s /var/tmp/to_scwrl_1910008830.seq -o /var/tmp/from_scwrl_1910008830.pdb > /var/tmp/scwrl_1910008830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910008830.pdb Number of alignments=160 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)D176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)F177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)D178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)G185 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)K474 because last residue in template chain is (1ji6A)L652 T0532 35 :KVTSSLLATGLLLDITSSSAS 1ji6A 65 :AVGTGISVVGQILGVVGVPFA T0532 66 :KQMAWGESMEDYQ 1ji6A 86 :GALTSFYQSFLNT T0532 80 :NVFGRSGFGG 1ji6A 100 :WPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAK 1ji6A 163 :SQDRIRELFSQAESHFRNSMPSFAVSK T0532 186 :SISKWKKAT 1ji6A 194 :FLPTYAQAA T0532 195 :TAFQLKVLMHLSKKESD 1ji6A 205 :HLLLLKDAQVFGEEWGY T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 1ji6A 486 :DRRGTIPFFTWTHRSVDFFNTIDA T0532 454 :NPATNRNTMNDRLPMRWMYP 1ji6A 632 :ESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 13 number of extra gaps= 1 total=1862 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_882651846.pdb -s /var/tmp/to_scwrl_882651846.seq -o /var/tmp/from_scwrl_882651846.pdb > /var/tmp/scwrl_882651846.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_882651846.pdb Number of alignments=161 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)K22 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)Q491 because last residue in template chain is (1ji6A)L652 T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELF 1ji6A 163 :SQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGGSISK 1ji6A 194 :FLPTYAQ T0532 193 :AT 1ji6A 201 :AA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 281 :FYYAKPAKAKLNEGVTADSW 1ji6A 401 :YRTIANTDVAAWPNGKVYLG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 1ji6A 427 :SQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGT T0532 373 :IRAHMEFIASNTPD 1ji6A 497 :THRSVDFFNTIDAE T0532 394 :HPITEEAIAAF 1ji6A 511 :KITQLPVVKAY T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 1ji6A 610 :DLATTNSNMGFSGDKNELIIGAESFVSNEKIY T0532 487 :ALER 1ji6A 648 :IPVQ Number of specific fragments extracted= 18 number of extra gaps= 1 total=1880 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_8108281.pdb -s /var/tmp/to_scwrl_8108281.seq -o /var/tmp/from_scwrl_8108281.pdb > /var/tmp/scwrl_8108281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_8108281.pdb Number of alignments=162 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 35 :KVTSSLLATGLLLDIT 1ji6A 65 :AVGTGISVVGQILGVV T0532 51 :SSSASKS 1ji6A 83 :PFAGALT T0532 80 :NVFGRSGFG 1ji6A 100 :WPSDADPWK T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 1ji6A 163 :SQDRIRELFSQAESHFRNSMPSFAVSK T0532 183 :LGGSISK 1ji6A 194 :FLPTYAQ T0532 193 :AT 1ji6A 201 :AA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 252 :HNTNTKHAGYAMLSTMLI 1ji6A 308 :PIFSLNTLQEYGPTFLSI T0532 274 :ATG 1ji6A 326 :ENS T0532 277 :DIRMFYYAKPAKAKLNEGV 1ji6A 397 :GQKVYRTIANTDVAAWPNG T0532 301 :DAYIGT 1ji6A 416 :KVYLGV T0532 317 :KAYATEQYSGFNAR 1ji6A 422 :TKVDFSQYDDQKNE T0532 332 :TDYPSGE 1ji6A 443 :SKRNNGH T0532 365 :ASAYYKK 1ji6A 452 :AQDSIDQ T0532 379 :FIASNT 1ji6A 459 :LPPETT T0532 393 :GHPITEEAIAA 1ji6A 465 :DEPLEKAYSHQ T0532 413 :SGEKE 1ji6A 556 :TLNSA T0532 430 :ASF 1ji6A 561 :ALL T0532 438 :DVYYDYRRTGYPV 1ji6A 564 :QRYRVRIRYASTT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESD 1ji6A 611 :LATTNSNMGFSGDKNELIIGAESFVS T0532 499 :NKLMW 1ji6A 637 :NEKIY T0532 504 :ILQ 1ji6A 650 :VQL Number of specific fragments extracted= 27 number of extra gaps= 1 total=1907 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1280045590.pdb -s /var/tmp/to_scwrl_1280045590.seq -o /var/tmp/from_scwrl_1280045590.pdb > /var/tmp/scwrl_1280045590.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280045590.pdb Number of alignments=163 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T37 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 38 :SSLLATGLLLDIT 1ji6A 65 :AVGTGISVVGQIL T0532 51 :SSSASKSFIYDELLA 1ji6A 83 :PFAGALTSFYQSFLN T0532 85 :SGFGG 1ji6A 98 :TIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLP 1ji6A 144 :YVNALNSWKKTP T0532 143 :LGLVR 1ji6A 156 :LSLRS T0532 154 :KEVMNFILSDLETAYELF 1ji6A 161 :KRSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :L 1ji6A 194 :F T0532 192 :KATTAFQLKVLMHL 1ji6A 195 :LPTYAQAANTHLLL T0532 206 :SKKESDAD 1ji6A 213 :QVFGEEWG T0532 215 :KVKERFARIVAS 1ji6A 243 :HCVNWYNVGLNG T0532 229 :LMESNEDNL 1ji6A 255 :LRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 295 :GVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENSIRKPH T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 1ji6A 336 :DYLQGIEFHTRLQPGYFGKDSFNY T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 1ji6A 406 :NTDVAAWPNGKVYLGVTKVDFSQYDDQKNE T0532 331 :YTDYPSGEP 1ji6A 443 :SKRNNGHVS T0532 365 :ASAYYKK 1ji6A 452 :AQDSIDQ T0532 379 :FIASNT 1ji6A 459 :LPPETT T0532 413 :SGEKEAD 1ji6A 465 :DEPLEKA T0532 434 :QHPYDVYYDYRRT 1ji6A 484 :MQDRRGTIPFFTW T0532 467 :PMRWMYPKS 1ji6A 615 :NSNMGFSGD T0532 494 :GVDDVNKLMW 1ji6A 632 :ESFVSNEKIY T0532 504 :ILQ 1ji6A 650 :VQL Number of specific fragments extracted= 25 number of extra gaps= 1 total=1932 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1222138819.pdb -s /var/tmp/to_scwrl_1222138819.seq -o /var/tmp/from_scwrl_1222138819.pdb > /var/tmp/scwrl_1222138819.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1222138819.pdb Number of alignments=164 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)K474 because last residue in template chain is (1ji6A)L652 T0532 35 :KVTSSLLATGLLLDIT 1ji6A 65 :AVGTGISVVGQILGVV T0532 51 :SSSASKSFIYDELL 1ji6A 83 :PFAGALTSFYQSFL T0532 69 :AW 1ji6A 97 :NT T0532 80 :NVFGRSGFG 1ji6A 100 :WPSDADPWK T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 154 :KEVMNFILSDLETAYELF 1ji6A 161 :KRSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGG 1ji6A 194 :FLP T0532 192 :KATTAFQLKVLMHL 1ji6A 197 :TYAQAANTHLLLLK T0532 206 :SKKESDADL 1ji6A 212 :AQVFGEEWG T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 295 :GVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENSIRKP T0532 277 :DIRMFYYAK 1ji6A 486 :DRRGTIPFF T0532 454 :NPATNRNTMNDRLPMRWMYP 1ji6A 632 :ESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 17 number of extra gaps= 1 total=1949 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1644394343.pdb -s /var/tmp/to_scwrl_1644394343.seq -o /var/tmp/from_scwrl_1644394343.pdb > /var/tmp/scwrl_1644394343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1644394343.pdb Number of alignments=165 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)K474 because last residue in template chain is (1ji6A)L652 T0532 35 :KVTSSLLATGLLLDIT 1ji6A 65 :AVGTGISVVGQILGVV T0532 51 :SSSASKSFIYDEL 1ji6A 83 :PFAGALTSFYQSF T0532 68 :MAWGESM 1ji6A 96 :LNTIWPS T0532 83 :GRSGFG 1ji6A 103 :DADPWK T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQ 1ji6A 144 :YVNALNSWKKTPLSLRSK T0532 155 :EVMNFILSDLETAYELF 1ji6A 162 :RSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGGSIS 1ji6A 194 :FLPTYA T0532 192 :KAT 1ji6A 200 :QAA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 294 :KGVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENSIRKP T0532 277 :DIRMFYYAKPAK 1ji6A 486 :DRRGTIPFFTWT T0532 301 :DAYIGTDPSLPFEQI 1ji6A 498 :HRSVDFFNTIDAEKI T0532 317 :KAYATEQYSGFNAR 1ji6A 513 :TQLPVVKAYALSSG T0532 331 :YTDYPSGEPVVRLG 1ji6A 531 :EGPGFTGGNLLFLK T0532 384 :TPDEEVYHHGH 1ji6A 545 :ESSNSIAKFKV T0532 413 :SGEKEADI 1ji6A 556 :TLNSAALL T0532 438 :DVYYDYRRTGYPV 1ji6A 564 :QRYRVRIRYASTT T0532 454 :NPATNRNTMNDRLPMRWMYP 1ji6A 632 :ESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 23 number of extra gaps= 1 total=1972 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_223509187.pdb -s /var/tmp/to_scwrl_223509187.seq -o /var/tmp/from_scwrl_223509187.pdb > /var/tmp/scwrl_223509187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_223509187.pdb Number of alignments=166 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 55 :SKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 68 :TGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKDFD 1ji6A 161 :KRSQDRIRELFSQAESHFRNSMPSFAVSK T0532 183 :LGGSISK 1ji6A 194 :FLPTYAQ T0532 193 :AT 1ji6A 201 :AA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 301 :DAYIGTDPSLPFE 1ji6A 439 :QTYDSKRNNGHVS T0532 317 :KAYATEQYSGFNA 1ji6A 452 :AQDSIDQLPPETT T0532 332 :TDYPSGEPVVRLGYAEQNFI 1ji6A 465 :DEPLEKAYSHQLNYAECFLM Number of specific fragments extracted= 14 number of extra gaps= 1 total=1986 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1046987582.pdb -s /var/tmp/to_scwrl_1046987582.seq -o /var/tmp/from_scwrl_1046987582.pdb > /var/tmp/scwrl_1046987582.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1046987582.pdb Number of alignments=167 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 195 :TAFQLKVLMHLSKKES 1ji6A 108 :KAFMAQVEVLIDKKIE T0532 216 :VKERFARIVASGSLMESNEDNL 1ji6A 124 :EYAKSKALAELQGLQNNFEDYV T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 1ji6A 397 :GQKVYRTIANTDVAAWPNGKVYLG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 1ji6A 427 :SQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGT Number of specific fragments extracted= 5 number of extra gaps= 0 total=1991 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_365059714.pdb -s /var/tmp/to_scwrl_365059714.seq -o /var/tmp/from_scwrl_365059714.pdb > /var/tmp/scwrl_365059714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_365059714.pdb Number of alignments=168 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)D176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 T0532 80 :NVFGRSGFGG 1ji6A 100 :WPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAK 1ji6A 161 :KRSQDRIRELFSQAESHFRNSMPSFAVSK T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 1ji6A 427 :SQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGT T0532 365 :ASAYYKK 1ji6A 500 :SVDFFNT T0532 373 :IRAH 1ji6A 507 :IDAE T0532 378 :EFIASNTPDEEVYHHGHPIT 1ji6A 511 :KITQLPVVKAYALSSGASII Number of specific fragments extracted= 10 number of extra gaps= 1 total=2001 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1098981588.pdb -s /var/tmp/to_scwrl_1098981588.seq -o /var/tmp/from_scwrl_1098981588.pdb > /var/tmp/scwrl_1098981588.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098981588.pdb Number of alignments=169 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 67 :GTGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQ 1ji6A 144 :YVNALNSWKKTPLSLRSK T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1ji6A 162 :RSQDRIRELFSQAESHFRNSMPSFA T0532 183 :L 1ji6A 194 :F T0532 186 :SI 1ji6A 195 :LP T0532 192 :KATTAFQLKVLMHLSKKESDA 1ji6A 197 :TYAQAANTHLLLLKDAQVFGE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 277 :DIRMFYYAKPAKAKLNEGVTA 1ji6A 486 :DRRGTIPFFTWTHRSVDFFNT Number of specific fragments extracted= 11 number of extra gaps= 1 total=2012 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_161175934.pdb -s /var/tmp/to_scwrl_161175934.seq -o /var/tmp/from_scwrl_161175934.pdb > /var/tmp/scwrl_161175934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161175934.pdb Number of alignments=170 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)D176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)F177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)D178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)G185 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 57 :SFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1ji6A 70 :ISVVGQILGVVGVPFAGALTSFYQSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQ 1ji6A 144 :YVNALNSWKKTPLSLRSK T0532 148 :PKYNTQKEVMNFILSDLETAYELFSTAK 1ji6A 162 :RSQDRIRELFSQAESHFRNSMPSFAVSK T0532 186 :SISKWKKAT 1ji6A 194 :FLPTYAQAA T0532 195 :TAFQLKVLMHLSKKES 1ji6A 205 :HLLLLKDAQVFGEEWG T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW Number of specific fragments extracted= 9 number of extra gaps= 1 total=2021 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_226018354.pdb -s /var/tmp/to_scwrl_226018354.seq -o /var/tmp/from_scwrl_226018354.pdb > /var/tmp/scwrl_226018354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226018354.pdb Number of alignments=171 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 61 :DELLAKQMAWGESMEDYQY 1ji6A 70 :ISVVGQILGVVGVPFAGAL T0532 80 :NVFGRSGFG 1ji6A 100 :WPSDADPWK T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 154 :KEVMNFILSDLETAYELF 1ji6A 161 :KRSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGGSI 1ji6A 194 :FLPTY T0532 191 :KKAT 1ji6A 199 :AQAA T0532 195 :TAFQLKVLMHLSKKESDAD 1ji6A 205 :HLLLLKDAQVFGEEWGYSS T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1ji6A 294 :KGVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENS T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 1ji6A 486 :DRRGTIPFFTWTHRSVDFFNTIDA T0532 331 :YTDYPSGEPVVRL 1ji6A 531 :EGPGFTGGNLLFL Number of specific fragments extracted= 15 number of extra gaps= 1 total=2036 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2078437722.pdb -s /var/tmp/to_scwrl_2078437722.seq -o /var/tmp/from_scwrl_2078437722.pdb > /var/tmp/scwrl_2078437722.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2078437722.pdb Number of alignments=172 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)D176 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)F177 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)D178 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)G185 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 63 :LLAKQMAWGESMEDYQY 1ji6A 72 :VVGQILGVVGVPFAGAL T0532 80 :NVFGRSGFGG 1ji6A 100 :WPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAK 1ji6A 163 :SQDRIRELFSQAESHFRNSMPSFAVSK T0532 186 :SISKWKKAT 1ji6A 194 :FLPTYAQAA T0532 195 :TAFQLKVLMHLSKKESD 1ji6A 205 :HLLLLKDAQVFGEEWGY T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 1ji6A 486 :DRRGTIPFFTWTHRSVDFFNTIDA Number of specific fragments extracted= 11 number of extra gaps= 1 total=2047 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1333271306.pdb -s /var/tmp/to_scwrl_1333271306.seq -o /var/tmp/from_scwrl_1333271306.pdb > /var/tmp/scwrl_1333271306.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1333271306.pdb Number of alignments=173 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 67 :QMAWGESME 1ji6A 80 :VGVPFAGAL T0532 80 :NVFGRSGFGG 1ji6A 93 :QSFLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELF 1ji6A 163 :SQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGGSISK 1ji6A 194 :FLPTYAQ T0532 193 :AT 1ji6A 201 :AA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVASG 1ji6A 236 :LTQQYTDHCVNWY T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 334 :LFDYLQGIEFHTRLQPGYFGKDSFNYWSGNYVETRPSIG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGW 1ji6A 427 :SQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQD Number of specific fragments extracted= 14 number of extra gaps= 1 total=2061 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1137417483.pdb -s /var/tmp/to_scwrl_1137417483.seq -o /var/tmp/from_scwrl_1137417483.pdb > /var/tmp/scwrl_1137417483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137417483.pdb Number of alignments=174 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 59 :IYDELLAKQMAWGESMEDYQY 1ji6A 68 :TGISVVGQILGVVGVPFAGAL T0532 82 :FGRSGFGG 1ji6A 95 :FLNTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 1ji6A 163 :SQDRIRELFSQAESHFRNSMPSFAVSK T0532 183 :LGGSISK 1ji6A 194 :FLPTYAQ T0532 193 :AT 1ji6A 201 :AA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPF 1ji6A 602 :DDLTYQTFDLATTNSNMGFSGDKNELIIGAESFVSN T0532 317 :KAYAT 1ji6A 638 :EKIYI Number of specific fragments extracted= 13 number of extra gaps= 1 total=2074 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1155376890.pdb -s /var/tmp/to_scwrl_1155376890.seq -o /var/tmp/from_scwrl_1155376890.pdb > /var/tmp/scwrl_1155376890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1155376890.pdb Number of alignments=175 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 40 :LLATGLLLDIT 1ji6A 67 :GTGISVVGQIL T0532 51 :SSSASKSFIYDELL 1ji6A 83 :PFAGALTSFYQSFL T0532 84 :RSGFGG 1ji6A 97 :NTIWPS T0532 90 :YTTLINAQKMVESV 1ji6A 104 :ADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLP 1ji6A 144 :YVNALNSWKKTP T0532 143 :LGLVR 1ji6A 156 :LSLRS T0532 154 :KEVMNFILSDLETAYELF 1ji6A 161 :KRSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :L 1ji6A 194 :F T0532 192 :KATTAFQLKVLMHL 1ji6A 195 :LPTYAQAANTHLLL T0532 206 :SKKESDAD 1ji6A 213 :QVFGEEWG T0532 215 :KVKERFARIVAS 1ji6A 243 :HCVNWYNVGLNG T0532 229 :LMESNEDNL 1ji6A 255 :LRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 295 :GVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENSIRKPH T0532 277 :DIRMFYYAKPAKAKLNEGVTADS 1ji6A 398 :QKVYRTIANTDVAAWPNGKVYLG T0532 301 :DAYIGTDPSLPFEQI 1ji6A 595 :NKTMNKDDDLTYQTF T0532 317 :KAYATEQYSGFNAR 1ji6A 610 :DLATTNSNMGFSGD T0532 331 :YTDYPSGEPVVR 1ji6A 631 :AESFVSNEKIYI Number of specific fragments extracted= 19 number of extra gaps= 1 total=2093 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1259218049.pdb -s /var/tmp/to_scwrl_1259218049.seq -o /var/tmp/from_scwrl_1259218049.pdb > /var/tmp/scwrl_1259218049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1259218049.pdb Number of alignments=176 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 61 :DELLAKQMAWGESMEDYQY 1ji6A 70 :ISVVGQILGVVGVPFAGAL T0532 80 :NVFGRSGFGG 1ji6A 100 :WPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEAL 1ji6A 144 :YVNALNSWKKTPLSLRS T0532 154 :KEVMNFILSDLETAYELF 1ji6A 161 :KRSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGG 1ji6A 194 :FLP T0532 192 :KATTAFQLKVLMHL 1ji6A 197 :TYAQAANTHLLLLK T0532 206 :SKKESDADL 1ji6A 212 :AQVFGEEWG T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 296 :VKTELTRDIFTDPIFSLNTLQEYGPTFLSIENSIRKP T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 1ji6A 486 :DRRGTIPFFTWTHRSVDFFNTIDAEKITQLPVVKAYALS T0532 317 :KAYATEQYSGFNAR 1ji6A 525 :SGASIIEGPGFTGG Number of specific fragments extracted= 15 number of extra gaps= 1 total=2108 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1975639456.pdb -s /var/tmp/to_scwrl_1975639456.seq -o /var/tmp/from_scwrl_1975639456.pdb > /var/tmp/scwrl_1975639456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1975639456.pdb Number of alignments=177 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 61 :DELLAKQMAWGESMEDYQY 1ji6A 70 :ISVVGQILGVVGVPFAGAL T0532 80 :NVFGRSGFG 1ji6A 100 :WPSDADPWK T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQ 1ji6A 144 :YVNALNSWKKTPLSLRSK T0532 155 :EVMNFILSDLETAYELF 1ji6A 162 :RSQDRIRELFSQAESHF T0532 172 :STAKDFD 1ji6A 183 :PSFAVSK T0532 183 :LGGSIS 1ji6A 194 :FLPTYA T0532 192 :KAT 1ji6A 200 :QAA T0532 195 :TAFQLKVLMHLSKKESDADL 1ji6A 205 :HLLLLKDAQVFGEEWGYSSE T0532 215 :KVKERFARIVA 1ji6A 236 :LTQQYTDHCVN T0532 228 :SLMESNEDNL 1ji6A 254 :GLRGSTYDAW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1ji6A 294 :KGVKTELTRDIFTDPIFSLNTLQEYGPTFLSIENSIRKP T0532 277 :DIRMFYYAKPAK 1ji6A 486 :DRRGTIPFFTWT T0532 301 :DAYIGTDPSLPFEQI 1ji6A 498 :HRSVDFFNTIDAEKI T0532 317 :KAYATEQYSGFNAR 1ji6A 513 :TQLPVVKAYALSSG T0532 331 :YTDYPSGEPVVRL 1ji6A 531 :EGPGFTGGNLLFL Number of specific fragments extracted= 17 number of extra gaps= 1 total=2125 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2018109019.pdb -s /var/tmp/to_scwrl_2018109019.seq -o /var/tmp/from_scwrl_2018109019.pdb > /var/tmp/scwrl_2018109019.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2018109019.pdb Number of alignments=178 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T43 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)A456 because last residue in template chain is (1ji6A)L652 T0532 44 :GLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFG 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLA 1ji6A 123 :EEYAKSKALAEL T0532 124 :FYMSMEMGD 1ji6A 135 :QGLQNNFED T0532 135 :YEEALQG 1ji6A 144 :YVNALNS T0532 142 :ELGLVRPKYNTQKE 1ji6A 153 :KTPLSLRSKRSQDR T0532 160 :ILSDLETAYELFSTA 1ji6A 167 :IRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1ji6A 197 :TYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHR T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAML 1ji6A 233 :QLKLTQQYTDHCVNWYNVGLNGLRGSTYDAWVKFNRFRR T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQ 1ji6A 596 :KTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGAE T0532 437 :YDVYYDYRRTGYPVLPINP 1ji6A 633 :SFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 13 number of extra gaps= 1 total=2138 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1999440892.pdb -s /var/tmp/to_scwrl_1999440892.seq -o /var/tmp/from_scwrl_1999440892.pdb > /var/tmp/scwrl_1999440892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1999440892.pdb Number of alignments=179 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S51 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)A456 because last residue in template chain is (1ji6A)L652 T0532 52 :SSASKSFIYDELLAKQM 1ji6A 65 :AVGTGISVVGQILGVVG T0532 69 :AWGESMEDYQYNVFGRSGFGGY 1ji6A 86 :GALTSFYQSFLNTIWPSDADPW T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGELG 1ji6A 144 :YVNALNSWKKTPLSLRSKRSQD T0532 159 :FILSDLETAYELFSTA 1ji6A 166 :RIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1ji6A 195 :LPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHR T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 1ji6A 233 :QLKLTQQYTDHCVNWYNVGLNGLRGS T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 263 :WVKFNRFRREMTLTVLDLIVLFPFYDIRLYSKGVKTELTRDIFTDPIFSL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 1ji6A 428 :QYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGTIPFFTWTHRSVDFFNTIDAEKITQL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILT 1ji6A 596 :KTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 436 :PYDVYYDYRRTGYPVLPINP 1ji6A 632 :ESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 14 number of extra gaps= 1 total=2152 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1098080508.pdb -s /var/tmp/to_scwrl_1098080508.seq -o /var/tmp/from_scwrl_1098080508.pdb > /var/tmp/scwrl_1098080508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098080508.pdb Number of alignments=180 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S39 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)A456 because last residue in template chain is (1ji6A)L652 T0532 44 :GLLLDITSSSASKSFIYDELLAKQ 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGAL T0532 69 :AWGESMEDYQYNVFGRSGFGG 1ji6A 90 :SFYQSFLNTIWPSDADPWKAF T0532 93 :LINAQKMVESV 1ji6A 111 :MAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGE 1ji6A 144 :YVNALNSWKKTPLSLRSKRS T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 177 :FD 1ji6A 188 :SK T0532 183 :LG 1ji6A 194 :FL T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1ji6A 196 :PTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHR T0532 226 :SGSLMESNEDNLQMKYADKA 1ji6A 233 :QLKLTQQYTDHCVNWYNVGL T0532 262 :AMLSTMLIDKF 1ji6A 253 :NGLRGSTYDAW T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 284 :FPFYDIRLYSKGVKTELTRDIFTDPIFSL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 1ji6A 428 :QYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGTIPFFTWT T0532 374 :RAHMEFIASNTPDEEV 1ji6A 498 :HRSVDFFNTIDAEKIT T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILT 1ji6A 596 :KTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 436 :PYDVYYDYRRTGYPVLPINP 1ji6A 632 :ESFVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 16 number of extra gaps= 1 total=2168 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_690011845.pdb -s /var/tmp/to_scwrl_690011845.seq -o /var/tmp/from_scwrl_690011845.pdb > /var/tmp/scwrl_690011845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_690011845.pdb Number of alignments=181 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S39 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)W470 because last residue in template chain is (1ji6A)L652 T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQM 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQ T0532 73 :SMEDYQYNVFGRSGFG 1ji6A 94 :SFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGE 1ji6A 144 :YVNALNSWKKTPLSLRSKRS T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :LG 1ji6A 194 :FL T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARI 1ji6A 196 :PTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQ T0532 227 :GSLMESN 1ji6A 234 :LKLTQQY T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGY 1ji6A 588 :DFLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 458 :NRNTMNDRLPMR 1ji6A 640 :IYIDKIEFIPVQ Number of specific fragments extracted= 12 number of extra gaps= 1 total=2180 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_353696245.pdb -s /var/tmp/to_scwrl_353696245.seq -o /var/tmp/from_scwrl_353696245.pdb > /var/tmp/scwrl_353696245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353696245.pdb Number of alignments=182 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S39 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)T457 because last residue in template chain is (1ji6A)L652 T0532 52 :SSASKSFIYDELLAKQM 1ji6A 65 :AVGTGISVVGQILGVVG T0532 69 :AWGESMEDYQYNVFGRSGF 1ji6A 90 :SFYQSFLNTIWPSDADPWK T0532 91 :TTLINAQKMVESV 1ji6A 109 :AFMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGE 1ji6A 144 :YVNALNSWKKTPLSLRSKRS T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARI 1ji6A 195 :LPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQ T0532 227 :GSLMESNEDNLQMKYADKA 1ji6A 234 :LKLTQQYTDHCVNWYNVGL T0532 256 :TKHAGYAMLSTMLIDKF 1ji6A 253 :NGLRGSTYDAWVKFNRF T0532 273 :KATGD 1ji6A 584 :NSNND T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGY 1ji6A 589 :FLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 382 :SNTP 1ji6A 633 :SFVS T0532 436 :PYDVYYD 1ji6A 637 :NEKIYID T0532 448 :YPVLP 1ji6A 644 :KIEFI T0532 454 :NPA 1ji6A 649 :PVQ Number of specific fragments extracted= 17 number of extra gaps= 1 total=2197 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1083430621.pdb -s /var/tmp/to_scwrl_1083430621.seq -o /var/tmp/from_scwrl_1083430621.pdb > /var/tmp/scwrl_1083430621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1083430621.pdb Number of alignments=183 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)T457 because last residue in template chain is (1ji6A)L652 T0532 35 :KVTSSLLATGLLLDITSSSASKSFIY 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTS T0532 70 :WGESMEDYQYNVFGRSGFG 1ji6A 91 :FYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELFSTA 1ji6A 163 :SQDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDA 1ji6A 197 :TYAQAANTHLLLLKDAQVFGEEWGYS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGY 1ji6A 588 :DFLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 452 :PINPA 1ji6A 647 :FIPVQ Number of specific fragments extracted= 10 number of extra gaps= 1 total=2207 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2040018396.pdb -s /var/tmp/to_scwrl_2040018396.seq -o /var/tmp/from_scwrl_2040018396.pdb > /var/tmp/scwrl_2040018396.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2040018396.pdb Number of alignments=184 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S39 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)E476 because last residue in template chain is (1ji6A)L652 T0532 40 :LLATGLLLDITSSSASKSFIYD 1ji6A 65 :AVGTGISVVGQILGVVGVPFAG T0532 66 :KQMAWGESMEDYQYNVFGRSGFG 1ji6A 87 :ALTSFYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGE 1ji6A 144 :YVNALNSWKKTPLSLRSKRS T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSL 1ji6A 195 :LPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQLKLTQQ T0532 233 :NEDNLQMKY 1ji6A 240 :YTDHCVNWY T0532 252 :HNTNTKHAGYAMLSTMLID 1ji6A 249 :NVGLNGLRGSTYDAWVKFN T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 482 :FLMQDRRGTIPFFTWTHRSVDFFNTIDAE T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGY 1ji6A 551 :AKFKVTLNSAALLQRYRVRIRYASTTNLRLFVQNSNNDFLVIYI T0532 357 :VRGWISGDASAY 1ji6A 595 :NKTMNKDDDLTY T0532 388 :EVYHHGHP 1ji6A 607 :QTFDLATT T0532 407 :TPAIQLSGEKE 1ji6A 615 :NSNMGFSGDKN T0532 450 :VLP 1ji6A 626 :ELI T0532 458 :NRNTMNDRLPMRWMYPKS 1ji6A 634 :FVSNEKIYIDKIEFIPVQ Number of specific fragments extracted= 18 number of extra gaps= 1 total=2225 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_159271051.pdb -s /var/tmp/to_scwrl_159271051.seq -o /var/tmp/from_scwrl_159271051.pdb > /var/tmp/scwrl_159271051.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_159271051.pdb Number of alignments=185 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T43 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)A456 because last residue in template chain is (1ji6A)L652 T0532 44 :GLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFG 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 152 :T 1ji6A 163 :S T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :LG 1ji6A 194 :FL T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1ji6A 196 :PTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHR T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 1ji6A 233 :QLKLTQQYTDHCVNWYNVGLNGLRGS T0532 252 :HNTNTKHAGYAML 1ji6A 263 :WVKFNRFRREMTL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 1ji6A 428 :QYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGTIP T0532 369 :YKKAIRAHMEFIASNTPDEEV 1ji6A 493 :FFTWTHRSVDFFNTIDAEKIT T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILT 1ji6A 596 :KTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 430 :ASFM 1ji6A 632 :ESFV T0532 435 :HPYDVYYD 1ji6A 636 :SNEKIYID T0532 448 :YPVLPINP 1ji6A 644 :KIEFIPVQ Number of specific fragments extracted= 17 number of extra gaps= 1 total=2242 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_101437514.pdb -s /var/tmp/to_scwrl_101437514.seq -o /var/tmp/from_scwrl_101437514.pdb > /var/tmp/scwrl_101437514.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_101437514.pdb Number of alignments=186 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)V108 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)N109 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)A110 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)Y111 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)T457 because last residue in template chain is (1ji6A)L652 T0532 3 :RINKYISLLLATALLASC 1ji6A 65 :AVGTGISVVGQILGVVGV T0532 22 :KFDE 1ji6A 83 :PFAG T0532 26 :IN 1ji6A 88 :LT T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDE 1ji6A 97 :NTIWPSDADPWKAFMAQVEVLIDKKIEEYAKSKA T0532 69 :AWGESMEDYQYNVFG 1ji6A 154 :TPLSLRSKRSQDRIR T0532 91 :TTLINAQKMVESV 1ji6A 169 :ELFSQAESHFRNS T0532 106 :DN 1ji6A 188 :SK T0532 112 :DGLAHFIKAYKIFYMS 1ji6A 194 :FLPTYAQAANTHLLLL T0532 128 :MEMGD 1ji6A 213 :QVFGE T0532 137 :EAL 1ji6A 218 :EWG T0532 148 :PKYNTQKEVM 1ji6A 221 :YSSEDVAEFY T0532 158 :NFILSDLETAYELFSTA 1ji6A 242 :DHCVNWYNVGLNGLRGS T0532 186 :SISKWKKA 1ji6A 259 :TYDAWVKF T0532 195 :TAFQLKVLMHL 1ji6A 267 :NRFRREMTLTV T0532 226 :SGSLMESNE 1ji6A 414 :NGKVYLGVT T0532 236 :NLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1ji6A 423 :KVDFSQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQL T0532 280 :MFYYAKPAKA 1ji6A 578 :LRLFVQNSNN T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGY 1ji6A 588 :DFLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 430 :ASFM 1ji6A 632 :ESFV T0532 435 :HPYDVYYDYR 1ji6A 636 :SNEKIYIDKI T0532 451 :LPINPA 1ji6A 646 :EFIPVQ Number of specific fragments extracted= 21 number of extra gaps= 1 total=2263 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1418781389.pdb -s /var/tmp/to_scwrl_1418781389.seq -o /var/tmp/from_scwrl_1418781389.pdb > /var/tmp/scwrl_1418781389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418781389.pdb Number of alignments=187 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)V36 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)S186 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)K474 because last residue in template chain is (1ji6A)L652 T0532 37 :TSSLLATGLLLDITSSSASKSFIYDELLAKQM 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGALTSFYQSFL T0532 86 :GFGGYTTLINAQKMVESV 1ji6A 100 :WPSDADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLP 1ji6A 144 :YVNALNSWKKTP T0532 143 :LGLVR 1ji6A 156 :LSLRS T0532 154 :KEVMNFILSDLETAYELFSTA 1ji6A 161 :KRSQDRIRELFSQAESHFRNS T0532 176 :DF 1ji6A 187 :VS T0532 185 :G 1ji6A 189 :K T0532 187 :ISKWKKATTAFQLKVLMHLSKK 1ji6A 197 :TYAQAANTHLLLLKDAQVFGEE T0532 209 :ESDADLKVKERFARIVASG 1ji6A 222 :SSEDVAEFYHRQLKLTQQY T0532 258 :HAGYAMLSTMLIDKF 1ji6A 241 :TDHCVNWYNVGLNGL T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 485 :QDRRGTIPFFTWTHRSVDFFNTIDAEKIT T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGY 1ji6A 588 :DFLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 412 :LS 1ji6A 632 :ES T0532 432 :FM 1ji6A 634 :FV T0532 435 :HPYDVYYDYRR 1ji6A 636 :SNEKIYIDKIE T0532 469 :RWMYP 1ji6A 647 :FIPVQ Number of specific fragments extracted= 17 number of extra gaps= 1 total=2280 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_115263490.pdb -s /var/tmp/to_scwrl_115263490.seq -o /var/tmp/from_scwrl_115263490.pdb > /var/tmp/scwrl_115263490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_115263490.pdb Number of alignments=188 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)T34 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)T457 because last residue in template chain is (1ji6A)L652 T0532 35 :KVTSSLLATGLLLDITSSSASKSF 1ji6A 65 :AVGTGISVVGQILGVVGVPFAGAL T0532 68 :MAWGESMEDYQYNVFGRSGFG 1ji6A 89 :TSFYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELFSTA 1ji6A 163 :SQDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 1ji6A 195 :LPTYAQAANTHLLLLKDAQVFGEEWGYS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGY 1ji6A 588 :DFLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELIIGA T0532 430 :ASFM 1ji6A 632 :ESFV T0532 435 :HPYDVYYD 1ji6A 636 :SNEKIYID T0532 452 :PINPA 1ji6A 647 :FIPVQ Number of specific fragments extracted= 13 number of extra gaps= 1 total=2293 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1416492403.pdb -s /var/tmp/to_scwrl_1416492403.seq -o /var/tmp/from_scwrl_1416492403.pdb > /var/tmp/scwrl_1416492403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1416492403.pdb Number of alignments=189 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)K2 because first residue in template chain is (1ji6A)D64 Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 Warning: unaligning (T0532)W470 because last residue in template chain is (1ji6A)L652 T0532 3 :RINKYISLLLATALLAS 1ji6A 65 :AVGTGISVVGQILGVVG T0532 36 :VTSSLLATGLLLDITS 1ji6A 82 :VPFAGALTSFYQSFLN T0532 77 :YQYNVFGRSGFG 1ji6A 98 :TIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELFSTA 1ji6A 163 :SQDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :LG 1ji6A 194 :FL T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 1ji6A 196 :PTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQLKL T0532 256 :TKHAGYAMLSTMLIDKF 1ji6A 237 :TQQYTDHCVNWYNVGLN T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 1ji6A 552 :KFKVTLNSAALLQRYRVRIRYASTTNLRLFVQNSNNDFLVI T0532 393 :GHPITEEAIAAFLETPAIQLSGEKE 1ji6A 601 :DDDLTYQTFDLATTNSNMGFSGDKN T0532 462 :MNDRLPMR 1ji6A 644 :KIEFIPVQ Number of specific fragments extracted= 14 number of extra gaps= 1 total=2307 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_402581599.pdb -s /var/tmp/to_scwrl_402581599.seq -o /var/tmp/from_scwrl_402581599.pdb > /var/tmp/scwrl_402581599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_402581599.pdb Number of alignments=190 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 184 :GGSISKWKKA 1ji6A 101 :PSDADPWKAF T0532 198 :QLKVLMHLSKKESDADLKVKERFAR 1ji6A 111 :MAQVEVLIDKKIEEYAKSKALAELQ T0532 229 :LMESNEDNLQMKYADKANTVYPF 1ji6A 136 :GLQNNFEDYVNALNSWKKTPLSL T0532 252 :HNTNTKHAGYAM 1ji6A 175 :ESHFRNSMPSFA T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 1ji6A 433 :KNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQ Number of specific fragments extracted= 5 number of extra gaps= 0 total=2312 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2025272320.pdb -s /var/tmp/to_scwrl_2025272320.seq -o /var/tmp/from_scwrl_2025272320.pdb > /var/tmp/scwrl_2025272320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2025272320.pdb Number of alignments=191 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 232 :SNEDNLQMKYADKANTVYPF 1ji6A 222 :SSEDVAEFYHRQLKLTQQYT T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 243 :HCVNWYNVGLNGLRGSTYDAWVKFNRFRREMTLTVLDLIVLFPFYDIRLY T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 1ji6A 428 :QYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGT Number of specific fragments extracted= 3 number of extra gaps= 0 total=2315 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_151660602.pdb -s /var/tmp/to_scwrl_151660602.seq -o /var/tmp/from_scwrl_151660602.pdb > /var/tmp/scwrl_151660602.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151660602.pdb Number of alignments=192 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 284 :FPFYDIRLYSKGVKTELTRDIFTDPIFSL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 1ji6A 428 :QYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQDRRGTIPFFTWT T0532 374 :RAHMEFIASNTPDEEV 1ji6A 498 :HRSVDFFNTIDAEKIT Number of specific fragments extracted= 3 number of extra gaps= 0 total=2318 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_410689880.pdb -s /var/tmp/to_scwrl_410689880.seq -o /var/tmp/from_scwrl_410689880.pdb > /var/tmp/scwrl_410689880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_410689880.pdb Number of alignments=193 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGE 1ji6A 144 :YVNALNSWKKTPLSLRSKRS T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 284 :FPFYDIRLYSKGVKTELTRDIFTDPIFSL Number of specific fragments extracted= 4 number of extra gaps= 0 total=2322 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1157834264.pdb -s /var/tmp/to_scwrl_1157834264.seq -o /var/tmp/from_scwrl_1157834264.pdb > /var/tmp/scwrl_1157834264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1157834264.pdb Number of alignments=194 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGE 1ji6A 144 :YVNALNSWKKTPLSLRSKRS T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 1ji6A 195 :LPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQL T0532 228 :SLMESNEDNLQMKY 1ji6A 235 :KLTQQYTDHCVNWY T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 284 :FPFYDIRLYSKGVKTELTRDIFTDPIFSL Number of specific fragments extracted= 8 number of extra gaps= 1 total=2330 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1373799422.pdb -s /var/tmp/to_scwrl_1373799422.seq -o /var/tmp/from_scwrl_1373799422.pdb > /var/tmp/scwrl_1373799422.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1373799422.pdb Number of alignments=195 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 T0532 69 :AWGESMEDYQYNVFGRSGFG 1ji6A 90 :SFYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELFSTA 1ji6A 163 :SQDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESN 1ji6A 197 :TYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQLKLTQQYTDH T0532 237 :LQ 1ji6A 244 :CV T0532 249 :YPFHNTNTK 1ji6A 246 :NWYNVGLNG T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 284 :FPFYDIRLYSKGVKTELTRDIFTDPIFSL Number of specific fragments extracted= 10 number of extra gaps= 1 total=2340 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2055084223.pdb -s /var/tmp/to_scwrl_2055084223.seq -o /var/tmp/from_scwrl_2055084223.pdb > /var/tmp/scwrl_2055084223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055084223.pdb Number of alignments=196 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 58 :FIYDELLAKQMAWGESMEDYQYNVFGRSGFG 1ji6A 79 :VVGVPFAGALTSFYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQGE 1ji6A 144 :YVNALNSWKKTPLSLRSKRS T0532 157 :MNFILSDLETAYELFSTA 1ji6A 164 :QDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSL 1ji6A 195 :LPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQLKLTQQ T0532 233 :NEDNLQMKY 1ji6A 240 :YTDHCVNWY T0532 252 :HNTNTKHAGYAMLSTML 1ji6A 249 :NVGLNGLRGSTYDAWVK Number of specific fragments extracted= 10 number of extra gaps= 1 total=2350 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1381343451.pdb -s /var/tmp/to_scwrl_1381343451.seq -o /var/tmp/from_scwrl_1381343451.pdb > /var/tmp/scwrl_1381343451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381343451.pdb Number of alignments=197 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set T0532 159 :FILSDLETAYELFSTA 1ji6A 166 :RIRELFSQAESHFRNS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 1ji6A 428 :QYDDQKNETSTQTYDSKRNNGHVSAQDSIDQLPPETTDEPLEKAYSHQLNYAECFLMQ Number of specific fragments extracted= 2 number of extra gaps= 0 total=2352 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_273303357.pdb -s /var/tmp/to_scwrl_273303357.seq -o /var/tmp/from_scwrl_273303357.pdb > /var/tmp/scwrl_273303357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_273303357.pdb Number of alignments=198 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)V108 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)N109 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)A110 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)Y111 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 53 :SASKS 1ji6A 121 :KIEEY T0532 69 :AWGESMED 1ji6A 154 :TPLSLRSK T0532 84 :RSGFGGYTTLINAQKMVESV 1ji6A 162 :RSQDRIRELFSQAESHFRNS T0532 106 :DN 1ji6A 188 :SK T0532 112 :DGLAHFIKAYKIFYMS 1ji6A 194 :FLPTYAQAANTHLLLL T0532 128 :MEMGD 1ji6A 213 :QVFGE T0532 137 :EAL 1ji6A 218 :EWG T0532 148 :PKYNTQKEVM 1ji6A 221 :YSSEDVAEFY T0532 158 :NFILSDLETAYELFSTA 1ji6A 242 :DHCVNWYNVGLNGLRGS T0532 186 :SISKWKKA 1ji6A 259 :TYDAWVKF T0532 195 :TAFQLKVLMH 1ji6A 267 :NRFRREMTLT T0532 226 :SGSLMESNE 1ji6A 414 :NGKVYLGVT T0532 236 :NLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1ji6A 423 :KVDFSQYDDQKNETSTQTYDSKRNNGHVSAQDSIDQL T0532 286 :PAKAK 1ji6A 584 :NSNND T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVV 1ji6A 589 :FLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNEL Number of specific fragments extracted= 15 number of extra gaps= 1 total=2367 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_272660291.pdb -s /var/tmp/to_scwrl_272660291.seq -o /var/tmp/from_scwrl_272660291.pdb > /var/tmp/scwrl_272660291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_272660291.pdb Number of alignments=199 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)S186 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 T0532 38 :SSLLATGLLLDITSSSASKSFIYDELLAKQM 1ji6A 66 :VGTGISVVGQILGVVGVPFAGALTSFYQSFL T0532 86 :GFGGYTTLINAQKMVESV 1ji6A 100 :WPSDADPWKAFMAQVEVL T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLP 1ji6A 144 :YVNALNSWKKTP T0532 143 :LGLVR 1ji6A 156 :LSLRS T0532 154 :KEVMNFILSDLETAYELFSTA 1ji6A 161 :KRSQDRIRELFSQAESHFRNS T0532 176 :DF 1ji6A 187 :VS T0532 185 :G 1ji6A 189 :K T0532 187 :ISKWKKATTAFQLKVLMHLSKK 1ji6A 197 :TYAQAANTHLLLLKDAQVFGEE T0532 209 :ESDADLKVKERFARIVASG 1ji6A 222 :SSEDVAEFYHRQLKLTQQY T0532 258 :HAGYAMLSTMLIDKF 1ji6A 241 :TDHCVNWYNVGLNGL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 1ji6A 588 :DFLVIYINKTMNKDDDLTYQTFDLATTNSNMGFSGDKNELII Number of specific fragments extracted= 12 number of extra gaps= 1 total=2379 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_332841393.pdb -s /var/tmp/to_scwrl_332841393.seq -o /var/tmp/from_scwrl_332841393.pdb > /var/tmp/scwrl_332841393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_332841393.pdb Number of alignments=200 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFG 1ji6A 75 :QILGVVGVPFAGALTSFYQSFLNTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELFSTA 1ji6A 163 :SQDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :L 1ji6A 194 :F T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 1ji6A 195 :LPTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQL T0532 275 :TGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 484 :MQDRRGTIPFFTWTHRSVDFFNTIDAE Number of specific fragments extracted= 9 number of extra gaps= 1 total=2388 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_434479291.pdb -s /var/tmp/to_scwrl_434479291.seq -o /var/tmp/from_scwrl_434479291.pdb > /var/tmp/scwrl_434479291.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434479291.pdb Number of alignments=201 # 1ji6A read from all-align.a2m # found chain 1ji6A in template set Warning: unaligning (T0532)G179 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)E191 Warning: unaligning (T0532)D180 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)E191 Warning: unaligning (T0532)P181 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1ji6A)L193 Warning: unaligning (T0532)I182 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1ji6A)L193 T0532 76 :DYQYNVFGRSGFG 1ji6A 97 :NTIWPSDADPWKA T0532 92 :TLINAQKMVESV 1ji6A 110 :FMAQVEVLIDKK T0532 104 :SDDNVNAYDGLAHFIKAYK 1ji6A 123 :EEYAKSKALAELQGLQNNF T0532 123 :IFYMSMEMGDLPYEEALQG 1ji6A 144 :YVNALNSWKKTPLSLRSKR T0532 156 :VMNFILSDLETAYELFSTA 1ji6A 163 :SQDRIRELFSQAESHFRNS T0532 175 :KDFD 1ji6A 186 :AVSK T0532 183 :LG 1ji6A 194 :FL T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 1ji6A 196 :PTYAQAANTHLLLLKDAQVFGEEWGYSSEDVAEFYHRQLKL T0532 256 :TKHAGYAMLSTMLIDKF 1ji6A 237 :TQQYTDHCVNWYNVGLN T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1ji6A 284 :FPFYDIRLYSKGVKTELTRDIFTDPIFSL Number of specific fragments extracted= 10 number of extra gaps= 1 total=2398 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_498678645.pdb -s /var/tmp/to_scwrl_498678645.seq -o /var/tmp/from_scwrl_498678645.pdb > /var/tmp/scwrl_498678645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498678645.pdb Number of alignments=202 1jpnA expands to /projects/compbio/data/pdb/1jpn.pdb.gz 1jpnA:Skipped atom 3564, because occupancy 0.500 <= existing 0.500 in 1jpnA Skipped atom 3566, because occupancy 0.500 <= existing 0.500 in 1jpnA Skipped atom 3568, because occupancy 0.500 <= existing 0.500 in 1jpnA Skipped atom 3570, because occupancy 0.500 <= existing 0.500 in 1jpnA Skipped atom 3572, because occupancy 0.500 <= existing 0.500 in 1jpnA Skipped atom 3574, because occupancy 0.500 <= existing 0.500 in 1jpnA Skipped atom 3576, because occupancy 0.500 <= existing 0.500 in 1jpnA Skipped atom 3578, because occupancy 0.500 <= existing 0.500 in 1jpnA # 1jpnA read from all-align.a2m # adding 1jpnA to template set # found chain 1jpnA in template set T0532 1 :MKRINKYISLLLATALLAS 1jpnA 6 :SARLQEAIGRLRGRGRITE T0532 20 :CDKFDEINTDPDATTKVTSSLLATGLLLDITS 1jpnA 35 :RRALMDADVNLEVARDFVERVREEALGKQVLE T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1jpnA 71 :AEVILATVYEALKEALGGEARLPVLKDRNLWFLVGLQG T0532 90 :YTTLINAQKM 1jpnA 127 :RRPLLVAADT T0532 393 :GHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYY 1jpnA 137 :QRPAAREQLRLLGEKVGVPVLEVMDGESPESIRRRVEEKARLEARDLIL T0532 445 :RTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 1jpnA 186 :VDTAGRLQIDEPLMGELARLKEVLGPDEVLLVLDAMTGQEALSVARAFDEKVGVTGLVLTKL Number of specific fragments extracted= 6 number of extra gaps= 0 total=2404 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_263795468.pdb -s /var/tmp/to_scwrl_263795468.seq -o /var/tmp/from_scwrl_263795468.pdb > /var/tmp/scwrl_263795468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_263795468.pdb Number of alignments=203 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 1 :MKRINKYISLLLATALLAS 1jpnA 2 :FQQLSARLQEAIGRLRGRG T0532 23 :FDEINTDPDATTKVTSSLLATGLLLDITS 1jpnA 21 :RITEEDLKATLREIRRALMDADVNLEVAR T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGY 1jpnA 71 :AEVILATVYEALKEALGGEARLPVLKDRNLWFLVGLQGS T0532 91 :TTLI 1jpnA 113 :TTAA T0532 95 :NAQKM 1jpnA 132 :VAADT T0532 404 :FLETPAIQLSGEKEADIEKILTQRYLASF 1jpnA 137 :QRPAAREQLRLLGEKVGVPVLEVMDGESP T0532 433 :MQHPYDVYY 1jpnA 177 :RLEARDLIL T0532 445 :RTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKL 1jpnA 186 :VDTAGRLQIDEPLMGELARLKEVLGPDEVLLVLDAMTGQEALSVARAFDEKVGVTGL T0532 502 :MWILQ 1jpnA 292 :LGMGD Number of specific fragments extracted= 9 number of extra gaps= 0 total=2413 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1767750597.pdb -s /var/tmp/to_scwrl_1767750597.seq -o /var/tmp/from_scwrl_1767750597.pdb > /var/tmp/scwrl_1767750597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1767750597.pdb Number of alignments=204 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 49 :ITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 1jpnA 68 :LTPAEVILATVYEALKEALGGEARLPVLKDRNLWFLVGLQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=2414 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1636096128.pdb -s /var/tmp/to_scwrl_1636096128.seq -o /var/tmp/from_scwrl_1636096128.pdb > /var/tmp/scwrl_1636096128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636096128.pdb Number of alignments=205 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=2414 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 131 :GDLPYEEALQGELGLVRPKYNTQKEVM 1jpnA 190 :GRLQIDEPLMGELARLKEVLGPDEVLL T0532 161 :LSDLETAYELFSTAKDFD 1jpnA 217 :VLDAMTGQEALSVARAFD Number of specific fragments extracted= 2 number of extra gaps= 0 total=2416 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1419172359.pdb -s /var/tmp/to_scwrl_1419172359.seq -o /var/tmp/from_scwrl_1419172359.pdb > /var/tmp/scwrl_1419172359.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419172359.pdb Number of alignments=206 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 130 :MGDLPYEEALQGELGLVRPKYNTQKE 1jpnA 189 :AGRLQIDEPLMGELARLKEVLGPDEV T0532 159 :FILSDLETAYELFSTAKDFDGDP 1jpnA 215 :LLVLDAMTGQEALSVARAFDEKV Number of specific fragments extracted= 2 number of extra gaps= 0 total=2418 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_879485000.pdb -s /var/tmp/to_scwrl_879485000.seq -o /var/tmp/from_scwrl_879485000.pdb > /var/tmp/scwrl_879485000.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_879485000.pdb Number of alignments=207 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 1 :MKRIN 1jpnA 1 :MFQQL T0532 21 :DKFDEINT 1jpnA 6 :SARLQEAI T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFI 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVNLEVA T0532 97 :QKMVESV 1jpnA 49 :RDFVERV T0532 136 :EEALQ 1jpnA 56 :REEAL T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAY 1jpnA 61 :GKQVLESLTPAEVILATVYEALKEAL T0532 225 :ASG 1jpnA 87 :GGE T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 90 :ARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 1jpnA 127 :RRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGE T0532 317 :KAYA 1jpnA 164 :SPES T0532 373 :IRAHMEFIASNTP 1jpnA 168 :IRRRVEEKARLEA T0532 420 :IEKILTQRYLASF 1jpnA 181 :RDLILVDTAGRLQ T0532 434 :QHPY 1jpnA 194 :IDEP T0532 439 :VYYDYRRTGYPVLP 1jpnA 198 :LMGELARLKEVLGP T0532 464 :DRLPMRWMYPKS 1jpnA 275 :KPEGLEPFYPER T0532 498 :VNKLMW 1jpnA 287 :LAGRIL T0532 504 :ILQ 1jpnA 294 :MGD Number of specific fragments extracted= 17 number of extra gaps= 0 total=2435 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1464251937.pdb -s /var/tmp/to_scwrl_1464251937.seq -o /var/tmp/from_scwrl_1464251937.pdb > /var/tmp/scwrl_1464251937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1464251937.pdb Number of alignments=208 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 1 :M 1jpnA 1 :M T0532 35 :KVTSSLLATGLLLDITSSS 1jpnA 2 :FQQLSARLQEAIGRLRGRG T0532 102 :SVSDDNVNAYDGLAH 1jpnA 21 :RITEEDLKATLREIR T0532 137 :EALQGELGLVRPKYNTQKEVMNFILS 1jpnA 36 :RALMDADVNLEVARDFVERVREEALG T0532 184 :GGSISK 1jpnA 62 :KQVLES T0532 203 :MHLSKKESDA 1jpnA 68 :LTPAEVILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 90 :ARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 1jpnA 127 :RRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGE T0532 317 :KAYATEQYSGFN 1jpnA 164 :SPESIRRRVEEK T0532 343 :LGYAEQNFILAEAAVRGWISGDASAYYKK 1jpnA 176 :ARLEARDLILVDTAGRLQIDEPLMGELAR T0532 373 :IRAHMEFIASNTPDE 1jpnA 205 :LKEVLGPDEVLLVLD T0532 413 :SGEKEADIE 1jpnA 220 :AMTGQEALS T0532 429 :LASFMQHPY 1jpnA 229 :VARAFDEKV T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWM 1jpnA 238 :GVTGLVLTKLDGDARGGAALSARHVTGKPIYFA T0532 481 :LEHQNEALERQFGGVDDVNKLMWILQ 1jpnA 271 :GVSEKPEGLEPFYPERLAGRILGMGD Number of specific fragments extracted= 16 number of extra gaps= 0 total=2451 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1289797731.pdb -s /var/tmp/to_scwrl_1289797731.seq -o /var/tmp/from_scwrl_1289797731.pdb > /var/tmp/scwrl_1289797731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1289797731.pdb Number of alignments=209 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 1 :MKR 1jpnA 1 :MFQ T0532 37 :TSSLLATGLLLDIT 1jpnA 4 :QLSARLQEAIGRLR T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 137 :EALQGELGLVRPKYNTQKEVM 1jpnA 36 :RALMDADVNLEVARDFVERVR T0532 158 :NFILSDLETAYELFS 1jpnA 62 :KQVLESLTPAEVILA T0532 212 :A 1jpnA 77 :T T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 229 :LME 1jpnA 91 :RLP T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 94 :VLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 1jpnA 127 :RRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGE T0532 317 :KAYATEQYSGFNA 1jpnA 164 :SPESIRRRVEEKA T0532 344 :GYAEQNFILAEAAVRGWISGDASAYYKK 1jpnA 177 :RLEARDLILVDTAGRLQIDEPLMGELAR T0532 373 :IRAHMEFIASNTPDE 1jpnA 205 :LKEVLGPDEVLLVLD T0532 413 :SGEKEADIE 1jpnA 220 :AMTGQEALS T0532 429 :LASFMQHPY 1jpnA 229 :VARAFDEKV T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMY 1jpnA 238 :GVTGLVLTKLDGDARGGAALSARHVTGKPIYFAG T0532 476 :ESDYNLEH 1jpnA 272 :VSEKPEGL T0532 486 :EALE 1jpnA 280 :EPFY T0532 494 :GVDDVNKLMWILQ 1jpnA 284 :PERLAGRILGMGD Number of specific fragments extracted= 19 number of extra gaps= 0 total=2470 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_731442246.pdb -s /var/tmp/to_scwrl_731442246.seq -o /var/tmp/from_scwrl_731442246.pdb > /var/tmp/scwrl_731442246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_731442246.pdb Number of alignments=210 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :M 1jpnA 1 :M T0532 36 :VTSSLLATGLLLDITSS 1jpnA 3 :QQLSARLQEAIGRLRGR T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 119 :KAYK 1jpnA 36 :RALM T0532 141 :GEL 1jpnA 40 :DAD T0532 151 :NTQKEVMNFILSDLETAYE 1jpnA 43 :VNLEVARDFVERVREEALG T0532 175 :K 1jpnA 64 :V T0532 184 :GGSISK 1jpnA 65 :LESLTP T0532 194 :TTAFQLK 1jpnA 71 :AEVILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 90 :ARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 1jpnA 127 :RRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGE T0532 320 :A 1jpnA 164 :S T0532 366 :SAY 1jpnA 165 :PES T0532 373 :IRAHMEFIASNTPDEEV 1jpnA 168 :IRRRVEEKARLEARDLI T0532 405 :LETPA 1jpnA 185 :LVDTA T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDY 1jpnA 262 :VTGKPIYFAGVSEKPEGLEPFYPERLA T0532 488 :L 1jpnA 289 :G T0532 490 :RQFGGV 1jpnA 290 :RILGMG Number of specific fragments extracted= 19 number of extra gaps= 0 total=2489 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_414848800.pdb -s /var/tmp/to_scwrl_414848800.seq -o /var/tmp/from_scwrl_414848800.pdb > /var/tmp/scwrl_414848800.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_414848800.pdb Number of alignments=211 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :M 1jpnA 1 :M T0532 36 :VTSSLLATGLLLDITSS 1jpnA 3 :QQLSARLQEAIGRLRGR T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 119 :KAYK 1jpnA 36 :RALM T0532 142 :ELGL 1jpnA 40 :DADV T0532 152 :TQKEVMNFILSDLETAYELF 1jpnA 44 :NLEVARDFVERVREEALGKQ T0532 175 :K 1jpnA 64 :V T0532 184 :GGSIS 1jpnA 65 :LESLT T0532 193 :ATTAFQLK 1jpnA 70 :PAEVILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 90 :ARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKA 1jpnA 127 :RRPLLVAADTQ T0532 362 :SGDASAYYKK 1jpnA 138 :RPAAREQLRL T0532 373 :IRAHMEFIASNTPD 1jpnA 148 :LGEKVGVPVLEVMD T0532 413 :SGEKEADIEKILTQRYLASF 1jpnA 162 :GESPESIRRRVEEKARLEAR T0532 436 :PY 1jpnA 182 :DL T0532 444 :RRTGY 1jpnA 184 :ILVDT T0532 453 :INPATNRNTMNDR 1jpnA 266 :PIYFAGVSEKPEG T0532 468 :MRWMYPKSE 1jpnA 279 :LEPFYPERL T0532 488 :LERQFGGV 1jpnA 288 :AGRILGMG Number of specific fragments extracted= 20 number of extra gaps= 0 total=2509 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1979809577.pdb -s /var/tmp/to_scwrl_1979809577.seq -o /var/tmp/from_scwrl_1979809577.pdb > /var/tmp/scwrl_1979809577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1979809577.pdb Number of alignments=212 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MK 1jpnA 1 :MF T0532 36 :VTSSLLATGLLLDITSSSA 1jpnA 3 :QQLSARLQEAIGRLRGRGR T0532 103 :VSDDNVNAYDGLAH 1jpnA 22 :ITEEDLKATLREIR T0532 119 :KAYK 1jpnA 36 :RALM T0532 141 :G 1jpnA 40 :D T0532 143 :LG 1jpnA 41 :AD T0532 151 :NTQKEVMNFILSDLETAYE 1jpnA 43 :VNLEVARDFVERVREEALG T0532 173 :TAKDFD 1jpnA 62 :KQVLES T0532 184 :GGSISK 1jpnA 68 :LTPAEV T0532 192 :KATT 1jpnA 74 :ILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 228 :SL 1jpnA 91 :RL T0532 231 :E 1jpnA 93 :P T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 94 :VLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAK 1jpnA 127 :RRPLLVAADT T0532 361 :ISGDASAYYKK 1jpnA 137 :QRPAAREQLRL T0532 373 :IRAHMEFIASNTPD 1jpnA 148 :LGEKVGVPVLEVMD T0532 413 :SGEKEADIEKILTQRYLASF 1jpnA 162 :GESPESIRRRVEEKARLEAR T0532 442 :DYRRTGYPVLP 1jpnA 182 :DLILVDTAGRL T0532 453 :INPATNRNTMNDRLPMRWMYPKSESD 1jpnA 264 :GKPIYFAGVSEKPEGLEPFYPERLAG T0532 490 :RQFGGV 1jpnA 290 :RILGMG Number of specific fragments extracted= 21 number of extra gaps= 0 total=2530 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1085138490.pdb -s /var/tmp/to_scwrl_1085138490.seq -o /var/tmp/from_scwrl_1085138490.pdb > /var/tmp/scwrl_1085138490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1085138490.pdb Number of alignments=213 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLL 1jpnA 1 :MFQQLSARLQEA T0532 24 :DEINTDPDATTKVTSSLLATGLLLDITSSSASK 1jpnA 13 :IGRLRGRGRITEEDLKATLREIRRALMDADVNL T0532 94 :INAQKM 1jpnA 46 :EVARDF T0532 108 :VNAYDGLAH 1jpnA 52 :VERVREEAL T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYE 1jpnA 61 :GKQVLESLTPAEVILATVYEALKEALG T0532 170 :LFSTAKD 1jpnA 91 :RLPVLKD T0532 248 :VYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 98 :RNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKA 1jpnA 127 :RRPLLVAADTQ T0532 362 :SGDASAYYKK 1jpnA 138 :RPAAREQLRL T0532 373 :IRAHMEFIASNTPD 1jpnA 148 :LGEKVGVPVLEVMD T0532 413 :SGEKEADIEKILTQRYL 1jpnA 162 :GESPESIRRRVEEKARL T0532 435 :HPY 1jpnA 179 :EAR T0532 442 :DYRRTGYPVLP 1jpnA 182 :DLILVDTAGRL T0532 453 :INPATNRNTMNDRLPMRWMYPKSESD 1jpnA 264 :GKPIYFAGVSEKPEGLEPFYPERLAG T0532 490 :RQFGGV 1jpnA 290 :RILGMG Number of specific fragments extracted= 15 number of extra gaps= 0 total=2545 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1498279421.pdb -s /var/tmp/to_scwrl_1498279421.seq -o /var/tmp/from_scwrl_1498279421.pdb > /var/tmp/scwrl_1498279421.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1498279421.pdb Number of alignments=214 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 1 :M 1jpnA 1 :M T0532 36 :VT 1jpnA 3 :QQ T0532 92 :TLINAQKMVESV 1jpnA 5 :LSARLQEAIGRL T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 137 :EALQGELGLVRPKYNTQKEVMNFILSD 1jpnA 36 :RALMDADVNLEVARDFVERVREEALGK T0532 175 :KD 1jpnA 63 :QV T0532 184 :GGSI 1jpnA 65 :LESL T0532 192 :KATTAFQLK 1jpnA 69 :TPAEVILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 228 :SL 1jpnA 91 :RL T0532 243 :DKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 93 :PVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 1jpnA 127 :RRPLLVAADTQRPAAREQLRLLGEKVGVPVLEVMDGE T0532 317 :KAYATEQYSGFNAR 1jpnA 164 :SPESIRRRVEEKAR T0532 335 :PSGEP 1jpnA 178 :LEARD T0532 350 :FILAEAAVRGWISGDASAYYKK 1jpnA 183 :LILVDTAGRLQIDEPLMGELAR T0532 373 :IRAHMEFIASNTPDE 1jpnA 205 :LKEVLGPDEVLLVLD T0532 413 :SGEKEADIE 1jpnA 220 :AMTGQEALS T0532 429 :LASFMQHPY 1jpnA 229 :VARAFDEKV T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYN 1jpnA 238 :GVTGLVLTKLDGDARGGAALSARHVTGKPIYFAGVSEKPEGL T0532 486 :EALE 1jpnA 280 :EPFY T0532 495 :VDDVNKLMW 1jpnA 284 :PERLAGRIL T0532 504 :ILQ 1jpnA 294 :MGD Number of specific fragments extracted= 22 number of extra gaps= 0 total=2567 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1872344326.pdb -s /var/tmp/to_scwrl_1872344326.seq -o /var/tmp/from_scwrl_1872344326.pdb > /var/tmp/scwrl_1872344326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1872344326.pdb Number of alignments=215 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKR 1jpnA 1 :MFQ T0532 91 :TTLINAQKMVESV 1jpnA 4 :QLSARLQEAIGRL T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 119 :KAYKI 1jpnA 36 :RALMD T0532 131 :GDL 1jpnA 41 :ADV T0532 152 :TQ 1jpnA 44 :NL T0532 155 :EVMNFILSDLET 1jpnA 46 :EVARDFVERVRE T0532 167 :AYE 1jpnA 59 :ALG T0532 173 :TAKDFDG 1jpnA 62 :KQVLESL T0532 188 :SK 1jpnA 69 :TP T0532 194 :TTAFQLKV 1jpnA 71 :AEVILATV T0532 217 :KERFARIVASGSLMESNED 1jpnA 79 :YEALKEALGGEARLPVLKD T0532 248 :VYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 98 :RNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPA 1jpnA 127 :RRPLLVAAD T0532 360 :WISGDASAYYKK 1jpnA 136 :TQRPAAREQLRL T0532 373 :IRAHMEFIASNTPD 1jpnA 148 :LGEKVGVPVLEVMD T0532 413 :SGEKEADIEKILTQRYLASF 1jpnA 162 :GESPESIRRRVEEKARLEAR T0532 442 :DYRRTGYPVLP 1jpnA 182 :DLILVDTAGRL T0532 453 :INPAT 1jpnA 271 :GVSEK T0532 466 :LPMRWMYPKSESDY 1jpnA 276 :PEGLEPFYPERLAG T0532 490 :RQFGGV 1jpnA 290 :RILGMG Number of specific fragments extracted= 21 number of extra gaps= 0 total=2588 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1244409541.pdb -s /var/tmp/to_scwrl_1244409541.seq -o /var/tmp/from_scwrl_1244409541.pdb > /var/tmp/scwrl_1244409541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244409541.pdb Number of alignments=216 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 1 :MK 1jpnA 1 :MF T0532 90 :YTTLINAQKMVESV 1jpnA 3 :QQLSARLQEAIGRL T0532 104 :SDDNVNAYDGLAHF 1jpnA 23 :TEEDLKATLREIRR T0532 120 :AYK 1jpnA 37 :ALM T0532 128 :M 1jpnA 40 :D T0532 131 :GDL 1jpnA 41 :ADV T0532 136 :EEAL 1jpnA 44 :NLEV T0532 153 :QKEVMNFILSDLET 1jpnA 48 :ARDFVERVREEALG T0532 177 :F 1jpnA 64 :V T0532 184 :GGSISK 1jpnA 65 :LESLTP T0532 194 :TTAFQLK 1jpnA 71 :AEVILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 228 :SLM 1jpnA 91 :RLP T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 94 :VLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAK 1jpnA 127 :RRPLLVA T0532 334 :Y 1jpnA 134 :A T0532 360 :W 1jpnA 135 :D T0532 361 :ISGDASAYYKK 1jpnA 137 :QRPAAREQLRL T0532 373 :IRAHMEFIASNTPD 1jpnA 148 :LGEKVGVPVLEVMD T0532 413 :SGEKEADIEKILTQRYLASFM 1jpnA 162 :GESPESIRRRVEEKARLEARD T0532 446 :TGYPV 1jpnA 189 :AGRLQ T0532 453 :INPATNRNTM 1jpnA 271 :GVSEKPEGLE T0532 471 :MY 1jpnA 281 :PF T0532 484 :QNEALERQ 1jpnA 283 :YPERLAGR T0532 492 :FGG 1jpnA 292 :LGM T0532 505 :LQ 1jpnA 295 :GD Number of specific fragments extracted= 26 number of extra gaps= 0 total=2614 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1599716935.pdb -s /var/tmp/to_scwrl_1599716935.seq -o /var/tmp/from_scwrl_1599716935.pdb > /var/tmp/scwrl_1599716935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1599716935.pdb Number of alignments=217 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MK 1jpnA 1 :MF T0532 36 :VTSSLLATGLLLDITSS 1jpnA 3 :QQLSARLQEAIGRLRGR T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 119 :KAYK 1jpnA 36 :RALM T0532 141 :G 1jpnA 40 :D T0532 143 :LG 1jpnA 41 :AD T0532 151 :NTQKEVMNFILSDLETAYELF 1jpnA 43 :VNLEVARDFVERVREEALGKQ T0532 175 :K 1jpnA 64 :V T0532 184 :GGSISK 1jpnA 65 :LESLTP T0532 194 :TTAFQLK 1jpnA 71 :AEVILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 229 :LME 1jpnA 91 :RLP T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 94 :VLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAK 1jpnA 127 :RRPLLVAADT T0532 361 :ISGDASAYYKK 1jpnA 137 :QRPAAREQLRL T0532 373 :IRAHMEFIASNTPD 1jpnA 148 :LGEKVGVPVLEVMD T0532 413 :SGEKEADIEKILTQRYLASF 1jpnA 162 :GESPESIRRRVEEKARLEAR T0532 442 :DYRRTGYPVLP 1jpnA 182 :DLILVDTAGRL T0532 453 :INPATNRNTMND 1jpnA 264 :GKPIYFAGVSEK T0532 466 :LPMRWMYPKSESDY 1jpnA 276 :PEGLEPFYPERLAG T0532 490 :RQFGGV 1jpnA 290 :RILGMG Number of specific fragments extracted= 21 number of extra gaps= 0 total=2635 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1143642068.pdb -s /var/tmp/to_scwrl_1143642068.seq -o /var/tmp/from_scwrl_1143642068.pdb > /var/tmp/scwrl_1143642068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1143642068.pdb Number of alignments=218 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLLATA 1jpnA 1 :MFQQLSARLQEAIGR T0532 27 :NTDPDATTKVTSSLLATGLLLDITSSSAS 1jpnA 16 :LRGRGRITEEDLKATLREIRRALMDADVN T0532 93 :LINAQKMVES 1jpnA 45 :LEVARDFVER T0532 111 :YDGLAHF 1jpnA 55 :VREEALG T0532 140 :QGELGLV 1jpnA 62 :KQVLESL T0532 151 :NTQKEVMNFILSDLETAYE 1jpnA 69 :TPAEVILATVYEALKEALG T0532 170 :LFSTAKDFDG 1jpnA 91 :RLPVLKDRNL T0532 180 :DPILGGSISK 1jpnA 105 :GLQGSGKTTT T0532 198 :QLKVLMHLSKKESDA 1jpnA 115 :AAKLALYYKGKGRRP T0532 215 :KVKERFARI 1jpnA 140 :AAREQLRLL T0532 225 :ASG 1jpnA 149 :GEK T0532 228 :SLM 1jpnA 153 :GVP T0532 231 :ESNEDNL 1jpnA 163 :ESPESIR T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 179 :EARDLILVDTAGRLQIDEPLMGEL T0532 278 :IRMFYYAKPA 1jpnA 203 :ARLKEVLGPD T0532 317 :KAYATEQYS 1jpnA 213 :EVLLVLDAM T0532 361 :ISGDASAYYKK 1jpnA 222 :TGQEALSVARA T0532 373 :IRAHMEFIASN 1jpnA 233 :FDEKVGVTGLV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESD 1jpnA 264 :GKPIYFAGVSEKPEGLEPFYPERLAG T0532 490 :RQFGGV 1jpnA 290 :RILGMG Number of specific fragments extracted= 20 number of extra gaps= 0 total=2655 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1359673032.pdb -s /var/tmp/to_scwrl_1359673032.seq -o /var/tmp/from_scwrl_1359673032.pdb > /var/tmp/scwrl_1359673032.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1359673032.pdb Number of alignments=219 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 157 :MNFILSDLETAYELFSTAKDFDGD 1jpnA 2 :FQQLSARLQEAIGRLRGRGRITEE T0532 184 :GGSISK 1jpnA 26 :DLKATL T0532 192 :K 1jpnA 32 :R T0532 198 :QLKVLMHLSKKESDA 1jpnA 33 :EIRRALMDADVNLEV T0532 216 :VKERFARIVA 1jpnA 48 :ARDFVERVRE T0532 226 :SG 1jpnA 60 :LG T0532 228 :SLMESNEDNL 1jpnA 63 :QVLESLTPAE T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIRMF 1jpnA 250 :DARGG Number of specific fragments extracted= 9 number of extra gaps= 0 total=2664 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_868725692.pdb -s /var/tmp/to_scwrl_868725692.seq -o /var/tmp/from_scwrl_868725692.pdb > /var/tmp/scwrl_868725692.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868725692.pdb Number of alignments=220 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 157 :MNFILSDLETAYELFST 1jpnA 2 :FQQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEV T0532 216 :VKERFARIVASG 1jpnA 48 :ARDFVERVREEA T0532 228 :SLMESNEDNL 1jpnA 63 :QVLESLTPAE T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIR 1jpnA 250 :DAR Number of specific fragments extracted= 6 number of extra gaps= 0 total=2670 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1546223667.pdb -s /var/tmp/to_scwrl_1546223667.seq -o /var/tmp/from_scwrl_1546223667.pdb > /var/tmp/scwrl_1546223667.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546223667.pdb Number of alignments=221 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 157 :MNFILSDLETAYELFST 1jpnA 2 :FQQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADL 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEVAR T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIRMFYYAKPAKAKLN 1jpnA 250 :DARGGAALSARHVTGK Number of specific fragments extracted= 4 number of extra gaps= 0 total=2674 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1237461705.pdb -s /var/tmp/to_scwrl_1237461705.seq -o /var/tmp/from_scwrl_1237461705.pdb > /var/tmp/scwrl_1237461705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237461705.pdb Number of alignments=222 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFST 1jpnA 3 :QQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADL 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEVAR T0532 215 :KVKERFARIVASG 1jpnA 51 :FVERVREEALGKQ T0532 228 :SLME 1jpnA 67 :SLTP T0532 234 :EDNL 1jpnA 71 :AEVI T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIR 1jpnA 250 :DAR T0532 308 :PSLPFE 1jpnA 253 :GGAALS Number of specific fragments extracted= 8 number of extra gaps= 0 total=2682 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1020386295.pdb -s /var/tmp/to_scwrl_1020386295.seq -o /var/tmp/from_scwrl_1020386295.pdb > /var/tmp/scwrl_1020386295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1020386295.pdb Number of alignments=223 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFST 1jpnA 3 :QQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEV T0532 216 :VKERFARIVA 1jpnA 48 :ARDFVERVRE T0532 226 :SG 1jpnA 62 :KQ T0532 228 :SLM 1jpnA 67 :SLT T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIR 1jpnA 250 :DAR Number of specific fragments extracted= 7 number of extra gaps= 0 total=2689 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1956913547.pdb -s /var/tmp/to_scwrl_1956913547.seq -o /var/tmp/from_scwrl_1956913547.pdb > /var/tmp/scwrl_1956913547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1956913547.pdb Number of alignments=224 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFST 1jpnA 3 :QQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADL 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEVAR T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG Number of specific fragments extracted= 3 number of extra gaps= 0 total=2692 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_247812323.pdb -s /var/tmp/to_scwrl_247812323.seq -o /var/tmp/from_scwrl_247812323.pdb > /var/tmp/scwrl_247812323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247812323.pdb Number of alignments=225 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFST 1jpnA 3 :QQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEV T0532 216 :VKERFARIVA 1jpnA 48 :ARDFVERVRE T0532 228 :SLMESNEDNL 1jpnA 63 :QVLESLTPAE T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIRMF 1jpnA 250 :DARGG Number of specific fragments extracted= 6 number of extra gaps= 0 total=2698 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_246702070.pdb -s /var/tmp/to_scwrl_246702070.seq -o /var/tmp/from_scwrl_246702070.pdb > /var/tmp/scwrl_246702070.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_246702070.pdb Number of alignments=226 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 157 :MNFILSDLETAYELFSTAKDFDG 1jpnA 2 :FQQLSARLQEAIGRLRGRGRITE T0532 200 :KVLMHLSKKESDA 1jpnA 35 :RRALMDADVNLEV T0532 215 :KVKERFARIVASG 1jpnA 77 :TVYEALKEALGGE T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 90 :ARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG Number of specific fragments extracted= 4 number of extra gaps= 0 total=2702 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1864514124.pdb -s /var/tmp/to_scwrl_1864514124.seq -o /var/tmp/from_scwrl_1864514124.pdb > /var/tmp/scwrl_1864514124.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864514124.pdb Number of alignments=227 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 93 :LINAQKMVESV 1jpnA 6 :SARLQEAIGRL T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 119 :KAYKI 1jpnA 36 :RALMD T0532 131 :GDLPY 1jpnA 41 :ADVNL T0532 136 :EEALQG 1jpnA 56 :REEALG T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 1jpnA 62 :KQVLESLTPAEVILATVYEALKEALGGEARLPVLKD T0532 180 :DPILGGSISK 1jpnA 105 :GLQGSGKTTT T0532 198 :QLKVLMHLSK 1jpnA 115 :AAKLALYYKG T0532 212 :ADL 1jpnA 125 :KGR T0532 215 :KVKERFARIVA 1jpnA 140 :AAREQLRLLGE T0532 226 :SG 1jpnA 152 :VG T0532 228 :SLM 1jpnA 155 :PVL T0532 231 :ESNEDNL 1jpnA 163 :ESPESIR T0532 251 :FHNTNTKHAGYAM 1jpnA 271 :GVSEKPEGLEPFY Number of specific fragments extracted= 14 number of extra gaps= 0 total=2716 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1629155775.pdb -s /var/tmp/to_scwrl_1629155775.seq -o /var/tmp/from_scwrl_1629155775.pdb > /var/tmp/scwrl_1629155775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629155775.pdb Number of alignments=228 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 91 :TTLINAQKMVESV 1jpnA 4 :QLSARLQEAIGRL T0532 104 :SDDNVNAYDGLAHF 1jpnA 23 :TEEDLKATLREIRR T0532 120 :AYK 1jpnA 37 :ALM T0532 128 :M 1jpnA 40 :D T0532 131 :GDL 1jpnA 41 :ADV T0532 136 :EEAL 1jpnA 44 :NLEV T0532 153 :QKEVMNFILSDLET 1jpnA 48 :ARDFVERVREEALG T0532 177 :F 1jpnA 64 :V T0532 184 :GGSISK 1jpnA 65 :LESLTP T0532 194 :TTAFQLK 1jpnA 71 :AEVILAT T0532 216 :VKERFARIVASG 1jpnA 78 :VYEALKEALGGE T0532 228 :SLM 1jpnA 91 :RLP T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 94 :VLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAK 1jpnA 127 :RRPLLVA T0532 334 :Y 1jpnA 134 :A T0532 360 :W 1jpnA 135 :D T0532 361 :ISGDASAYYKK 1jpnA 137 :QRPAAREQLRL T0532 373 :IRAHMEFIASNTPD 1jpnA 148 :LGEKVGVPVLEVMD T0532 413 :SGEKEADIEKILTQRYLASF 1jpnA 162 :GESPESIRRRVEEKARLEAR Number of specific fragments extracted= 19 number of extra gaps= 0 total=2735 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_520005427.pdb -s /var/tmp/to_scwrl_520005427.seq -o /var/tmp/from_scwrl_520005427.pdb > /var/tmp/scwrl_520005427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520005427.pdb Number of alignments=229 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFST 1jpnA 3 :QQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADL 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEVAR T0532 215 :KVKERFARIVASG 1jpnA 77 :TVYEALKEALGGE T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 90 :ARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIRM 1jpnA 250 :DARG Number of specific fragments extracted= 5 number of extra gaps= 0 total=2740 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2137174415.pdb -s /var/tmp/to_scwrl_2137174415.seq -o /var/tmp/from_scwrl_2137174415.pdb > /var/tmp/scwrl_2137174415.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2137174415.pdb Number of alignments=230 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFST 1jpnA 3 :QQLSARLQEAIGRLRG T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 1jpnA 19 :RGRITEEDLKATLREIRRALMDADVNLEV T0532 216 :VKERFARIVA 1jpnA 48 :ARDFVERVRE T0532 228 :SLMESNEDNL 1jpnA 63 :QVLESLTPAE T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 88 :GEARLPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 277 :DIRMFY 1jpnA 250 :DARGGA Number of specific fragments extracted= 6 number of extra gaps= 0 total=2746 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1961997168.pdb -s /var/tmp/to_scwrl_1961997168.seq -o /var/tmp/from_scwrl_1961997168.pdb > /var/tmp/scwrl_1961997168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961997168.pdb Number of alignments=231 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :M 1jpnA 1 :M T0532 157 :MNFILSDLETAYELFSTAKDFD 1jpnA 2 :FQQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKKA 1jpnA 24 :EEDLKATLRE T0532 199 :LKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKY 1jpnA 34 :IRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILA T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 92 :LPVLKDRNLWFLVGLQGSGKTTTAAKLALYY T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 1jpnA 178 :LEARDLILVDTAGRLQIDEPLMGELARLK T0532 371 :KAIRAHMEFIASNTPDEE 1jpnA 228 :SVARAFDEKVGVTGLVLT T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 1jpnA 268 :YFAGVSEKPEGLEPFYPERLAGRIL T0532 493 :GGV 1jpnA 293 :GMG Number of specific fragments extracted= 9 number of extra gaps= 0 total=2755 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_954484719.pdb -s /var/tmp/to_scwrl_954484719.seq -o /var/tmp/from_scwrl_954484719.pdb > /var/tmp/scwrl_954484719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_954484719.pdb Number of alignments=232 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)V156 because first residue in template chain is (1jpnA)M1 Warning: unaligning (T0532)S382 because last residue in template chain is (1jpnA)D296 T0532 157 :MNFILSDLETAYELFSTAKDFD 1jpnA 2 :FQQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKK 1jpnA 24 :EEDLKATLR T0532 198 :QLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 1jpnA 33 :EIRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILATVYEALKEAL T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 1jpnA 100 :LWFLVGLQGSGKTTTAAKLALYYKGKGRRPLLVAADTQRPAAREQLRLLG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 1jpnA 229 :VARAFDEKVGVTGLVLTKLDGDARGGAALSARHVTGKPIYFAGVSE T0532 361 :ISGDASAYYKKAIRAHMEFIA 1jpnA 275 :KPEGLEPFYPERLAGRILGMG Number of specific fragments extracted= 6 number of extra gaps= 0 total=2761 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_488369413.pdb -s /var/tmp/to_scwrl_488369413.seq -o /var/tmp/from_scwrl_488369413.pdb > /var/tmp/scwrl_488369413.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_488369413.pdb Number of alignments=233 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKY 1jpnA 1 :MFQQLSA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1jpnA 14 :GRLRGRGRITEEDLKATLREIRRALMDADVNLEVA T0532 137 :EALQG 1jpnA 57 :EEALG T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFS 1jpnA 62 :KQVLESLTPAEVILATVYEALKEALGGEA T0532 197 :FQLKVLMHLSKKESD 1jpnA 95 :LKDRNLWFLVGLQGS T0532 228 :SLMESNEDNLQMKYADKA 1jpnA 110 :GKTTTAAKLALYYKGKGR T0532 276 :GDIRMFYYAKPAKAK 1jpnA 178 :LEARDLILVDTAGRL T0532 333 :DYPSGEPVVRLGYAEQN 1jpnA 193 :QIDEPLMGELARLKEVL T0532 354 :EAAVRGWIS 1jpnA 213 :EVLLVLDAM T0532 363 :GDAS 1jpnA 224 :QEAL T0532 371 :KAIRAHMEFIASNTPDEEV 1jpnA 228 :SVARAFDEKVGVTGLVLTK T0532 390 :YHH 1jpnA 249 :GDA T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRW 1jpnA 252 :RGGAALSARHVTGKPIYFAGVSEKPEGLEPFYPERL T0532 488 :LERQFGGV 1jpnA 288 :AGRILGMG Number of specific fragments extracted= 14 number of extra gaps= 0 total=2775 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_78308990.pdb -s /var/tmp/to_scwrl_78308990.seq -o /var/tmp/from_scwrl_78308990.pdb > /var/tmp/scwrl_78308990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78308990.pdb Number of alignments=234 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLLATAL 1jpnA 1 :MFQQLSARLQEAIGRL T0532 29 :DPDATTKVTSSLLATGLLLDITSSSAS 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVN T0532 93 :LINAQKMVESV 1jpnA 45 :LEVARDFVERV T0532 104 :SDDN 1jpnA 57 :EEAL T0532 109 :NA 1jpnA 61 :GK T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 1jpnA 63 :QVLESLTPAEVILATVYEALKEALGGEA T0532 178 :DG 1jpnA 105 :GL T0532 184 :GGSISKWK 1jpnA 107 :QGSGKTTT T0532 198 :QLKVLMHLSKKESDA 1jpnA 115 :AAKLALYYKGKGRRP T0532 213 :DLKVKERFARIVASGSLMESNED 1jpnA 140 :AAREQLRLLGEKVGVPVLEVMDG T0532 359 :GWIS 1jpnA 218 :LDAM T0532 363 :GDA 1jpnA 224 :QEA T0532 370 :KKAIRAHMEFIASNTPDEEVYH 1jpnA 227 :LSVARAFDEKVGVTGLVLTKLD T0532 414 :GEK 1jpnA 249 :GDA T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 1jpnA 252 :RGGAALSARHVTGKPIYFAGVSE T0532 458 :NRNTMN 1jpnA 278 :GLEPFY T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 17 number of extra gaps= 0 total=2792 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_574751669.pdb -s /var/tmp/to_scwrl_574751669.seq -o /var/tmp/from_scwrl_574751669.pdb > /var/tmp/scwrl_574751669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_574751669.pdb Number of alignments=235 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MK 1jpnA 1 :MF T0532 90 :YTTLINAQKMVESV 1jpnA 3 :QQLSARLQEAIGRL T0532 104 :SDDNVNAYDGLAHF 1jpnA 23 :TEEDLKATLREIRR T0532 138 :ALQG 1jpnA 37 :ALMD T0532 143 :LG 1jpnA 41 :AD T0532 145 :LVRPKYNTQKEVMN 1jpnA 44 :NLEVARDFVERVRE T0532 169 :ELFSTAKDF 1jpnA 58 :EALGKQVLE T0532 213 :DLKVKERFARIVASGSL 1jpnA 74 :ILATVYEALKEALGGEA T0532 238 :QM 1jpnA 91 :RL T0532 243 :DKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 93 :PVLKDRNLWFLVGLQGSGKTTTAAKLALYY T0532 359 :GWIS 1jpnA 218 :LDAM T0532 363 :GDAS 1jpnA 223 :GQEA T0532 370 :KKAIRAHMEFIASNTPDEE 1jpnA 227 :LSVARAFDEKVGVTGLVLT T0532 411 :QLSGEK 1jpnA 246 :KLDGDA T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 1jpnA 252 :RGGAALSARHVTGKPIYFAGVSE T0532 459 :R 1jpnA 278 :G T0532 462 :MNDRL 1jpnA 279 :LEPFY T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 18 number of extra gaps= 0 total=2810 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2124465541.pdb -s /var/tmp/to_scwrl_2124465541.seq -o /var/tmp/from_scwrl_2124465541.pdb > /var/tmp/scwrl_2124465541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124465541.pdb Number of alignments=236 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLLATAL 1jpnA 1 :MFQQLSARLQEAIGRL T0532 29 :DPDATTKVTSSLLATGLLLDITSSSAS 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVN T0532 93 :LINAQKMVESV 1jpnA 45 :LEVARDFVERV T0532 104 :SDDN 1jpnA 57 :EEAL T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFS 1jpnA 61 :GKQVLESLTPAEVILATVYEALKEALGGEA T0532 175 :KD 1jpnA 105 :GL T0532 184 :GGSISKWKK 1jpnA 107 :QGSGKTTTA T0532 199 :LKVLMHLSKKESDA 1jpnA 116 :AKLALYYKGKGRRP T0532 213 :DLKVKERFARIVASGSLMESNEDN 1jpnA 140 :AAREQLRLLGEKVGVPVLEVMDGE T0532 259 :AGYAMLSTMLIDKFKATGDI 1jpnA 164 :SPESIRRRVEEKARLEARDL T0532 282 :YYAKPAKAKLNE 1jpnA 184 :ILVDTAGRLQID T0532 342 :RLGYAEQN 1jpnA 202 :LARLKEVL T0532 360 :WIS 1jpnA 210 :GPD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 1jpnA 220 :AMTGQEALSVARAFDEKVGVTGLVLT T0532 411 :QLSGEK 1jpnA 246 :KLDGDA T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 1jpnA 252 :RGGAALSARHVTGKPIYFAGVSE T0532 465 :RL 1jpnA 282 :FY T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 18 number of extra gaps= 0 total=2828 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1497481349.pdb -s /var/tmp/to_scwrl_1497481349.seq -o /var/tmp/from_scwrl_1497481349.pdb > /var/tmp/scwrl_1497481349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497481349.pdb Number of alignments=237 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLLAT 1jpnA 1 :MFQQLSARLQEAIG T0532 29 :DPDATTKVTSSLLATGLLLDITSSSAS 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVN T0532 93 :LINAQKMVESV 1jpnA 45 :LEVARDFVERV T0532 104 :SDD 1jpnA 57 :EEA T0532 140 :Q 1jpnA 60 :L T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFS 1jpnA 61 :GKQVLESLTPAEVILATVYEALKEALGGEA T0532 176 :D 1jpnA 106 :L T0532 178 :DG 1jpnA 107 :QG T0532 184 :GGSISKWKKATTAFQL 1jpnA 109 :SGKTTTAAKLALYYKG T0532 208 :KESDA 1jpnA 125 :KGRRP T0532 213 :DLKVKERFARIVASGSLMESNED 1jpnA 140 :AAREQLRLLGEKVGVPVLEVMDG T0532 258 :HAGYAMLSTMLIDKFKATGD 1jpnA 163 :ESPESIRRRVEEKARLEARD T0532 281 :FYYAKPAKAKL 1jpnA 183 :LILVDTAGRLQ T0532 334 :YPSGEPVVRLGYAEQN 1jpnA 194 :IDEPLMGELARLKEVL T0532 362 :S 1jpnA 212 :D T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 1jpnA 220 :AMTGQEALSVARAFDEKVGVTGLVLTK T0532 412 :LSGE 1jpnA 247 :LDGD T0532 434 :QHPYDVYYDYRRTGYPVLPINPAT 1jpnA 251 :ARGGAALSARHVTGKPIYFAGVSE T0532 461 :TMNDRL 1jpnA 278 :GLEPFY T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 20 number of extra gaps= 0 total=2848 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1454236669.pdb -s /var/tmp/to_scwrl_1454236669.seq -o /var/tmp/from_scwrl_1454236669.pdb > /var/tmp/scwrl_1454236669.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454236669.pdb Number of alignments=238 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :M 1jpnA 1 :M T0532 90 :Y 1jpnA 2 :F T0532 91 :TTLINAQKMVESV 1jpnA 4 :QLSARLQEAIGRL T0532 104 :SDDNVNAYDGLAH 1jpnA 23 :TEEDLKATLREIR T0532 137 :EALQG 1jpnA 36 :RALMD T0532 142 :E 1jpnA 42 :D T0532 145 :LVRPKYNTQKEVMNFILS 1jpnA 44 :NLEVARDFVERVREEALG T0532 208 :KESDADLKVKERFARIVASGSLMESNEDNL 1jpnA 62 :KQVLESLTPAEVILATVYEALKEALGGEAR T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 92 :LPVLKDRNLWFLVGLQGSGKTTTAAKLALYY T0532 273 :KATGDIRMFYYAKPAKAK 1jpnA 178 :LEARDLILVDTAGRLQID T0532 336 :SGEPVVRLGYAEQN 1jpnA 196 :EPLMGELARLKEVL T0532 354 :EAAVRGWIS 1jpnA 213 :EVLLVLDAM T0532 363 :GDAS 1jpnA 224 :QEAL T0532 371 :KAIRAHMEFIASNTPDEEVYHH 1jpnA 228 :SVARAFDEKVGVTGLVLTKLDG T0532 415 :E 1jpnA 250 :D T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRW 1jpnA 251 :ARGGAALSARHVTGKPIYFAGVSEKPEGLEPFYPERL T0532 488 :LERQFGGV 1jpnA 288 :AGRILGMG Number of specific fragments extracted= 17 number of extra gaps= 0 total=2865 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1441233832.pdb -s /var/tmp/to_scwrl_1441233832.seq -o /var/tmp/from_scwrl_1441233832.pdb > /var/tmp/scwrl_1441233832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441233832.pdb Number of alignments=239 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISL 1jpnA 1 :MFQQLSARLQ T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKS 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVNLE T0532 95 :NAQKMVESV 1jpnA 47 :VARDFVERV T0532 137 :EALQG 1jpnA 57 :EEALG T0532 144 :GLVRPKYNTQKEVMNFILSDLETAY 1jpnA 62 :KQVLESLTPAEVILATVYEALKEAL T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 1jpnA 92 :LPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKG T0532 279 :RMFYYAKPAKAK 1jpnA 127 :RRPLLVAADTQR T0532 363 :G 1jpnA 139 :P T0532 368 :YYKKAIRAHMEFIASNTPDE 1jpnA 140 :AAREQLRLLGEKVGVPVLEV T0532 411 :QLSGEKEADIEKILTQRYLASFM 1jpnA 160 :MDGESPESIRRRVEEKARLEARD T0532 462 :MNDRLPMRWM 1jpnA 274 :EKPEGLEPFY T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 12 number of extra gaps= 0 total=2877 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_639795434.pdb -s /var/tmp/to_scwrl_639795434.seq -o /var/tmp/from_scwrl_639795434.pdb > /var/tmp/scwrl_639795434.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_639795434.pdb Number of alignments=240 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLLAT 1jpnA 1 :MFQQLSARLQEAIG T0532 22 :K 1jpnA 15 :R T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASK 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVNL T0532 91 :TTLINAQKMVESV 1jpnA 46 :EVARDFVERVREE T0532 145 :LVRPKYNTQKEVMNFILSDLETA 1jpnA 63 :QVLESLTPAEVILATVYEALKEA T0532 170 :LFSTA 1jpnA 86 :LGGEA T0532 175 :KDFDGDPIL 1jpnA 94 :VLKDRNLWF T0532 184 :GGSISKWKKATTAFQLK 1jpnA 109 :SGKTTTAAKLALYYKGK T0532 201 :VLMHLSKKESDA 1jpnA 130 :LLVAADTQRPAA T0532 213 :DLKVKERFARIVASGSL 1jpnA 165 :PESIRRRVEEKARLEAR T0532 235 :DNLQMKYADKANTVYPF 1jpnA 182 :DLILVDTAGRLQIDEPL T0532 262 :AMLSTMLIDKF 1jpnA 199 :MGELARLKEVL T0532 362 :S 1jpnA 223 :G T0532 366 :SAYY 1jpnA 224 :QEAL T0532 371 :KAIRAHMEFIASNT 1jpnA 228 :SVARAFDEKVGVTG T0532 409 :AIQLSGE 1jpnA 244 :LTKLDGD T0532 432 :F 1jpnA 251 :A T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 1jpnA 252 :RGGAALSARHVTGKPIYFAGVSE T0532 463 :NDRLPMRWM 1jpnA 275 :KPEGLEPFY T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 20 number of extra gaps= 0 total=2897 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_38195268.pdb -s /var/tmp/to_scwrl_38195268.seq -o /var/tmp/from_scwrl_38195268.pdb > /var/tmp/scwrl_38195268.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_38195268.pdb Number of alignments=241 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLLATA 1jpnA 1 :MFQQLSARLQEAIGR T0532 29 :DPDATTKVTSSLLATGLLLDITSSSAS 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVN T0532 93 :LINAQKMVESV 1jpnA 45 :LEVARDFVERV T0532 104 :SDDN 1jpnA 57 :EEAL T0532 141 :G 1jpnA 61 :G T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFS 1jpnA 62 :KQVLESLTPAEVILATVYEALKEALGGEA T0532 175 :K 1jpnA 105 :G T0532 177 :FDG 1jpnA 106 :LQG T0532 184 :GGSISKWKKATTAFQLK 1jpnA 109 :SGKTTTAAKLALYYKGK T0532 201 :VLMHLSKKESD 1jpnA 129 :PLLVAADTQRP T0532 213 :DLKVKERFARIVASGSLMESNED 1jpnA 140 :AAREQLRLLGEKVGVPVLEVMDG T0532 258 :HAGYAMLSTMLIDKFKATGDIRMF 1jpnA 163 :ESPESIRRRVEEKARLEARDLILV T0532 327 :FNARYTDYPSGEPVVRLGYAEQN 1jpnA 187 :DTAGRLQIDEPLMGELARLKEVL T0532 358 :RGWIS 1jpnA 217 :VLDAM T0532 363 :G 1jpnA 223 :G T0532 367 :AYYKKAIRAHMEFIASNTPDEEV 1jpnA 224 :QEALSVARAFDEKVGVTGLVLTK T0532 412 :LSGEK 1jpnA 247 :LDGDA T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 1jpnA 252 :RGGAALSARHVTGKPIYFAGVSE T0532 459 :RNTMN 1jpnA 278 :GLEPF T0532 466 :L 1jpnA 283 :Y T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 21 number of extra gaps= 0 total=2918 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1856082632.pdb -s /var/tmp/to_scwrl_1856082632.seq -o /var/tmp/from_scwrl_1856082632.pdb > /var/tmp/scwrl_1856082632.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1856082632.pdb Number of alignments=242 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D496 because last residue in template chain is (1jpnA)D296 T0532 1 :MKRINKYISLLLATAL 1jpnA 1 :MFQQLSARLQEAIGRL T0532 29 :DPDATTKVTSSLLATGLLLDITSSSAS 1jpnA 18 :GRGRITEEDLKATLREIRRALMDADVN T0532 93 :LINAQKMVESV 1jpnA 45 :LEVARDFVERV T0532 104 :SDD 1jpnA 57 :EEA T0532 108 :VN 1jpnA 60 :LG T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFS 1jpnA 62 :KQVLESLTPAEVILATVYEALKEALGGEA T0532 176 :D 1jpnA 106 :L T0532 178 :DG 1jpnA 107 :QG T0532 184 :GGSISKWKKATTAFQLK 1jpnA 109 :SGKTTTAAKLALYYKGK T0532 209 :ESD 1jpnA 126 :GRR T0532 213 :DLKVKERFARIVASGSLMESNEDN 1jpnA 140 :AAREQLRLLGEKVGVPVLEVMDGE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYY 1jpnA 164 :SPESIRRRVEEKARLEARDLILVDT T0532 329 :ARYTDYPSGEPVVRLGYAEQN 1jpnA 189 :AGRLQIDEPLMGELARLKEVL T0532 360 :WIS 1jpnA 210 :GPD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 1jpnA 220 :AMTGQEALSVARAFDEKVGVTGLVLTK T0532 412 :LSGEK 1jpnA 247 :LDGDA T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 1jpnA 252 :RGGAALSARHVTGKPIYFAGVSE T0532 461 :TMNDRL 1jpnA 278 :GLEPFY T0532 484 :QNEALERQFGGV 1jpnA 284 :PERLAGRILGMG Number of specific fragments extracted= 19 number of extra gaps= 0 total=2937 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_472121364.pdb -s /var/tmp/to_scwrl_472121364.seq -o /var/tmp/from_scwrl_472121364.pdb > /var/tmp/scwrl_472121364.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_472121364.pdb Number of alignments=243 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKKA 1jpnA 24 :EEDLKATLRE T0532 199 :LKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKY 1jpnA 34 :IRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILA T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 92 :LPVLKDRNLWFLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 4 number of extra gaps= 0 total=2941 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1123333758.pdb -s /var/tmp/to_scwrl_1123333758.seq -o /var/tmp/from_scwrl_1123333758.pdb > /var/tmp/scwrl_1123333758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1123333758.pdb Number of alignments=244 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set Warning: unaligning (T0532)D277 because last residue in template chain is (1jpnA)D296 T0532 200 :KVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 1jpnA 35 :RRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILATVYEALKEAL T0532 252 :HNTNTKHAGYAMLSTMLIDKF 1jpnA 102 :FLVGLQGSGKTTTAAKLALYY T0532 273 :KATG 1jpnA 292 :LGMG Number of specific fragments extracted= 3 number of extra gaps= 0 total=2944 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1206878406.pdb -s /var/tmp/to_scwrl_1206878406.seq -o /var/tmp/from_scwrl_1206878406.pdb > /var/tmp/scwrl_1206878406.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1206878406.pdb Number of alignments=245 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 160 :ILSDLETAYELFSTAKDFD 1jpnA 5 :LSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKK 1jpnA 24 :EEDLKATLR T0532 198 :QLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 1jpnA 33 :EIRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILATVYEALKEAL T0532 252 :HNTNTKHAGYAMLSTMLIDKF 1jpnA 102 :FLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 4 number of extra gaps= 0 total=2948 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_196982043.pdb -s /var/tmp/to_scwrl_196982043.seq -o /var/tmp/from_scwrl_196982043.pdb > /var/tmp/scwrl_196982043.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196982043.pdb Number of alignments=246 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWK 1jpnA 24 :EEDLKATL T0532 197 :FQLKVLMHLSKKESDA 1jpnA 32 :REIRRALMDADVNLEV T0532 213 :DLKVKERFARI 1jpnA 74 :ILATVYEALKE T0532 232 :SNEDNLQMKY 1jpnA 85 :ALGGEARLPV T0532 245 :ANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 95 :LKDRNLWFLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 6 number of extra gaps= 0 total=2954 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_220259654.pdb -s /var/tmp/to_scwrl_220259654.seq -o /var/tmp/from_scwrl_220259654.pdb > /var/tmp/scwrl_220259654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_220259654.pdb Number of alignments=247 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKK 1jpnA 24 :EEDLKATLR T0532 198 :QLKVLMHLSKKESDA 1jpnA 33 :EIRRALMDADVNLEV T0532 213 :DLKVKERFARIVASGSL 1jpnA 74 :ILATVYEALKEALGGEA T0532 238 :QMK 1jpnA 91 :RLP T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 94 :VLKDRNLWFLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 6 number of extra gaps= 0 total=2960 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_659111696.pdb -s /var/tmp/to_scwrl_659111696.seq -o /var/tmp/from_scwrl_659111696.pdb > /var/tmp/scwrl_659111696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659111696.pdb Number of alignments=248 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKK 1jpnA 24 :EEDLKATLR T0532 198 :QLKVLMHLSKKESDA 1jpnA 33 :EIRRALMDADVNLEV T0532 213 :DLKVKERFARIVASGSL 1jpnA 74 :ILATVYEALKEALGGEA T0532 241 :YADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 91 :RLPVLKDRNLWFLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 5 number of extra gaps= 0 total=2965 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1340624111.pdb -s /var/tmp/to_scwrl_1340624111.seq -o /var/tmp/from_scwrl_1340624111.pdb > /var/tmp/scwrl_1340624111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340624111.pdb Number of alignments=249 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKK 1jpnA 24 :EEDLKATLR T0532 198 :QLKVLMHLSKKESDA 1jpnA 33 :EIRRALMDADVNLEV T0532 213 :DLKVKERFARIVASGSL 1jpnA 74 :ILATVYEALKEALGGEA T0532 241 :YADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 91 :RLPVLKDRNLWFLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 5 number of extra gaps= 0 total=2970 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1579932686.pdb -s /var/tmp/to_scwrl_1579932686.seq -o /var/tmp/from_scwrl_1579932686.pdb > /var/tmp/scwrl_1579932686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1579932686.pdb Number of alignments=250 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKKA 1jpnA 24 :EEDLKATLRE T0532 199 :LKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 1jpnA 34 :IRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILATVYEALKEAL T0532 252 :HNTNTKHAGYAMLSTMLIDKF 1jpnA 102 :FLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 4 number of extra gaps= 0 total=2974 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1527837387.pdb -s /var/tmp/to_scwrl_1527837387.seq -o /var/tmp/from_scwrl_1527837387.pdb > /var/tmp/scwrl_1527837387.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1527837387.pdb Number of alignments=251 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKKA 1jpnA 24 :EEDLKATLRE T0532 199 :LKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKY 1jpnA 34 :IRRALMDADVNLEVARDFVERVREEALGKQVLESLTPAEVILA T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 92 :LPVLKDRNLWFLVGLQGSGKTTTAAKLALYY T0532 281 :FYYAKPAKAKLNE 1jpnA 266 :PIYFAGVSEKPEG Number of specific fragments extracted= 5 number of extra gaps= 0 total=2979 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_739364132.pdb -s /var/tmp/to_scwrl_739364132.seq -o /var/tmp/from_scwrl_739364132.pdb > /var/tmp/scwrl_739364132.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_739364132.pdb Number of alignments=252 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKKA 1jpnA 24 :EEDLKATLRE T0532 199 :LKVLMHLSKKESDADLKVKERFARIVASGSLMESNE 1jpnA 34 :IRRALMDADVNLEVARDFVERVREEALGKQVLESLT T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIR 1jpnA 92 :LPVLKDRNLWFLVGLQGSGKTTTAAKLALYYKGKGRRP T0532 360 :WI 1jpnA 135 :DT T0532 363 :GDASAYY 1jpnA 139 :PAAREQL T0532 374 :RAHMEFIASN 1jpnA 146 :RLLGEKVGVP T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 1jpnA 156 :VLEVMDGESPESIRRRVEEKARLEARD T0532 466 :LPMRWMYPKSESD 1jpnA 188 :TAGRLQIDEPLMG T0532 483 :HQNEALERQ 1jpnA 201 :ELARLKEVL T0532 494 :GVD 1jpnA 210 :GPD Number of specific fragments extracted= 11 number of extra gaps= 0 total=2990 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_669910745.pdb -s /var/tmp/to_scwrl_669910745.seq -o /var/tmp/from_scwrl_669910745.pdb > /var/tmp/scwrl_669910745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669910745.pdb Number of alignments=253 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKK 1jpnA 24 :EEDLKATLR T0532 198 :QLKVLMHLSKKESDA 1jpnA 33 :EIRRALMDADVNLEV T0532 213 :DLKVKERFARIVASGSL 1jpnA 74 :ILATVYEALKEALGGEA T0532 241 :YADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 91 :RLPVLKDRNLWFLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 5 number of extra gaps= 0 total=2995 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_400740035.pdb -s /var/tmp/to_scwrl_400740035.seq -o /var/tmp/from_scwrl_400740035.pdb > /var/tmp/scwrl_400740035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400740035.pdb Number of alignments=254 # 1jpnA read from all-align.a2m # found chain 1jpnA in template set T0532 158 :NFILSDLETAYELFSTAKDFD 1jpnA 3 :QQLSARLQEAIGRLRGRGRIT T0532 184 :GGSISKWKK 1jpnA 24 :EEDLKATLR T0532 198 :QLKVLMHLSKKESDA 1jpnA 33 :EIRRALMDADVNLEV T0532 213 :DLKVKERFARIVASGSL 1jpnA 74 :ILATVYEALKEALGGEA T0532 241 :YADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 1jpnA 91 :RLPVLKDRNLWFLVGLQGSGKTTTAAKLALYY Number of specific fragments extracted= 5 number of extra gaps= 0 total=3000 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_548794033.pdb -s /var/tmp/to_scwrl_548794033.seq -o /var/tmp/from_scwrl_548794033.pdb > /var/tmp/scwrl_548794033.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_548794033.pdb Number of alignments=255 1wm5A expands to /projects/compbio/data/pdb/1wm5.pdb.gz 1wm5A:# 1wm5A read from all-align.a2m # adding 1wm5A to template set # found chain 1wm5A in template set T0532 1 :MKRINKYISL 1wm5A 91 :IKDLKEALIQ T0532 104 :SDDNVNAYDGLAHFIK 1wm5A 101 :LRGNQLIDYKILGLQF T0532 496 :DDVNKLMWILQ 1wm5A 117 :KLFACEVLYNI Number of specific fragments extracted= 3 number of extra gaps= 0 total=3003 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_917723069.pdb -s /var/tmp/to_scwrl_917723069.seq -o /var/tmp/from_scwrl_917723069.pdb > /var/tmp/scwrl_917723069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917723069.pdb Number of alignments=256 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)R3 because first residue in template chain is (1wm5A)A-3 T0532 4 :IN 1wm5A -2 :MG T0532 7 :YISLLLATALLASCDKFDEINTDPDATTKVTSSL 1wm5A 0 :SMSLVEAISLWNEGVLAADKKDWKGALDAFSAVQ T0532 46 :LLDITSSSASKSFIYDELLAKQMAWGESMEDYQ 1wm5A 63 :SINRDKHLAVAYFQRGMLYYQTEKYDLAIKDLK T0532 104 :SDDNVNAYDGLAHFIK 1wm5A 101 :LRGNQLIDYKILGLQF T0532 471 :MYPKSESDYNLEHQNEA 1wm5A 124 :LYNIAFMYAKKEEWKKA T0532 488 :LERQFGGVDDVNKLM 1wm5A 168 :KQKLYEPVVIPVGKL T0532 505 :LQ 1wm5A 183 :FR Number of specific fragments extracted= 7 number of extra gaps= 0 total=3010 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_647442105.pdb -s /var/tmp/to_scwrl_647442105.seq -o /var/tmp/from_scwrl_647442105.pdb > /var/tmp/scwrl_647442105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_647442105.pdb Number of alignments=257 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 5 :NKYISLLLATALL 1wm5A 104 :NQLIDYKILGLQF T0532 342 :RLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFI 1wm5A 117 :KLFACEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPR Number of specific fragments extracted= 2 number of extra gaps= 0 total=3012 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_265824510.pdb -s /var/tmp/to_scwrl_265824510.seq -o /var/tmp/from_scwrl_265824510.pdb > /var/tmp/scwrl_265824510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265824510.pdb Number of alignments=258 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=3012 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 1 :MKRINKYISLLLATALLAS 1wm5A 100 :QLRGNQLIDYKILGLQFKL T0532 473 :PKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 1wm5A 119 :FACEVLYNIAFMYAKKEEWKKAEEQLALATSMKS Number of specific fragments extracted= 2 number of extra gaps= 0 total=3014 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_399395197.pdb -s /var/tmp/to_scwrl_399395197.seq -o /var/tmp/from_scwrl_399395197.pdb > /var/tmp/scwrl_399395197.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_399395197.pdb Number of alignments=259 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 1 :MKRIN 1wm5A 50 :LKNMT T0532 6 :KYISLLLATAL 1wm5A 71 :AVAYFQRGMLY T0532 475 :SESDYNLEHQNEALERQFGGVDDVNKLMWIL 1wm5A 121 :CEVLYNIAFMYAKKEEWKKAEEQLALATSMK T0532 506 :Q 1wm5A 200 :G Number of specific fragments extracted= 4 number of extra gaps= 0 total=3018 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1167447532.pdb -s /var/tmp/to_scwrl_1167447532.seq -o /var/tmp/from_scwrl_1167447532.pdb > /var/tmp/scwrl_1167447532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167447532.pdb Number of alignments=260 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 26 :INTDPDATTKVTSSLLATGLL 1wm5A 98 :LIQLRGNQLIDYKILGLQFKL T0532 466 :LPMRWMYPKSESDYNLEHQNEALE 1wm5A 119 :FACEVLYNIAFMYAKKEEWKKAEE Number of specific fragments extracted= 2 number of extra gaps= 0 total=3020 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_255515278.pdb -s /var/tmp/to_scwrl_255515278.seq -o /var/tmp/from_scwrl_255515278.pdb > /var/tmp/scwrl_255515278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_255515278.pdb Number of alignments=261 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=3020 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 189 :KWKKATTAFQLKVLMHLSKKESDAD 1wm5A 136 :EWKKAEEQLALATSMKSEPRHSKID Number of specific fragments extracted= 1 number of extra gaps= 0 total=3021 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_213908718.pdb -s /var/tmp/to_scwrl_213908718.seq -o /var/tmp/from_scwrl_213908718.pdb > /var/tmp/scwrl_213908718.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_213908718.pdb Number of alignments=262 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=3021 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)S52 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)S413 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)K416 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)Y437 because last residue in template chain is (1wm5A)T203 T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 1wm5A -2 :MGSMSLVEAISLWNEGVLAADKKDWKG T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1wm5A 40 :CFNIGCMYTILKNM T0532 105 :DDNVNAYDGLAHFIKAYKIFY 1wm5A 63 :SINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1wm5A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1wm5A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGTD 1wm5A 170 :KLYEPVV T0532 319 :YATEQYSGFNAR 1wm5A 177 :IPVGKLFRPNER T0532 383 :NTPD 1wm5A 189 :QVAQ T0532 417 :EAD 1wm5A 197 :DYL T0532 434 :QHP 1wm5A 200 :GKA Number of specific fragments extracted= 14 number of extra gaps= 0 total=3035 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2121932251.pdb -s /var/tmp/to_scwrl_2121932251.seq -o /var/tmp/from_scwrl_2121932251.pdb > /var/tmp/scwrl_2121932251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2121932251.pdb Number of alignments=263 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)S52 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)H376 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)F379 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)E415 because last residue in template chain is (1wm5A)T203 T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 1wm5A -2 :MGSMSLVEAISLWNEGVLAADKKDWKG T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1wm5A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1wm5A 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 83 :QTEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 216 :VKERFARI 1wm5A 137 :WKKAEEQL T0532 228 :SLMES 1wm5A 145 :ALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1wm5A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIG 1wm5A 170 :KLYEP T0532 317 :KAYATEQYSGFNARY 1wm5A 175 :VVIPVGKLFRPNERQ T0532 373 :IRA 1wm5A 190 :VAQ T0532 380 :IASN 1wm5A 197 :DYLG T0532 413 :SG 1wm5A 201 :KA Number of specific fragments extracted= 15 number of extra gaps= 0 total=3050 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_743884691.pdb -s /var/tmp/to_scwrl_743884691.seq -o /var/tmp/from_scwrl_743884691.pdb > /var/tmp/scwrl_743884691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743884691.pdb Number of alignments=264 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F432 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)L466 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 1 :M 1wm5A -2 :M T0532 13 :ATALLA 1wm5A -1 :GSMSLV T0532 24 :DEIN 1wm5A 5 :EAIS T0532 29 :DPDATTKVTS 1wm5A 13 :GVLAADKKDW T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1wm5A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 216 :VKERFARIV 1wm5A 137 :WKKAEEQLA T0532 229 :LMES 1wm5A 146 :LATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1wm5A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIG 1wm5A 170 :KLYEP T0532 317 :KAYATEQYSGF 1wm5A 175 :VVIPVGKLFRP T0532 425 :TQRYLAS 1wm5A 186 :NERQVAQ T0532 467 :PMR 1wm5A 197 :DYL T0532 488 :L 1wm5A 200 :G T0532 490 :R 1wm5A 201 :K T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 20 number of extra gaps= 0 total=3070 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_292217708.pdb -s /var/tmp/to_scwrl_292217708.seq -o /var/tmp/from_scwrl_292217708.pdb > /var/tmp/scwrl_292217708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292217708.pdb Number of alignments=265 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F379 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)S382 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)Y437 because last residue in template chain is (1wm5A)T203 T0532 1 :MK 1wm5A -2 :MG T0532 33 :TTKVTSSLLATGLLLDIT 1wm5A 1 :MSLVEAISLWNEGVLAAD T0532 76 :DYQ 1wm5A 21 :DWK T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVN 1wm5A 40 :CFNIGCMYTILKNMTEAEKA T0532 110 :AYDGLAHFIKAYKIFY 1wm5A 68 :KHLAVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1wm5A 137 :WKKAEEQLALATSMK T0532 276 :GDIRMFYYAKPAKAKLNE 1wm5A 152 :SEPRHSKIDKAMECVWKQ T0532 301 :DAYIG 1wm5A 170 :KLYEP T0532 317 :KAYATEQYSGFN 1wm5A 175 :VVIPVGKLFRPN T0532 373 :IRAHME 1wm5A 187 :ERQVAQ T0532 383 :N 1wm5A 197 :D T0532 413 :SG 1wm5A 198 :YL T0532 434 :QHP 1wm5A 200 :GKA Number of specific fragments extracted= 18 number of extra gaps= 0 total=3088 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_549200273.pdb -s /var/tmp/to_scwrl_549200273.seq -o /var/tmp/from_scwrl_549200273.pdb > /var/tmp/scwrl_549200273.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_549200273.pdb Number of alignments=266 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F432 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)P436 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 1 :M 1wm5A -2 :M T0532 33 :TTKVTSSLLATGLLLDIT 1wm5A 1 :MSLVEAISLWNEGVLAAD T0532 76 :DYQ 1wm5A 21 :DWK T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVN 1wm5A 40 :CFNIGCMYTILKNMTEAEKA T0532 110 :AYDGLAHFIKAYKIFY 1wm5A 68 :KHLAVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1wm5A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1wm5A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIG 1wm5A 170 :KLYEP T0532 317 :KAYATEQYSGFN 1wm5A 175 :VVIPVGKLFRPN T0532 426 :QRYLAS 1wm5A 187 :ERQVAQ T0532 496 :DDVNK 1wm5A 197 :DYLGK T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 17 number of extra gaps= 0 total=3105 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_720866585.pdb -s /var/tmp/to_scwrl_720866585.seq -o /var/tmp/from_scwrl_720866585.pdb > /var/tmp/scwrl_720866585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_720866585.pdb Number of alignments=267 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)F379 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)S382 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 30 :PDATTKVTSSLLATGLLLDIT 1wm5A -2 :MGSMSLVEAISLWNEGVLAAD T0532 53 :SA 1wm5A 21 :DW T0532 58 :FI 1wm5A 23 :KG T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1wm5A 138 :KKAEEQLALATSMK T0532 228 :S 1wm5A 153 :E T0532 231 :ESNE 1wm5A 154 :PRHS T0532 263 :MLSTMLIDKFKA 1wm5A 158 :KIDKAMECVWKQ T0532 301 :DAYIGT 1wm5A 170 :KLYEPV T0532 318 :AYATEQYSGFN 1wm5A 176 :VIPVGKLFRPN T0532 373 :IRAHME 1wm5A 187 :ERQVAQ T0532 383 :N 1wm5A 197 :D T0532 434 :QHPY 1wm5A 198 :YLGK T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 20 number of extra gaps= 0 total=3125 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1789699057.pdb -s /var/tmp/to_scwrl_1789699057.seq -o /var/tmp/from_scwrl_1789699057.pdb > /var/tmp/scwrl_1789699057.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789699057.pdb Number of alignments=268 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)F432 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)P436 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 30 :PDATTKVTSSLLATGLLLDIT 1wm5A -2 :MGSMSLVEAISLWNEGVLAAD T0532 74 :MEDYQY 1wm5A 19 :KKDWKG T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAY 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFT T0532 112 :DGLAHFIKAYKIFY 1wm5A 70 :LAVAYFQRGMLYYQ T0532 137 :E 1wm5A 84 :T T0532 155 :EVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 85 :EKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1wm5A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1wm5A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGTD 1wm5A 170 :KLYEPVV T0532 319 :YATEQYSGFN 1wm5A 177 :IPVGKLFRPN T0532 426 :QRYLAS 1wm5A 187 :ERQVAQ T0532 496 :DDVNK 1wm5A 197 :DYLGK T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 16 number of extra gaps= 0 total=3141 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2003436942.pdb -s /var/tmp/to_scwrl_2003436942.seq -o /var/tmp/from_scwrl_2003436942.pdb > /var/tmp/scwrl_2003436942.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2003436942.pdb Number of alignments=269 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)T461 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)D464 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 30 :PDATTKVTSSLLATGLLLDI 1wm5A -2 :MGSMSLVEAISLWNEGVLAA T0532 73 :SMEDYQY 1wm5A 18 :DKKDWKG T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNV 1wm5A 40 :CFNIGCMYTILKNMTEAEK T0532 109 :NAYDGLAHFIKAYKIFY 1wm5A 67 :DKHLAVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KAT 1wm5A 119 :FAC T0532 347 :EQNFILAEAAVRGWISGDASAYYKK 1wm5A 122 :EVLYNIAFMYAKKEEWKKAEEQLAL T0532 373 :IRAHMEFIA 1wm5A 147 :ATSMKSEPR T0532 413 :SGEKEADIEKILTQRYLASF 1wm5A 156 :HSKIDKAMECVWKQKLYEPV T0532 434 :QHPY 1wm5A 176 :VIPV T0532 447 :GYPVL 1wm5A 180 :GKLFR T0532 453 :INPATNRN 1wm5A 185 :PNERQVAQ T0532 465 :R 1wm5A 197 :D T0532 497 :DVNK 1wm5A 198 :YLGK T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 18 number of extra gaps= 0 total=3159 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_14616770.pdb -s /var/tmp/to_scwrl_14616770.seq -o /var/tmp/from_scwrl_14616770.pdb > /var/tmp/scwrl_14616770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14616770.pdb Number of alignments=270 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)F432 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)P436 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 30 :PDATTKVTSSLLATGLLLDIT 1wm5A -2 :MGSMSLVEAISLWNEGVLAAD T0532 81 :VFGRSGFGG 1wm5A 30 :SAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 143 :LGL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKE 1wm5A 119 :FACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1wm5A 137 :WKKAEEQLALATSMK T0532 230 :MESNED 1wm5A 153 :EPRHSK T0532 265 :STMLIDKFKAT 1wm5A 159 :IDKAMECVWKQ T0532 301 :DAYIGTDPS 1wm5A 170 :KLYEPVVIP T0532 317 :KA 1wm5A 179 :VG T0532 323 :QYS 1wm5A 181 :KLF T0532 413 :SGE 1wm5A 184 :RPN T0532 426 :QRYLAS 1wm5A 187 :ERQVAQ T0532 437 :Y 1wm5A 197 :D T0532 458 :NRNT 1wm5A 198 :YLGK T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 19 number of extra gaps= 0 total=3178 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_282010845.pdb -s /var/tmp/to_scwrl_282010845.seq -o /var/tmp/from_scwrl_282010845.pdb > /var/tmp/scwrl_282010845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_282010845.pdb Number of alignments=271 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)N480 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)E486 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 30 :PDATTKVTSSLLATGLLLDITSS 1wm5A -2 :MGSMSLVEAISLWNEGVLAADKK T0532 86 :GFG 1wm5A 21 :DWK T0532 95 :NAQKMVESV 1wm5A 24 :GALDAFSAV T0532 104 :S 1wm5A 36 :H T0532 113 :GLAHFIKAYKIFY 1wm5A 37 :SRICFNIGCMYTI T0532 143 :LG 1wm5A 50 :LK T0532 152 :TQKEV 1wm5A 52 :NMTEA T0532 161 :LSDLETAYEL 1wm5A 57 :EKAFTRSINR T0532 184 :GGSI 1wm5A 67 :DKHL T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 71 :AVAYFQRGMLYYQTEKYDL T0532 216 :VKERFARIVA 1wm5A 90 :AIKDLKEALI T0532 226 :SG 1wm5A 102 :RG T0532 301 :DAYIGTDP 1wm5A 104 :NQLIDYKI T0532 317 :KAYATEQY 1wm5A 112 :LGLQFKLF T0532 345 :YAEQNFILAEAAVRGWISGDASAYYKK 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLAL T0532 373 :IRAH 1wm5A 147 :ATSM T0532 384 :TPDEEVYH 1wm5A 151 :KSEPRHSK T0532 416 :KEADIEKIL 1wm5A 159 :IDKAMECVW T0532 429 :LASF 1wm5A 168 :KQKL T0532 434 :QHPY 1wm5A 172 :YEPV T0532 455 :PATNR 1wm5A 176 :VIPVG T0532 468 :MRWMYPKSESDY 1wm5A 181 :KLFRPNERQVAQ T0532 487 :AL 1wm5A 197 :DY T0532 492 :F 1wm5A 199 :L T0532 494 :GV 1wm5A 200 :GK T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 26 number of extra gaps= 0 total=3204 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2041632210.pdb -s /var/tmp/to_scwrl_2041632210.seq -o /var/tmp/from_scwrl_2041632210.pdb > /var/tmp/scwrl_2041632210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2041632210.pdb Number of alignments=272 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)F432 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)H435 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 30 :PDATTKVTSSLLATGLLLDIT 1wm5A -2 :MGSMSLVEAISLWNEGVLAAD T0532 74 :MEDYQY 1wm5A 19 :KKDWKG T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1wm5A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYY 1wm5A 150 :MKSEPRHSKI T0532 363 :GDASAYYKK 1wm5A 160 :DKAMECVWK T0532 376 :HMEFIASNTPD 1wm5A 169 :QKLYEPVVIPV T0532 393 :GHP 1wm5A 180 :GKL T0532 412 :LSGE 1wm5A 183 :FRPN T0532 426 :QRYLAS 1wm5A 187 :ERQVAQ T0532 436 :PY 1wm5A 197 :DY T0532 446 :TGY 1wm5A 199 :LGK T0532 505 :LQ 1wm5A 202 :AT Number of specific fragments extracted= 19 number of extra gaps= 0 total=3223 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1870699402.pdb -s /var/tmp/to_scwrl_1870699402.seq -o /var/tmp/from_scwrl_1870699402.pdb > /var/tmp/scwrl_1870699402.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1870699402.pdb Number of alignments=273 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)F379 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)S382 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 30 :PDATTKVTSSLLATGLLLDIT 1wm5A -2 :MGSMSLVEAISLWNEGVLAAD T0532 52 :SS 1wm5A 21 :DW T0532 58 :FIYDE 1wm5A 23 :KGALD T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVA 1wm5A 137 :WKKAEEQLALATS T0532 274 :ATGDIRMFYYAKPAKAKLNE 1wm5A 150 :MKSEPRHSKIDKAMECVWKQ T0532 301 :DAYIGT 1wm5A 170 :KLYEPV T0532 318 :AYATEQYSGFN 1wm5A 176 :VIPVGKLFRPN T0532 373 :IRAHME 1wm5A 187 :ERQVAQ T0532 383 :N 1wm5A 197 :D T0532 434 :QHPY 1wm5A 198 :YLGK T0532 449 :P 1wm5A 202 :A Number of specific fragments extracted= 18 number of extra gaps= 0 total=3241 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_754132209.pdb -s /var/tmp/to_scwrl_754132209.seq -o /var/tmp/from_scwrl_754132209.pdb > /var/tmp/scwrl_754132209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754132209.pdb Number of alignments=274 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1wm5A 40 :CFNIGCMYTILKNM T0532 105 :DDNVNAYDGLAHFIKAYKIFY 1wm5A 63 :SINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1wm5A 137 :WKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1wm5A 154 :PRHSKIDKAM Number of specific fragments extracted= 8 number of extra gaps= 0 total=3249 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1017482323.pdb -s /var/tmp/to_scwrl_1017482323.seq -o /var/tmp/from_scwrl_1017482323.pdb > /var/tmp/scwrl_1017482323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017482323.pdb Number of alignments=275 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)R219 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)R222 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 60 :YDELLAKQMAWGESMEDYQY 1wm5A -2 :MGSMSLVEAISLWNEGVLAA T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1wm5A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1wm5A 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 83 :QTEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDADL 1wm5A 118 :LFACEVLYNIAFMYAKKEEWKKA T0532 215 :KVKE 1wm5A 189 :QVAQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=3257 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_930094163.pdb -s /var/tmp/to_scwrl_930094163.seq -o /var/tmp/from_scwrl_930094163.pdb > /var/tmp/scwrl_930094163.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930094163.pdb Number of alignments=276 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 72 :ESMEDYQY 1wm5A 10 :WNEGVLAA T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESV 1wm5A 40 :CFNIGCMYTILKNM T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 84 :TEKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKESDAD 1wm5A 118 :LFACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1wm5A 140 :AEEQLALATSMK T0532 231 :ESNEDN 1wm5A 157 :SKIDKA Number of specific fragments extracted= 9 number of extra gaps= 0 total=3266 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_951114253.pdb -s /var/tmp/to_scwrl_951114253.seq -o /var/tmp/from_scwrl_951114253.pdb > /var/tmp/scwrl_951114253.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_951114253.pdb Number of alignments=277 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESDA 1wm5A 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVASG 1wm5A 140 :AEEQLALATSMK T0532 228 :SLMESNEDNL 1wm5A 154 :PRHSKIDKAM T0532 256 :TKHAGYAMLSTML 1wm5A 177 :IPVGKLFRPNERQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=3276 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1237741976.pdb -s /var/tmp/to_scwrl_1237741976.seq -o /var/tmp/from_scwrl_1237741976.pdb > /var/tmp/scwrl_1237741976.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1237741976.pdb Number of alignments=278 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F272 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVN 1wm5A 40 :CFNIGCMYTILKNMTEAEKA T0532 110 :AYDGLAHFIKAYKIFY 1wm5A 68 :KHLAVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDP 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1wm5A 137 :WKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1wm5A 154 :PRHSKIDKAM T0532 248 :VYPFHNTNTKHAGYAMLSTMLIDK 1wm5A 169 :QKLYEPVVIPVGKLFRPNERQVAQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=3286 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1589205858.pdb -s /var/tmp/to_scwrl_1589205858.seq -o /var/tmp/from_scwrl_1589205858.pdb > /var/tmp/scwrl_1589205858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1589205858.pdb Number of alignments=279 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F272 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)G276 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1wm5A 138 :KKAEEQLALATSMK T0532 228 :SLMESNEDNL 1wm5A 153 :EPRHSKIDKA T0532 242 :A 1wm5A 167 :W T0532 244 :KAN 1wm5A 168 :KQK T0532 250 :PFHNTNTKHAGYAMLSTMLIDK 1wm5A 171 :LYEPVVIPVGKLFRPNERQVAQ Number of specific fragments extracted= 12 number of extra gaps= 0 total=3298 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_144254717.pdb -s /var/tmp/to_scwrl_144254717.seq -o /var/tmp/from_scwrl_144254717.pdb > /var/tmp/scwrl_144254717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_144254717.pdb Number of alignments=280 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F272 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)G276 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAY 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFT T0532 112 :DGLAHFIKAYKIFY 1wm5A 70 :LAVAYFQRGMLYYQ T0532 137 :E 1wm5A 84 :T T0532 155 :EVMNFILSDLETAYELFSTAKDFDGDP 1wm5A 85 :EKYDLAIKDLKEALIQLRGNQLIDYKI T0532 184 :GGSISK 1wm5A 112 :LGLQFK T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 118 :LFACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1wm5A 137 :WKKAEEQLALATSMK T0532 232 :SNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDK 1wm5A 153 :EPRHSKIDKAMECVWKQKLYEPVVIPVGKLFRPNERQVAQ T0532 277 :D 1wm5A 197 :D Number of specific fragments extracted= 10 number of extra gaps= 0 total=3308 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_670191016.pdb -s /var/tmp/to_scwrl_670191016.seq -o /var/tmp/from_scwrl_670191016.pdb > /var/tmp/scwrl_670191016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_670191016.pdb Number of alignments=281 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNV 1wm5A 40 :CFNIGCMYTILKNMTEAEK T0532 109 :NAYDGLAHFIKAYKIFY 1wm5A 67 :DKHLAVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKESDA 1wm5A 119 :FACEVLYNIAFMYAKKEEWKK T0532 216 :VKERFARIVA 1wm5A 140 :AEEQLALATS T0532 227 :G 1wm5A 151 :K T0532 228 :SLMESNEDNL 1wm5A 157 :SKIDKAMECV Number of specific fragments extracted= 10 number of extra gaps= 0 total=3318 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_969559599.pdb -s /var/tmp/to_scwrl_969559599.seq -o /var/tmp/from_scwrl_969559599.pdb > /var/tmp/scwrl_969559599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_969559599.pdb Number of alignments=282 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 143 :LGL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKE 1wm5A 119 :FACEVLYNIAFMYAKKEE T0532 213 :DLKVKERFARIVASG 1wm5A 137 :WKKAEEQLALATSMK T0532 228 :SLMESNEDNL 1wm5A 154 :PRHSKIDKAM T0532 242 :ADKANTVYPFHNTN 1wm5A 166 :VWKQKLYEPVVIPV T0532 259 :AGYAMLS 1wm5A 180 :GKLFRPN Number of specific fragments extracted= 11 number of extra gaps= 0 total=3329 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_883618850.pdb -s /var/tmp/to_scwrl_883618850.seq -o /var/tmp/from_scwrl_883618850.pdb > /var/tmp/scwrl_883618850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_883618850.pdb Number of alignments=283 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 31 :DATTKVTSSLLATGLLLDIT 1wm5A -1 :GSMSLVEAISLWNEGVLAAD T0532 51 :SSSASKSFIYDELL 1wm5A 34 :DPHSRICFNIGCMY T0532 69 :AWGE 1wm5A 48 :TILK T0532 89 :G 1wm5A 52 :N T0532 90 :YTTLINAQKMVESV 1wm5A 54 :TEAEKAFTRSINRD T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 143 :LG 1wm5A 84 :TE T0532 152 :TQKE 1wm5A 86 :KYDL T0532 160 :ILSDLETAYELFSTAKDFDGDPI 1wm5A 90 :AIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1wm5A 138 :KKAEEQLALATSMK T0532 229 :LMESNEDNL 1wm5A 152 :SEPRHSKID T0532 239 :MKYADKANTVYPFHNTNTK 1wm5A 162 :AMECVWKQKLYEPVVIPVG T0532 260 :GYAMLSTMLI 1wm5A 181 :KLFRPNERQV Number of specific fragments extracted= 15 number of extra gaps= 0 total=3344 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1340101760.pdb -s /var/tmp/to_scwrl_1340101760.seq -o /var/tmp/from_scwrl_1340101760.pdb > /var/tmp/scwrl_1340101760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340101760.pdb Number of alignments=284 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F272 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)G276 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1wm5A 138 :KKAEEQLALATSMK T0532 230 :MESNEDN 1wm5A 153 :EPRHSKI T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDK 1wm5A 160 :DKAMECVWKQKLYEPVVIPVGKLFRPNERQVAQ T0532 277 :D 1wm5A 197 :D Number of specific fragments extracted= 11 number of extra gaps= 0 total=3355 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1370299634.pdb -s /var/tmp/to_scwrl_1370299634.seq -o /var/tmp/from_scwrl_1370299634.pdb > /var/tmp/scwrl_1370299634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1370299634.pdb Number of alignments=285 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F272 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)G276 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 T0532 80 :NVFGRSGFGG 1wm5A 29 :FSAVQDPHSR T0532 90 :YTTLINAQKMVESVSDDNVNAYD 1wm5A 40 :CFNIGCMYTILKNMTEAEKAFTR T0532 113 :GLAHFIKAYKIFY 1wm5A 71 :AVAYFQRGMLYYQ T0532 137 :EAL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 184 :GGSISK 1wm5A 113 :GLQFKL T0532 192 :KATTAFQLKVLMHLSKKES 1wm5A 119 :FACEVLYNIAFMYAKKEEW T0532 214 :LKVKERFARIVASG 1wm5A 138 :KKAEEQLALATSMK T0532 228 :SLMESNEDNL 1wm5A 153 :EPRHSKIDKA T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDK 1wm5A 163 :MECVWKQKLYEPVVIPVGKLFRPNERQVAQ T0532 277 :D 1wm5A 197 :D Number of specific fragments extracted= 11 number of extra gaps= 0 total=3366 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1432412882.pdb -s /var/tmp/to_scwrl_1432412882.seq -o /var/tmp/from_scwrl_1432412882.pdb > /var/tmp/scwrl_1432412882.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432412882.pdb Number of alignments=286 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)I49 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)T457 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)D464 because last residue in template chain is (1wm5A)T203 T0532 50 :TSSSASKSFIYDEL 1wm5A -2 :MGSMSLVEAISLWN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 19 :KKDWKGALDAFSAVQDPHSRICFNIGCMYTILKNM T0532 106 :DNVNAYDGLAHFIKAYKIFY 1wm5A 64 :INRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDG 1wm5A 84 :TEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASG 1wm5A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALATSMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFMQHPYD 1wm5A 154 :PRHSKIDKAMECVWKQKLYEPVVIPVGK T0532 443 :YR 1wm5A 182 :LF T0532 448 :YPVLPINPA 1wm5A 184 :RPNERQVAQ T0532 458 :NRNTMN 1wm5A 197 :DYLGKA Number of specific fragments extracted= 9 number of extra gaps= 0 total=3375 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_110341182.pdb -s /var/tmp/to_scwrl_110341182.seq -o /var/tmp/from_scwrl_110341182.pdb > /var/tmp/scwrl_110341182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110341182.pdb Number of alignments=287 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)I49 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)L481 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)Q484 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)Q491 because last residue in template chain is (1wm5A)T203 T0532 50 :TSSSASKSFIYDELLAKQM 1wm5A -2 :MGSMSLVEAISLWNEGVLA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIF 1wm5A 62 :RSINRDKHLAVAYFQRGMLYY T0532 153 :QKEVMNFILSDLETAYELFSTAKDFDG 1wm5A 83 :QTEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 1wm5A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALAT T0532 229 :LMESN 1wm5A 149 :SMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFM 1wm5A 154 :PRHSKIDKAMECVWKQKLYEPVV T0532 465 :RLPMRWMYPKSESDYN 1wm5A 177 :IPVGKLFRPNERQVAQ T0532 485 :NEALER 1wm5A 197 :DYLGKA Number of specific fragments extracted= 9 number of extra gaps= 0 total=3384 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2017741739.pdb -s /var/tmp/to_scwrl_2017741739.seq -o /var/tmp/from_scwrl_2017741739.pdb > /var/tmp/scwrl_2017741739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017741739.pdb Number of alignments=288 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)I49 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)L481 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)Q484 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)Q491 because last residue in template chain is (1wm5A)T203 T0532 50 :TSSSASKSFIYDEL 1wm5A -2 :MGSMSLVEAISLWN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1wm5A 85 :EKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKE 1wm5A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQL T0532 372 :AIRAHMEFI 1wm5A 145 :ALATSMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFM 1wm5A 154 :PRHSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPI 1wm5A 177 :IPVGKL T0532 471 :MYPKSESDYN 1wm5A 183 :FRPNERQVAQ T0532 485 :NEALER 1wm5A 197 :DYLGKA Number of specific fragments extracted= 10 number of extra gaps= 0 total=3394 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1698237392.pdb -s /var/tmp/to_scwrl_1698237392.seq -o /var/tmp/from_scwrl_1698237392.pdb > /var/tmp/scwrl_1698237392.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1698237392.pdb Number of alignments=289 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)A54 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)F432 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)V495 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)M502 because last residue in template chain is (1wm5A)T203 T0532 55 :SKSFI 1wm5A -2 :MGSMS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 188 :SKW 1wm5A 114 :LQF T0532 342 :RLGYAEQNFILAEAAVRGWISGDASA 1wm5A 117 :KLFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIASNTPDEEV 1wm5A 143 :QLALATSMKSEPRHSKIDKA T0532 403 :AFLETPAIQL 1wm5A 176 :VIPVGKLFRP T0532 425 :TQRYLAS 1wm5A 186 :NERQVAQ T0532 496 :DDVNKL 1wm5A 197 :DYLGKA Number of specific fragments extracted= 11 number of extra gaps= 0 total=3405 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_509736379.pdb -s /var/tmp/to_scwrl_509736379.seq -o /var/tmp/from_scwrl_509736379.pdb > /var/tmp/scwrl_509736379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509736379.pdb Number of alignments=290 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)I49 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)V495 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)M502 because last residue in template chain is (1wm5A)T203 T0532 50 :TSSSASKSFIYDELL 1wm5A -2 :MGSMSLVEAISLWNE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGD 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYK T0532 225 :ASGSLME 1wm5A 111 :ILGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDASA 1wm5A 118 :LFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIAS 1wm5A 143 :QLALATSMKSEPR T0532 413 :SGEKEADIEKILTQR 1wm5A 156 :HSKIDKAMECVWKQK T0532 449 :PVLPINPAT 1wm5A 171 :LYEPVVIPV T0532 496 :DDVNKL 1wm5A 197 :DYLGKA Number of specific fragments extracted= 11 number of extra gaps= 0 total=3416 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1037705625.pdb -s /var/tmp/to_scwrl_1037705625.seq -o /var/tmp/from_scwrl_1037705625.pdb > /var/tmp/scwrl_1037705625.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037705625.pdb Number of alignments=291 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)V495 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)M502 because last residue in template chain is (1wm5A)T203 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDEL 1wm5A -2 :MGSMSLVEAISLWNEGVLAADKKDWKGALDAFSA T0532 75 :EDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 32 :VQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILG 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGL T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 377 :MEFIA 1wm5A 150 :MKSEP T0532 412 :LSGEKEADIEKILTQRYLASFM 1wm5A 155 :RHSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1wm5A 177 :IPVGKLFRPN T0532 496 :DDVNKL 1wm5A 197 :DYLGKA Number of specific fragments extracted= 10 number of extra gaps= 0 total=3426 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1953752670.pdb -s /var/tmp/to_scwrl_1953752670.seq -o /var/tmp/from_scwrl_1953752670.pdb > /var/tmp/scwrl_1953752670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1953752670.pdb Number of alignments=292 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)V495 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)M502 because last residue in template chain is (1wm5A)T203 T0532 30 :PDATTKVTSSLLATG 1wm5A -2 :MGSMSLVEAISLWNE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :LG 1wm5A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 187 :ISKWKKA 1wm5A 113 :GLQFKLF T0532 345 :YAEQNFILAEAAVRGWISGDASA 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIA 1wm5A 143 :QLALATSMKSEP T0532 412 :LSGEKEADIEKILTQRYLASFM 1wm5A 155 :RHSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1wm5A 177 :IPVGKLFRPN T0532 496 :DDVNKL 1wm5A 197 :DYLGKA Number of specific fragments extracted= 11 number of extra gaps= 0 total=3437 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_723645098.pdb -s /var/tmp/to_scwrl_723645098.seq -o /var/tmp/from_scwrl_723645098.pdb > /var/tmp/scwrl_723645098.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_723645098.pdb Number of alignments=293 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)A54 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)D464 because last residue in template chain is (1wm5A)T203 T0532 55 :SKSFIYDELLAKQM 1wm5A -2 :MGSMSLVEAISLWN T0532 76 :DYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 26 :LDAFSAVQDPHSRICFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFYM 1wm5A 65 :NRDKHLAVAYFQRGMLYYQT T0532 137 :EA 1wm5A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 187 :ISKWKK 1wm5A 114 :LQFKLF T0532 345 :YAEQNFILAEAAVRGWISGDASA 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEE T0532 372 :AIRAHMEFIAS 1wm5A 143 :QLALATSMKSE T0532 411 :QLSGEKEADIEKILTQRYLASFM 1wm5A 154 :PRHSKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1wm5A 177 :IPVGKLFRPN T0532 460 :NTMN 1wm5A 199 :LGKA Number of specific fragments extracted= 11 number of extra gaps= 0 total=3448 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1012154229.pdb -s /var/tmp/to_scwrl_1012154229.seq -o /var/tmp/from_scwrl_1012154229.pdb > /var/tmp/scwrl_1012154229.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012154229.pdb Number of alignments=294 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)M502 because last residue in template chain is (1wm5A)T203 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLA 1wm5A -2 :MGSMSLVEAISLWNEGVLAADKKDWKGALDAFSAVQ T0532 84 :RSGFGGYTTLINAQKMVESV 1wm5A 34 :DPHSRICFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFY 1wm5A 65 :NRDKHLAVAYFQRGMLYYQ T0532 143 :LGL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 377 :MEFIA 1wm5A 150 :MKSEP T0532 412 :LSGEKE 1wm5A 155 :RHSKID T0532 427 :RYLASFM 1wm5A 161 :KAMECVW T0532 436 :PYD 1wm5A 168 :KQK T0532 449 :PVLPINPAT 1wm5A 171 :LYEPVVIPV T0532 496 :DDVNKL 1wm5A 197 :DYLGKA Number of specific fragments extracted= 12 number of extra gaps= 0 total=3460 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_550153714.pdb -s /var/tmp/to_scwrl_550153714.seq -o /var/tmp/from_scwrl_550153714.pdb > /var/tmp/scwrl_550153714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_550153714.pdb Number of alignments=295 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)L466 because last residue in template chain is (1wm5A)T203 T0532 30 :PDATTKVTSSLLATGLLLDITSSSA 1wm5A -2 :MGSMSLVEAISLWNEGVLAADKKDW T0532 94 :INAQKMVESV 1wm5A 23 :KGALDAFSAV T0532 113 :GLAHFIKAYKIFY 1wm5A 37 :SRICFNIGCMYTI T0532 143 :LGL 1wm5A 50 :LKN T0532 153 :QKE 1wm5A 53 :MTE T0532 160 :ILSDLETAYELFSTA 1wm5A 56 :AEKAFTRSINRDKHL T0532 194 :TTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMK 1wm5A 71 :AVAYFQRGMLYYQTEKYDLAIKDLKEALIQLRGNQLIDYKILGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDAS 1wm5A 118 :LFACEVLYNIAFMYAKKEEWKKAE T0532 371 :KAIRAHMEFIASNTPDE 1wm5A 142 :EQLALATSMKSEPRHSK T0532 416 :KEADIEKIL 1wm5A 159 :IDKAMECVW T0532 436 :P 1wm5A 168 :K T0532 447 :GYPVLPINPAT 1wm5A 169 :QKLYEPVVIPV T0532 460 :NTMNDR 1wm5A 197 :DYLGKA Number of specific fragments extracted= 13 number of extra gaps= 0 total=3473 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1015862806.pdb -s /var/tmp/to_scwrl_1015862806.seq -o /var/tmp/from_scwrl_1015862806.pdb > /var/tmp/scwrl_1015862806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1015862806.pdb Number of alignments=296 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D29 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)V495 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)M502 because last residue in template chain is (1wm5A)T203 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDE 1wm5A -2 :MGSMSLVEAISLWNEGVLAADKKDWKGALDAFS T0532 74 :MEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 31 :AVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 229 :L 1wm5A 114 :L T0532 248 :V 1wm5A 115 :Q T0532 341 :VRLGYAEQNFILAEAAVRGWISGDASA 1wm5A 116 :FKLFACEVLYNIAFMYAKKEEWKKAEE T0532 370 :KKAIRAHMEFIASN 1wm5A 143 :QLALATSMKSEPRH T0532 414 :GEKEADIEKILTQRYLASFM 1wm5A 157 :SKIDKAMECVWKQKLYEPVV T0532 448 :YPVLPINPAT 1wm5A 177 :IPVGKLFRPN T0532 496 :DDVNKL 1wm5A 197 :DYLGKA Number of specific fragments extracted= 12 number of extra gaps= 0 total=3485 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1561354502.pdb -s /var/tmp/to_scwrl_1561354502.seq -o /var/tmp/from_scwrl_1561354502.pdb > /var/tmp/scwrl_1561354502.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561354502.pdb Number of alignments=297 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)D31 because first residue in template chain is (1wm5A)A-3 Warning: unaligning (T0532)F432 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 Warning: unaligning (T0532)V495 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wm5A)K196 Warning: unaligning (T0532)M502 because last residue in template chain is (1wm5A)T203 T0532 32 :ATTK 1wm5A -2 :MGSM T0532 36 :VTSSLLATGLLLDITSSSASKSFIY 1wm5A 4 :VEAISLWNEGVLAADKKDWKGALDA T0532 72 :ESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 1wm5A 29 :FSAVQDPHSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :L 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGG 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQ T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS T0532 274 :ATGDIRMFYY 1wm5A 150 :MKSEPRHSKI T0532 363 :GDASAYYKK 1wm5A 160 :DKAMECVWK T0532 390 :YHHGHP 1wm5A 175 :VVIPVG T0532 408 :PAIQL 1wm5A 181 :KLFRP T0532 425 :TQRYLAS 1wm5A 186 :NERQVAQ T0532 496 :DDVNKL 1wm5A 197 :DYLGKA Number of specific fragments extracted= 13 number of extra gaps= 0 total=3498 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1271020298.pdb -s /var/tmp/to_scwrl_1271020298.seq -o /var/tmp/from_scwrl_1271020298.pdb > /var/tmp/scwrl_1271020298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1271020298.pdb Number of alignments=298 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 107 :NVNAYDGLAHFIKAYKIFY 1wm5A 65 :NRDKHLAVAYFQRGMLYYQ T0532 154 :KEVMNFILSDLETAYELFSTAKDFDG 1wm5A 84 :TEKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYA 1wm5A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLALATSMKSEPRHSKIDKAMECVWK Number of specific fragments extracted= 3 number of extra gaps= 0 total=3501 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_658078217.pdb -s /var/tmp/to_scwrl_658078217.seq -o /var/tmp/from_scwrl_658078217.pdb > /var/tmp/scwrl_658078217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_658078217.pdb Number of alignments=299 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=3502 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1417307797.pdb -s /var/tmp/to_scwrl_1417307797.seq -o /var/tmp/from_scwrl_1417307797.pdb > /var/tmp/scwrl_1417307797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1417307797.pdb Number of alignments=300 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 84 :RSGFGGYTTLINAQKMVESV 1wm5A 41 :FNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 155 :EVMNFILSDLETAYELFSTAKDFDG 1wm5A 85 :EKYDLAIKDLKEALIQLRGNQLIDY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 1wm5A 110 :KILGLQFKLFACEVLYNIAFMYAKKEEWK Number of specific fragments extracted= 4 number of extra gaps= 0 total=3506 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1285637069.pdb -s /var/tmp/to_scwrl_1285637069.seq -o /var/tmp/from_scwrl_1285637069.pdb > /var/tmp/scwrl_1285637069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1285637069.pdb Number of alignments=301 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 88 :GGYTTLINAQKMVESV 1wm5A 45 :CMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFY 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQ T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPIL 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILG T0532 188 :SKWKK 1wm5A 114 :LQFKL T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERF 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALA Number of specific fragments extracted= 6 number of extra gaps= 0 total=3512 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_940089062.pdb -s /var/tmp/to_scwrl_940089062.seq -o /var/tmp/from_scwrl_940089062.pdb > /var/tmp/scwrl_940089062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_940089062.pdb Number of alignments=302 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 87 :FGGYTTLINAQKMVESV 1wm5A 44 :GCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDG 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDY Number of specific fragments extracted= 4 number of extra gaps= 0 total=3516 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1311456361.pdb -s /var/tmp/to_scwrl_1311456361.seq -o /var/tmp/from_scwrl_1311456361.pdb > /var/tmp/scwrl_1311456361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311456361.pdb Number of alignments=303 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 83 :GRSGFGGYTTLINAQKMVESV 1wm5A 40 :CFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILG 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGL T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 5 number of extra gaps= 0 total=3521 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1008852825.pdb -s /var/tmp/to_scwrl_1008852825.seq -o /var/tmp/from_scwrl_1008852825.pdb > /var/tmp/scwrl_1008852825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008852825.pdb Number of alignments=304 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 79 :YNVFGRSGFGGYTTLINAQKMVESV 1wm5A 36 :HSRICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :LG 1wm5A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPI 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKIL T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERF 1wm5A 113 :GLQFKLFACEVLYNIAFMYAKKEEWKKAEEQLAL Number of specific fragments extracted= 5 number of extra gaps= 0 total=3526 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1694221270.pdb -s /var/tmp/to_scwrl_1694221270.seq -o /var/tmp/from_scwrl_1694221270.pdb > /var/tmp/scwrl_1694221270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1694221270.pdb Number of alignments=305 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 108 :VNAYDGLAHFIKAYKIFYM 1wm5A 66 :RDKHLAVAYFQRGMLYYQT T0532 137 :EA 1wm5A 85 :EK T0532 157 :MNFILSDLETAYELFSTAKDFDG 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDY Number of specific fragments extracted= 3 number of extra gaps= 0 total=3529 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_181455037.pdb -s /var/tmp/to_scwrl_181455037.seq -o /var/tmp/from_scwrl_181455037.pdb > /var/tmp/scwrl_181455037.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_181455037.pdb Number of alignments=306 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 82 :FGRSGFGGYTTLINAQKMVESV 1wm5A 32 :VQDPHSRICFNIGCMYTILKNM T0532 107 :NVNAYDGLAHFIKAYKIFY 1wm5A 65 :NRDKHLAVAYFQRGMLYYQ T0532 143 :LGL 1wm5A 84 :TEK T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 5 number of extra gaps= 0 total=3534 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1938946987.pdb -s /var/tmp/to_scwrl_1938946987.seq -o /var/tmp/from_scwrl_1938946987.pdb > /var/tmp/scwrl_1938946987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1938946987.pdb Number of alignments=307 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set Warning: unaligning (T0532)F404 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wm5A)K196 T0532 31 :DATTKVTSSLLATGLLLDITSSSASK 1wm5A -1 :GSMSLVEAISLWNEGVLAADKKDWKG T0532 96 :AQKMVESV 1wm5A 25 :ALDAFSAV T0532 113 :GLAHFIKAYKIFY 1wm5A 37 :SRICFNIGCMYTI T0532 143 :LGL 1wm5A 50 :LKN T0532 153 :QKE 1wm5A 53 :MTE T0532 160 :ILSDLETAYELFSTA 1wm5A 56 :AEKAFTRSINRDKHL T0532 194 :TTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMK 1wm5A 71 :AVAYFQRGMLYYQTEKYDLAIKDLKEALIQLRGNQLIDYKILGLQFK T0532 343 :LGYAEQNFILAEAAVRGWISGDAS 1wm5A 118 :LFACEVLYNIAFMYAKKEEWKKAE T0532 371 :KAIRAHMEFIASNTPDEEV 1wm5A 142 :EQLALATSMKSEPRHSKID T0532 390 :YHHGHPITEEAIAA 1wm5A 179 :VGKLFRPNERQVAQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=3544 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_497851876.pdb -s /var/tmp/to_scwrl_497851876.seq -o /var/tmp/from_scwrl_497851876.pdb > /var/tmp/scwrl_497851876.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_497851876.pdb Number of alignments=308 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 81 :VFGRSGFGGYTTLINAQKMVESV 1wm5A 38 :RICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 144 :G 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTAKDFDGDPILGGS 1wm5A 87 :YDLAIKDLKEALIQLRGNQLIDYKILGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFA 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALAT Number of specific fragments extracted= 5 number of extra gaps= 0 total=3549 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1419197013.pdb -s /var/tmp/to_scwrl_1419197013.seq -o /var/tmp/from_scwrl_1419197013.pdb > /var/tmp/scwrl_1419197013.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1419197013.pdb Number of alignments=309 # 1wm5A read from all-align.a2m # found chain 1wm5A in template set T0532 81 :VFGRSGFGGYTTLINAQKMVESV 1wm5A 38 :RICFNIGCMYTILKNMTEAEKAF T0532 104 :SDDNVNAYDGLAHFIKAYKIFYM 1wm5A 62 :RSINRDKHLAVAYFQRGMLYYQT T0532 143 :L 1wm5A 85 :E T0532 157 :MNFILSDLETAYELFSTA 1wm5A 87 :YDLAIKDLKEALIQLRGN T0532 176 :DFDGD 1wm5A 112 :LGLQF T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFAR 1wm5A 120 :ACEVLYNIAFMYAKKEEWKKAEEQLALATS Number of specific fragments extracted= 6 number of extra gaps= 0 total=3555 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1380669198.pdb -s /var/tmp/to_scwrl_1380669198.seq -o /var/tmp/from_scwrl_1380669198.pdb > /var/tmp/scwrl_1380669198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1380669198.pdb Number of alignments=310 2fuvA expands to /projects/compbio/data/pdb/2fuv.pdb.gz 2fuvA:Skipped atom 75, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 79, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 81, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 83, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 85, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 87, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 90, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 94, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 96, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 98, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 100, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 102, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 232, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 236, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 238, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 240, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 242, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 244, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1365, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1367, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1369, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1371, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1373, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1375, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1377, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1379, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1381, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1599, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1603, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1605, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1607, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 1609, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2093, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2097, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2099, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2101, because occupancy 0.440 <= existing 0.440 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2103, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3322, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3326, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3328, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3330, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3332, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3334, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3336, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3338, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3492, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 3496, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 3498, because occupancy 0.400 <= existing 0.600 in 2fuvA Skipped atom 3501, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3505, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3507, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3509, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3511, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3513, because occupancy 0.500 <= existing 0.500 in 2fuvA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3968, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3972, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3974, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3976, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3978, because occupancy 0.500 <= existing 0.500 in 2fuvA Skipped atom 3980, because occupancy 0.500 <= existing 0.500 in 2fuvA # 2fuvA read from all-align.a2m # adding 2fuvA to template set # found chain 2fuvA in template set Warning: unaligning (T0532)I304 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)G305 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)T306 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)A353 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)E354 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 T0532 1 :MKRINKYISLLLATALLASCDK 2fuvA 53 :RHSFNEPHILAIAQAIAEERAK T0532 23 :FDEINTDPDATTKVTSSLLATGLLLDITSS 2fuvA 85 :KDTHALSEPAFISVLEVLAANGVDVIVQEN T0532 53 :SASKSFIYDELLAKQMAW 2fuvA 117 :FTPTPAVSNAILVHNKKG T0532 71 :G 2fuvA 140 :G T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDN 2fuvA 146 :SHNPPEDGGIKYNPPNGGPADTNVTKVVEDRANAL T0532 300 :WDAY 2fuvA 181 :LAGG T0532 307 :DPSLPFEQI 2fuvA 188 :VKRISLDAA T0532 316 :EKAYATEQYSGFNARYTDYP 2fuvA 203 :KAVDLVQPFVEGLADIVDMA T0532 336 :SGEPVVR 2fuvA 227 :AGLTLGV T0532 343 :LGYAEQNFIL 2fuvA 248 :AEHYKLNLTL T0532 355 :AAVRG 2fuvA 260 :DQVDQ T0532 360 :WISGDASAYYKKAIRAHME 2fuvA 276 :AIRMDCSSECAMAGLLALR T0532 379 :FIASNTP 2fuvA 331 :YLFQHRP T0532 386 :DEEVYHHGHPITEEAIAAFLETPA 2fuvA 340 :GKDVAVGKTLVSSAMIDRVVNDLG T0532 410 :IQLSGEKEADIEKILTQRYLASFMQHPYDVYYD 2fuvA 403 :TPWSTDKDGIIMCLLAAEITAVTGKNPQEHYNE T0532 443 :YRRTGYPVLPINPATNRNTMNDRLPMRWMYPKS 2fuvA 445 :YNRLQASATSAQKAALSKLSPEMVSASTLAGDP T0532 476 :ESDYNLEHQNEALERQFGGVDDVNKL 2fuvA 520 :ESFLGEEHRKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 17 number of extra gaps= 2 total=3572 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_642106594.pdb -s /var/tmp/to_scwrl_642106594.seq -o /var/tmp/from_scwrl_642106594.pdb > /var/tmp/scwrl_642106594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_642106594.pdb Number of alignments=311 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)I304 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)G305 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)T306 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 T0532 1 :MKRINKYISLLLATALLASCDKF 2fuvA 53 :RHSFNEPHILAIAQAIAEERAKN T0532 24 :DEINTDPDATTKVTSSLLATGLLLDITSS 2fuvA 86 :DTHALSEPAFISVLEVLAANGVDVIVQEN T0532 53 :SASKSFIYDELLAKQMAW 2fuvA 117 :FTPTPAVSNAILVHNKKG T0532 71 :G 2fuvA 140 :G T0532 73 :SMEDYQYNVFGRSGF 2fuvA 149 :PPEDGGIKYNPPNGG T0532 300 :WDAY 2fuvA 181 :LAGG T0532 307 :DPSLPFEQI 2fuvA 188 :VKRISLDAA T0532 316 :EKAYATEQYSGFNARY 2fuvA 208 :VQPFVEGLADIVDMAA T0532 332 :TDYPSGEPVV 2fuvA 264 :QTFRFMHLDK T0532 342 :RLGYAEQNF 2fuvA 309 :RHGIVTPAG T0532 352 :LAEAAVRGWISGDASAYYKKAIRA 2fuvA 318 :LMNPNHYLAVAINYLFQHRPLWGK T0532 376 :HMEFIASNTPDEEVYH 2fuvA 345 :VGKTLVSSAMIDRVVN T0532 392 :HGHPIT 2fuvA 362 :LGRKLV T0532 398 :EEAI 2fuvA 390 :EESA T0532 402 :AAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYD 2fuvA 395 :ASFLRFDGTPWSTDKDGIIMCLLAAEITAVTGKNPQEHYNE T0532 443 :YRRTGYPVLPINPATNRNTMNDRLPMRWMYPKS 2fuvA 445 :YNRLQASATSAQKAALSKLSPEMVSASTLAGDP T0532 476 :ESDYNLEHQNEALERQFGGVDDVNKL 2fuvA 520 :ESFLGEEHRKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 17 number of extra gaps= 1 total=3589 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2089388029.pdb -s /var/tmp/to_scwrl_2089388029.seq -o /var/tmp/from_scwrl_2089388029.pdb > /var/tmp/scwrl_2089388029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2089388029.pdb Number of alignments=312 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E417 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)A418 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)D419 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 T0532 29 :DPDATTKVTSSLLAT 2fuvA 166 :DTNVTKVVEDRANAL T0532 413 :SGEK 2fuvA 181 :LAGG T0532 420 :IEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPATNRN 2fuvA 188 :VKRISLDAAMASGHVKAVDLVQPFVEGLADIVDMAAIQKAG Number of specific fragments extracted= 3 number of extra gaps= 1 total=3592 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_202745151.pdb -s /var/tmp/to_scwrl_202745151.seq -o /var/tmp/from_scwrl_202745151.pdb > /var/tmp/scwrl_202745151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_202745151.pdb Number of alignments=313 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=3592 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)D298 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)S299 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)W300 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)L352 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)A353 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 T0532 1 :MKRINKYISLLLATALLASCDK 2fuvA 55 :SFNEPHILAIAQAIAEERAKNG T0532 23 :FDEINTDPDATTKVTSSLLATGLLLDITS 2fuvA 85 :KDTHALSEPAFISVLEVLAANGVDVIVQE T0532 52 :SSASKSFIYDELLAKQMAWGESMED 2fuvA 158 :NPPNGGPADTNVTKVVEDRANALLA T0532 296 :TA 2fuvA 183 :GG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYP 2fuvA 188 :VKRISLDAAMASGHVKAVDLVQPFVEGLADIVDMA T0532 336 :SGEPVV 2fuvA 227 :AGLTLG T0532 342 :RLGY 2fuvA 250 :HYKL T0532 348 :QNFI 2fuvA 254 :NLTL T0532 354 :EAAVRGWISGDASAYYKKAIR 2fuvA 260 :DQVDQTFRFMHLDKDGAIRMD T0532 375 :AHMEFIASNTPD 2fuvA 287 :MAGLLALRDKFD T0532 387 :EEVYHHGH 2fuvA 390 :EESAGASF T0532 395 :PITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDY 2fuvA 407 :TDKDGIIMCLLAAEITAVTGKNPQEHYNELAARFGAPSYNRLQASATSAQKAALSKLSPEMVSASTLAGDPITARLTAAPGNGAS T0532 480 :NLEHQNEALERQFGGVDDVNKLMWILQ 2fuvA 520 :ESFLGEEHRKQIEKEAVEIVSEVLKNA Number of specific fragments extracted= 13 number of extra gaps= 2 total=3605 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1525725443.pdb -s /var/tmp/to_scwrl_1525725443.seq -o /var/tmp/from_scwrl_1525725443.pdb > /var/tmp/scwrl_1525725443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525725443.pdb Number of alignments=314 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E476 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)T499 Warning: unaligning (T0532)S477 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)T499 T0532 1 :MKRINKYISLLLATALLAS 2fuvA 55 :SFNEPHILAIAQAIAEERA T0532 25 :EINTDPDATTKVTSSLLATGLLLDITS 2fuvA 87 :THALSEPAFISVLEVLAANGVDVIVQE T0532 52 :SSAS 2fuvA 120 :TPAV T0532 56 :KSFIYDELLA 2fuvA 162 :GGPADTNVTK T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 2fuvA 193 :LDAAMASGHVKAVDLVQPFVEGLADIVDMAAIQKAG T0532 259 :AGYAMLSTML 2fuvA 239 :SGIEYWKRIA T0532 270 :DKFKA 2fuvA 249 :EHYKL T0532 276 :GDIRMFYYAKPAK 2fuvA 264 :QTFRFMHLDKDGA T0532 289 :AKLNEGVTADSWDAYIGTDPS 2fuvA 286 :AMAGLLALRDKFDLAFANDPD T0532 310 :LPFEQIEKAYATEQ 2fuvA 340 :GKDVAVGKTLVSSA T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 2fuvA 359 :VNDLGRKLVEVPVGFKWFVDGLFDGSFGFGGEESAGASF T0532 363 :GDASAYYKKAIRAHMEFIASNT 2fuvA 402 :GTPWSTDKDGIIMCLLAAEITA T0532 386 :DEEVYHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYL 2fuvA 426 :GKNPQEHYNELAARFGAPSYNRLQASATSAQKAALSKLSPEMVS T0532 448 :YPVLPINPATNRNTMNDRLPMRWMYPKS 2fuvA 470 :ASTLAGDPITARLTAAPGNGASIGGLKV T0532 478 :D 2fuvA 500 :D T0532 479 :YNLEHQNEALERQFGGVDDVNKLMWILQ 2fuvA 519 :CESFLGEEHRKQIEKEAVEIVSEVLKNA Number of specific fragments extracted= 16 number of extra gaps= 1 total=3621 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1282006142.pdb -s /var/tmp/to_scwrl_1282006142.seq -o /var/tmp/from_scwrl_1282006142.pdb > /var/tmp/scwrl_1282006142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282006142.pdb Number of alignments=315 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 289 :AKLNEGVTADSWDAYIGTDP 2fuvA 286 :AMAGLLALRDKFDLAFANDP Number of specific fragments extracted= 1 number of extra gaps= 0 total=3622 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1573044785.pdb -s /var/tmp/to_scwrl_1573044785.seq -o /var/tmp/from_scwrl_1573044785.pdb > /var/tmp/scwrl_1573044785.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1573044785.pdb Number of alignments=316 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=3622 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 180 :DPILGGSISKWKKATTAFQLKV 2fuvA 234 :DPLGGSGIEYWKRIAEHYKLNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=3623 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_810654679.pdb -s /var/tmp/to_scwrl_810654679.seq -o /var/tmp/from_scwrl_810654679.pdb > /var/tmp/scwrl_810654679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_810654679.pdb Number of alignments=317 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 176 :DFDGDPILGGSISKWKKATTAFQLKVLM 2fuvA 230 :TLGVDPLGGSGIEYWKRIAEHYKLNLTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=3624 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1392347325.pdb -s /var/tmp/to_scwrl_1392347325.seq -o /var/tmp/from_scwrl_1392347325.pdb > /var/tmp/scwrl_1392347325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392347325.pdb Number of alignments=318 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)K2 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)S104 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)D105 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)D106 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)M230 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)E231 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)A487 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 30 :KPEAGNAEHAVKFGTSGHRGSAGRHSFNEPHILAIAQAIAEERAKNGITGP T0532 81 :VFGR 2fuvA 167 :TNVT T0532 90 :YTTLINAQKMVESV 2fuvA 171 :KVVEDRANALLAGG T0532 107 :N 2fuvA 188 :V T0532 138 :ALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 2fuvA 189 :KRISLDAAMASGHVKAVDLVQPFVEGLADIVDMAAIQ T0532 176 :DFDG 2fuvA 226 :KAGL T0532 180 :DPILGGSISKWKKATTAF 2fuvA 234 :DPLGGSGIEYWKRIAEHY T0532 225 :ASG 2fuvA 252 :KLN T0532 228 :SL 2fuvA 256 :TL T0532 232 :SNEDNL 2fuvA 260 :DQVDQT T0532 277 :DIRMFYYAKPAKAKLNE 2fuvA 361 :DLGRKLVEVPVGFKWFV T0532 301 :DAYIGTDPSL 2fuvA 378 :DGLFDGSFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWI 2fuvA 415 :CLLAAEITAVTGK T0532 364 :DASAYYKK 2fuvA 428 :NPQEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 469 :RWMYPKSESDYNLEHQNE 2fuvA 528 :RKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 18 number of extra gaps= 2 total=3642 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1443302877.pdb -s /var/tmp/to_scwrl_1443302877.seq -o /var/tmp/from_scwrl_1443302877.pdb > /var/tmp/scwrl_1443302877.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1443302877.pdb Number of alignments=319 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)Y135 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)A487 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLATGLLLDIT 2fuvA 10 :PAQQSDLINVAQLTAQYYVLKP T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 55 :SFNEPHILAIAQAIAEERAKNGITGPCYV T0532 80 :NVFGRSGFGGYTTLINAQKMVESV 2fuvA 110 :IVQENNGFTPTPAVSNAILVHNKK T0532 104 :SDDNVNAYDGLAHFIKA 2fuvA 166 :DTNVTKVVEDRANALLA T0532 131 :GD 2fuvA 183 :GG T0532 136 :EEAL 2fuvA 188 :VKRI T0532 141 :GELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 2fuvA 192 :SLDAAMASGHVKAVDLVQPFVEGLADIVDMAAIQKAGLT T0532 180 :DPILGGSISKWKKATTAFQLKVLM 2fuvA 234 :DPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDADL 2fuvA 260 :DQVDQTFRF T0532 215 :KVKERFARIVASG 2fuvA 284 :ECAMAGLLALRDK T0532 228 :SLM 2fuvA 298 :DLA T0532 231 :ESNEDNL 2fuvA 305 :PDYDRHG T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 319 :MNPNHYLAVAINYLFQHRPLWGKDVAVGKTLVSSA T0532 274 :ATG 2fuvA 354 :MID T0532 277 :DIRMFYYAKPAKAKLNE 2fuvA 361 :DLGRKLVEVPVGFKWFV T0532 301 :DAYIGTDPSL 2fuvA 378 :DGLFDGSFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWISGD 2fuvA 415 :CLLAAEITAVTGKNPQ T0532 367 :AYYKK 2fuvA 431 :EHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAA 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPE T0532 413 :SGEKEADIEKILTQRYLASF 2fuvA 467 :MVSASTLAGDPITARLTAAP T0532 434 :QHPY 2fuvA 487 :GNGA T0532 447 :GYPVLP 2fuvA 491 :SIGGLK T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 2fuvA 512 :EDAYKIYCESFLGEEHRKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 25 number of extra gaps= 2 total=3667 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_361408424.pdb -s /var/tmp/to_scwrl_361408424.seq -o /var/tmp/from_scwrl_361408424.pdb > /var/tmp/scwrl_361408424.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_361408424.pdb Number of alignments=320 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)I123 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)F124 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)Y125 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)A487 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLATGLLLDIT 2fuvA 10 :PAQQSDLINVAQLTAQYYVLKP T0532 51 :SSSAS 2fuvA 55 :SFNEP T0532 104 :SDDNVNAYDGLAHFIKAYK 2fuvA 166 :DTNVTKVVEDRANALLAGG T0532 126 :M 2fuvA 188 :V T0532 138 :ALQGELGLVRPKYNTQKEVMNFILSDLETAYELF 2fuvA 189 :KRISLDAAMASGHVKAVDLVQPFVEGLADIVDMA T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLM 2fuvA 226 :KAGLTLGVDPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDADL 2fuvA 260 :DQVDQTFRF T0532 215 :KVKERFARI 2fuvA 284 :ECAMAGLLA T0532 229 :LMESNEDNL 2fuvA 293 :LRDKFDLAF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 319 :MNPNHYLAVAINYLFQHRPLWGKDVAVGKTLVSSA T0532 274 :ATG 2fuvA 354 :MID T0532 277 :DIRMFYYAKPAKAKLNE 2fuvA 361 :DLGRKLVEVPVGFKWFV T0532 301 :DAYIGTDPSLPFEQI 2fuvA 378 :DGLFDGSFGFGGEES T0532 317 :KAYATEQYS 2fuvA 393 :AGASFLRFD T0532 331 :YTDYPSGEPVVRL 2fuvA 402 :GTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 458 :NRNTMNDR 2fuvA 518 :YCESFLGE T0532 467 :PMRWMYPKSESDYNLEHQNE 2fuvA 526 :EHRKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 21 number of extra gaps= 2 total=3688 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1902083704.pdb -s /var/tmp/to_scwrl_1902083704.seq -o /var/tmp/from_scwrl_1902083704.pdb > /var/tmp/scwrl_1902083704.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1902083704.pdb Number of alignments=321 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)G44 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)Q491 because last residue in template chain is (2fuvA)A546 T0532 45 :LLLDIT 2fuvA 3 :IHNRAG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 10 :PAQQSDLINVAQLTAQYYVLKPEAGNAEH T0532 80 :NVFGRSGFGG 2fuvA 49 :GSAGRHSFNE T0532 91 :TTLINAQKMVESV 2fuvA 59 :PHILAIAQAIAEE T0532 141 :GELGLVRPKYNTQKEVMNFILSDLETAYELF 2fuvA 76 :GITGPCYVGKDTHALSEPAFISVLEVLAANG T0532 172 :STAKDFDG 2fuvA 108 :DVIVQENN T0532 184 :GGSISK 2fuvA 116 :GFTPTP T0532 192 :KATTAFQLK 2fuvA 122 :AVSNAILVH T0532 211 :DADL 2fuvA 131 :NKKG T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :L 2fuvA 188 :V T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTKH 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLGGSG T0532 262 :AMLSTMLIDKF 2fuvA 241 :IEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 277 :DIRMFYYAKPAKAKLNEG 2fuvA 361 :DLGRKLVEVPVGFKWFVD T0532 301 :DAYIGTDPSLPFEQ 2fuvA 379 :GLFDGSFGFGGEES T0532 317 :KAYATEQYS 2fuvA 393 :AGASFLRFD T0532 331 :YTDYPSGEPVVRL 2fuvA 402 :GTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPDE 2fuvA 436 :LAARFGAPSYNRLQA T0532 413 :SGEKEAD 2fuvA 451 :SATSAQK T0532 422 :KILT 2fuvA 458 :AALS T0532 430 :ASF 2fuvA 462 :KLS T0532 434 :QHPY 2fuvA 465 :PEMV T0532 441 :YDYRRTGYPVLP 2fuvA 469 :SASTLAGDPITA T0532 464 :DRLPMRW 2fuvA 513 :DAYKIYC T0532 471 :MYPKSESDY 2fuvA 521 :SFLGEEHRK T0532 480 :NLE 2fuvA 532 :EKE T0532 483 :HQNEALER 2fuvA 538 :IVSEVLKN Number of specific fragments extracted= 30 number of extra gaps= 1 total=3718 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_333524856.pdb -s /var/tmp/to_scwrl_333524856.seq -o /var/tmp/from_scwrl_333524856.pdb > /var/tmp/scwrl_333524856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_333524856.pdb Number of alignments=322 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)G44 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)A487 because last residue in template chain is (2fuvA)A546 T0532 45 :LLLDIT 2fuvA 3 :IHNRAG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 10 :PAQQSDLINVAQLTAQYYVLKPEAGNAEH T0532 80 :NVFGRSGFGG 2fuvA 49 :GSAGRHSFNE T0532 92 :TLINAQKM 2fuvA 60 :HILAIAQA T0532 112 :DGLAHF 2fuvA 68 :IAEERA T0532 139 :LQGELGLVRPKYNTQKEVMNFILSDLETAYELF 2fuvA 74 :KNGITGPCYVGKDTHALSEPAFISVLEVLAANG T0532 172 :STAKDFDG 2fuvA 108 :DVIVQENN T0532 184 :GGSISK 2fuvA 116 :GFTPTP T0532 192 :KATTAFQLK 2fuvA 122 :AVSNAILVH T0532 203 :MHLSKK 2fuvA 131 :NKKGGP T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTKH 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLGGSG T0532 262 :AMLSTMLIDKF 2fuvA 241 :IEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 277 :DIRMFYYAKPAKAKLNEG 2fuvA 361 :DLGRKLVEVPVGFKWFVD T0532 301 :DAYIGTDPSLPFEQ 2fuvA 379 :GLFDGSFGFGGEES T0532 317 :KAYATEQYSGFNA 2fuvA 393 :AGASFLRFDGTPW T0532 335 :PSGEPVVR 2fuvA 406 :STDKDGII T0532 348 :QNFILAEAAVRGWISG 2fuvA 414 :MCLLAAEITAVTGKNP T0532 366 :SAYYKK 2fuvA 430 :QEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 405 :LETPAIQLSGE 2fuvA 514 :AYKIYCESFLG T0532 417 :EADIEKILTQ 2fuvA 525 :EEHRKQIEKE T0532 428 :YLASF 2fuvA 535 :AVEIV T0532 434 :QHPY 2fuvA 540 :SEVL T0532 485 :NE 2fuvA 544 :KN Number of specific fragments extracted= 26 number of extra gaps= 0 total=3744 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_167677447.pdb -s /var/tmp/to_scwrl_167677447.seq -o /var/tmp/from_scwrl_167677447.pdb > /var/tmp/scwrl_167677447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_167677447.pdb Number of alignments=323 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)V495 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATT 2fuvA 13 :QSDLIN T0532 39 :SLLATGLLLDIT 2fuvA 19 :VAQLTAQYYVLK T0532 72 :ESMEDYQY 2fuvA 31 :PEAGNAEH T0532 80 :NVFGRSGFGG 2fuvA 49 :GSAGRHSFNE T0532 91 :TTLINAQKMVESV 2fuvA 60 :HILAIAQAIAEER T0532 104 :SDDNVNAYDGLAHFIKA 2fuvA 88 :HALSEPAFISVLEVLAA T0532 131 :GDLPYEEAL 2fuvA 105 :NGVDVIVQE T0532 147 :RPKYNTQKEVMNFILS 2fuvA 114 :NNGFTPTPAVSNAILV T0532 169 :ELFSTAKDFD 2fuvA 130 :HNKKGGPLAD T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTKH 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLGGSG T0532 262 :AMLSTMLIDKF 2fuvA 241 :IEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 2fuvA 364 :RKLVEVPVGFKWFVDGLFDGSFGFGGEESA T0532 331 :YTDYPSGEPVVR 2fuvA 402 :GTPWSTDKDGII T0532 348 :QNFILAEAAVRGWIS 2fuvA 414 :MCLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPDE 2fuvA 436 :LAARFGAPSYNRLQA T0532 413 :SGEKEADIE 2fuvA 451 :SATSAQKAA T0532 424 :L 2fuvA 460 :L T0532 429 :LASF 2fuvA 461 :SKLS T0532 434 :QHPY 2fuvA 465 :PEMV T0532 439 :V 2fuvA 469 :S T0532 442 :DYRRTGYPVLP 2fuvA 470 :ASTLAGDPITA T0532 466 :LPMRWMYPKSESDY 2fuvA 516 :KIYCESFLGEEHRK T0532 480 :NLE 2fuvA 532 :EKE T0532 486 :EALERQFGG 2fuvA 537 :EIVSEVLKN Number of specific fragments extracted= 29 number of extra gaps= 1 total=3773 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_478245155.pdb -s /var/tmp/to_scwrl_478245155.seq -o /var/tmp/from_scwrl_478245155.pdb > /var/tmp/scwrl_478245155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478245155.pdb Number of alignments=324 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)K208 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)E209 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)S210 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)V495 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 31 :DATTKVTS 2fuvA 9 :QPAQQSDL T0532 39 :SLLATGLLLDIT 2fuvA 19 :VAQLTAQYYVLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 55 :SFNEPHILAIAQAIAEERAKNGITGPCYV T0532 90 :YTTLINAQKMVESV 2fuvA 93 :PAFISVLEVLAANG T0532 104 :SD 2fuvA 120 :TP T0532 120 :AYKIFYMSMEMGDLPYEEALQ 2fuvA 122 :AVSNAILVHNKKGGPLADGIV T0532 142 :ELGLVRPKYN 2fuvA 143 :ITPSHNPPED T0532 172 :STAKDFDG 2fuvA 156 :KYNPPNGG T0532 182 :ILGGSISK 2fuvA 164 :PADTNVTK T0532 192 :KATTAFQL 2fuvA 175 :DRANALLA T0532 206 :SK 2fuvA 183 :GG T0532 212 :A 2fuvA 188 :V T0532 216 :VKERFARIVASG 2fuvA 189 :KRISLDAAMASG T0532 228 :SLM 2fuvA 206 :DLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTKH 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLGGSG T0532 262 :AMLSTMLIDKF 2fuvA 241 :IEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 277 :DIRMFYYAKPAKAKLNEG 2fuvA 361 :DLGRKLVEVPVGFKWFVD T0532 302 :AYIGTDPSL 2fuvA 379 :GLFDGSFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPD 2fuvA 436 :LAARFGAPSYNRLQ T0532 414 :GEKEADIEKILTQRYLASF 2fuvA 450 :ASATSAQKAALSKLSPEMV T0532 434 :QHPY 2fuvA 469 :SAST T0532 445 :RTGYPVLP 2fuvA 473 :LAGDPITA T0532 455 :PATNRNTMNDR 2fuvA 504 :FAARPSGTEDA T0532 466 :LPMRWMYPKSESDY 2fuvA 516 :KIYCESFLGEEHRK T0532 480 :NLE 2fuvA 532 :EKE T0532 486 :EALERQFGG 2fuvA 537 :EIVSEVLKN Number of specific fragments extracted= 31 number of extra gaps= 1 total=3804 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1345679084.pdb -s /var/tmp/to_scwrl_1345679084.seq -o /var/tmp/from_scwrl_1345679084.pdb > /var/tmp/scwrl_1345679084.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1345679084.pdb Number of alignments=325 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)K2 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)D132 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)A487 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLATGLLL 2fuvA 30 :KPEAGNAEHAVKFGTSGHR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 55 :SFNEPHILAIAQAIAEERAKNGITGPCYV T0532 84 :RSGFGG 2fuvA 162 :GGPADT T0532 90 :YTTL 2fuvA 170 :TKVV T0532 94 :INAQKMVESV 2fuvA 175 :DRANALLAGG T0532 137 :EALQGELGLVRPKYNTQKEVMNFILSDLETAYELF 2fuvA 188 :VKRISLDAAMASGHVKAVDLVQPFVEGLADIVDMA T0532 172 :STAKD 2fuvA 226 :KAGLT T0532 180 :DPILGGSISKWKKATTAFQLKVLM 2fuvA 234 :DPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDADL 2fuvA 260 :DQVDQTFRF T0532 215 :KV 2fuvA 284 :EC T0532 223 :IVA 2fuvA 286 :AMA T0532 227 :G 2fuvA 289 :G T0532 228 :SLMESNEDNL 2fuvA 292 :ALRDKFDLAF T0532 238 :QMKYADKANTVYPFHNTNT 2fuvA 324 :YLAVAINYLFQHRPLWGKD T0532 258 :HAGYAMLSTMLIDKF 2fuvA 344 :AVGKTLVSSAMIDRV T0532 275 :TGDIRMFYYAKPAKAKLNE 2fuvA 359 :VNDLGRKLVEVPVGFKWFV T0532 301 :DAYIGTDPSLPFEQI 2fuvA 378 :DGLFDGSFGFGGEES T0532 317 :KAYATEQY 2fuvA 393 :AGASFLRF T0532 330 :RYTDYPSGEPVVRL 2fuvA 401 :DGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWI 2fuvA 415 :CLLAAEITAVTGK T0532 364 :DASAYYKK 2fuvA 428 :NPQEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 413 :SGEKEAD 2fuvA 509 :SGTEDAY T0532 422 :KI 2fuvA 516 :KI T0532 428 :YLASFMQHPY 2fuvA 518 :YCESFLGEEH T0532 469 :RWMYPKSESDYNLEHQNE 2fuvA 528 :RKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 27 number of extra gaps= 2 total=3831 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_717831161.pdb -s /var/tmp/to_scwrl_717831161.seq -o /var/tmp/from_scwrl_717831161.pdb > /var/tmp/scwrl_717831161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_717831161.pdb Number of alignments=326 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)V495 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLL 2fuvA 13 :QSDLINVAQLTAQ T0532 46 :LLDIT 2fuvA 26 :YYVLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 52 :GRHSFNEPHILAIAQAIAEERAKNGITGP T0532 117 :FIKAYKIFYMSMEMGDLPYEEAL 2fuvA 91 :SEPAFISVLEVLAANGVDVIVQE T0532 144 :G 2fuvA 114 :N T0532 183 :LGGSISK 2fuvA 115 :NGFTPTP T0532 192 :KATTAFQ 2fuvA 122 :AVSNAIL T0532 204 :H 2fuvA 129 :V T0532 206 :SKKESDA 2fuvA 130 :HNKKGGP T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTN 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLG T0532 259 :AGYAMLSTMLIDKF 2fuvA 238 :GSGIEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 305 :GTDPS 2fuvA 388 :GGEES T0532 317 :KAYATEQYSGFN 2fuvA 393 :AGASFLRFDGTP T0532 334 :YPSGEPVVRL 2fuvA 405 :WSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNT 2fuvA 436 :LAARFGAPSYNR T0532 410 :IQLSGEKEA 2fuvA 448 :LQASATSAQ T0532 420 :IEKIL 2fuvA 457 :KAALS T0532 430 :ASF 2fuvA 462 :KLS T0532 434 :QHPYD 2fuvA 465 :PEMVS T0532 449 :P 2fuvA 470 :A T0532 453 :INPA 2fuvA 508 :PSGT T0532 464 :DRLPMRW 2fuvA 512 :EDAYKIY T0532 471 :MYPKSESDYNLEHQNEALERQFGG 2fuvA 522 :FLGEEHRKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 29 number of extra gaps= 1 total=3860 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1494107961.pdb -s /var/tmp/to_scwrl_1494107961.seq -o /var/tmp/from_scwrl_1494107961.pdb > /var/tmp/scwrl_1494107961.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494107961.pdb Number of alignments=327 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)V495 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLAT 2fuvA 13 :QSDLINVAQLTAQYY T0532 69 :AWGESMEDYQY 2fuvA 28 :VLKPEAGNAEH T0532 80 :NVFGRSGFGG 2fuvA 49 :GSAGRHSFNE T0532 91 :TTLINAQKMVESV 2fuvA 59 :PHILAIAQAIAEE T0532 118 :IKAYKIFYMSMEMGDLPYEEAL 2fuvA 92 :EPAFISVLEVLAANGVDVIVQE T0532 144 :GL 2fuvA 114 :NN T0532 184 :GGSISK 2fuvA 116 :GFTPTP T0532 197 :FQLKVLMHLSKKES 2fuvA 122 :AVSNAILVHNKKGG T0532 213 :DL 2fuvA 136 :PL T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTN 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLG T0532 259 :AGYAMLSTMLIDKF 2fuvA 238 :GSGIEYWKRIAEHY T0532 274 :A 2fuvA 252 :K T0532 289 :AKLNEGVTADSW 2fuvA 269 :MHLDKDGAIRMD T0532 301 :DAYIGTDPS 2fuvA 384 :SFGFGGEES T0532 317 :KAYATE 2fuvA 393 :AGASFL T0532 326 :GFNARY 2fuvA 399 :RFDGTP T0532 334 :YPSGEPVVRL 2fuvA 405 :WSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASN 2fuvA 436 :LAARFGAPSYN T0532 391 :HHGHPITEEAIAAF 2fuvA 447 :RLQASATSAQKAAL T0532 413 :SGE 2fuvA 522 :FLG T0532 417 :EADIEKILTQRYLASF 2fuvA 525 :EEHRKQIEKEAVEIVS T0532 490 :RQFGG 2fuvA 541 :EVLKN Number of specific fragments extracted= 27 number of extra gaps= 1 total=3887 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_759549940.pdb -s /var/tmp/to_scwrl_759549940.seq -o /var/tmp/from_scwrl_759549940.pdb > /var/tmp/scwrl_759549940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_759549940.pdb Number of alignments=328 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)E209 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)S210 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)D211 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)V495 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 10 :PAQQSDLINVAQLTAQYYVLKPEAGNAEH T0532 80 :NVFGRSGFGG 2fuvA 49 :GSAGRHSFNE T0532 91 :TTLINAQKMVESV 2fuvA 60 :HILAIAQAIAEER T0532 107 :NVNAYDGLAHFIKA 2fuvA 91 :SEPAFISVLEVLAA T0532 131 :GDLPYEEAL 2fuvA 105 :NGVDVIVQE T0532 147 :RPKYNTQKEVMNFILSD 2fuvA 114 :NNGFTPTPAVSNAILVH T0532 170 :LFSTAKD 2fuvA 131 :NKKGGPL T0532 180 :DPILGGSISK 2fuvA 158 :NPPNGGPADT T0532 192 :KATTAFQLKVLMHLSKK 2fuvA 168 :NVTKVVEDRANALLAGG T0532 212 :ADLKV 2fuvA 188 :VKRIS T0532 220 :FARIVASG 2fuvA 193 :LDAAMASG T0532 228 :S 2fuvA 206 :D T0532 231 :ESNEDNL 2fuvA 213 :EGLADIV T0532 280 :MFYYAKPAKAKLNEGVTADSW 2fuvA 297 :FDLAFANDPDYDRHGIVTPAG T0532 303 :YIGTDPS 2fuvA 386 :GFGGEES T0532 317 :KAYATEQY 2fuvA 393 :AGASFLRF T0532 330 :RYTDYPSGEPVVRL 2fuvA 401 :DGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPD 2fuvA 436 :LAARFGAPSYNRLQ T0532 412 :LSGEKEADIEK 2fuvA 450 :ASATSAQKAAL T0532 429 :LASF 2fuvA 461 :SKLS T0532 434 :QHPY 2fuvA 465 :PEMV T0532 441 :YDYRRTGYPVLP 2fuvA 469 :SASTLAGDPITA T0532 472 :YPKSESDYNLEHQNEALERQFGG 2fuvA 523 :LGEEHRKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 26 number of extra gaps= 1 total=3913 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1988851459.pdb -s /var/tmp/to_scwrl_1988851459.seq -o /var/tmp/from_scwrl_1988851459.pdb > /var/tmp/scwrl_1988851459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988851459.pdb Number of alignments=329 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)V495 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 2fuvA 10 :PAQQSDLINVAQLTAQYYVLKPEAGNAEH T0532 80 :NVFGRSGFGG 2fuvA 49 :GSAGRHSFNE T0532 91 :TTLINAQKMVESV 2fuvA 59 :PHILAIAQAIAEE T0532 141 :GELGLVRPKYNTQKEVMNFILSDLETAYELF 2fuvA 76 :GITGPCYVGKDTHALSEPAFISVLEVLAANG T0532 172 :STAKDFDG 2fuvA 108 :DVIVQENN T0532 184 :GGSISK 2fuvA 116 :GFTPTP T0532 192 :KATTAFQLK 2fuvA 122 :AVSNAILVH T0532 206 :SK 2fuvA 131 :NK T0532 209 :ES 2fuvA 133 :KG T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTKH 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLGGSG T0532 262 :AMLSTMLIDKF 2fuvA 241 :IEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 277 :DIRMFYYAKPAKAKLNEG 2fuvA 361 :DLGRKLVEVPVGFKWFVD T0532 301 :DAYI 2fuvA 384 :SFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVR 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGII T0532 348 :QNFILAEAAVRGWISG 2fuvA 414 :MCLLAAEITAVTGKNP T0532 366 :SAYYKK 2fuvA 430 :QEHYNE T0532 373 :IRAHMEFIASNTPDE 2fuvA 436 :LAARFGAPSYNRLQA T0532 413 :SGEKEADIEK 2fuvA 451 :SATSAQKAAL T0532 430 :ASF 2fuvA 462 :KLS T0532 434 :QHPY 2fuvA 465 :PEMV T0532 448 :YPV 2fuvA 469 :SAS T0532 455 :PATNRNTMNDR 2fuvA 504 :FAARPSGTEDA T0532 466 :LPMRWMYPKSESDY 2fuvA 516 :KIYCESFLGEEHRK T0532 480 :NLEHQ 2fuvA 532 :EKEAV T0532 486 :EALERQFGG 2fuvA 537 :EIVSEVLKN Number of specific fragments extracted= 29 number of extra gaps= 1 total=3942 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_4702531.pdb -s /var/tmp/to_scwrl_4702531.seq -o /var/tmp/from_scwrl_4702531.pdb > /var/tmp/scwrl_4702531.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_4702531.pdb Number of alignments=330 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 238 :QMKYADKANTVYPFHNTNT 2fuvA 220 :DMAAIQKAGLTLGVDPLGG T0532 260 :GYAMLSTMLIDKF 2fuvA 239 :SGIEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 301 :DAYIGTDPSL 2fuvA 378 :DGLFDGSFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWI 2fuvA 415 :CLLAAEITAVTGK T0532 364 :DASAYYKK 2fuvA 428 :NPQEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 405 :LETPAIQ 2fuvA 514 :AYKIYCE T0532 413 :SGEKEADIEKILTQ 2fuvA 521 :SFLGEEHRKQIEKE Number of specific fragments extracted= 11 number of extra gaps= 0 total=3953 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_29374091.pdb -s /var/tmp/to_scwrl_29374091.seq -o /var/tmp/from_scwrl_29374091.pdb > /var/tmp/scwrl_29374091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29374091.pdb Number of alignments=331 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 234 :EDNL 2fuvA 14 :SDLI T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 319 :MNPNHYLAVAINYLFQHRPLWGKDVAVGKTLVSSA T0532 274 :ATG 2fuvA 354 :MID T0532 277 :DIRMFYYAKPAKAKLNE 2fuvA 361 :DLGRKLVEVPVGFKWFV T0532 301 :DAYIGTDPSL 2fuvA 378 :DGLFDGSFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWISGD 2fuvA 415 :CLLAAEITAVTGKNPQ T0532 367 :AYYKK 2fuvA 431 :EHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 405 :LETPAIQLSGE 2fuvA 514 :AYKIYCESFLG T0532 417 :EADIEKILTQ 2fuvA 525 :EEHRKQIEKE Number of specific fragments extracted= 11 number of extra gaps= 0 total=3964 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1127004881.pdb -s /var/tmp/to_scwrl_1127004881.seq -o /var/tmp/from_scwrl_1127004881.pdb > /var/tmp/scwrl_1127004881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127004881.pdb Number of alignments=332 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 319 :MNPNHYLAVAINYLFQHRPLWGKDVAVGKTLVSSA T0532 274 :ATG 2fuvA 354 :MID T0532 277 :DIRMFYYAKPAKAKLNE 2fuvA 361 :DLGRKLVEVPVGFKWFV T0532 301 :DAYIGTDPSLPFEQI 2fuvA 378 :DGLFDGSFGFGGEES T0532 317 :KAYATEQY 2fuvA 393 :AGASFLRF T0532 330 :RYTDYPSGEPVVRL 2fuvA 401 :DGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM Number of specific fragments extracted= 9 number of extra gaps= 0 total=3973 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_944791593.pdb -s /var/tmp/to_scwrl_944791593.seq -o /var/tmp/from_scwrl_944791593.pdb > /var/tmp/scwrl_944791593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_944791593.pdb Number of alignments=333 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 215 :KVKERFARIVASG 2fuvA 64 :IAQAIAEERAKNG T0532 228 :SLM 2fuvA 80 :PCY T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 2fuvA 146 :SHNPPEDGGIKYNPPNGGPADTNVTKVVEDRANALLAGG T0532 277 :DIRMFYYAKPAKAKLNEG 2fuvA 361 :DLGRKLVEVPVGFKWFVD T0532 301 :DAYIGTDPSLPFEQ 2fuvA 379 :GLFDGSFGFGGEES T0532 317 :KAYATEQYS 2fuvA 393 :AGASFLRFD T0532 331 :YTDYPSGEPVVRL 2fuvA 402 :GTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 405 :LETPAIQLSGE 2fuvA 514 :AYKIYCESFLG T0532 417 :EADIEKILTQ 2fuvA 525 :EEHRKQIEKE Number of specific fragments extracted= 12 number of extra gaps= 0 total=3985 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1340830452.pdb -s /var/tmp/to_scwrl_1340830452.seq -o /var/tmp/from_scwrl_1340830452.pdb > /var/tmp/scwrl_1340830452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340830452.pdb Number of alignments=334 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 215 :KVKERFARIVASG 2fuvA 64 :IAQAIAEERAKNG T0532 228 :SL 2fuvA 80 :PC T0532 253 :NTNTKHAGYAMLSTMLIDKFKATG 2fuvA 108 :DVIVQENNGFTPTPAVSNAILVHN T0532 277 :DIRMFYYAKPAKAKLNEG 2fuvA 361 :DLGRKLVEVPVGFKWFVD T0532 301 :DAYIGTDPSLPFEQ 2fuvA 379 :GLFDGSFGFGGEES T0532 317 :KAYATEQYSGFNA 2fuvA 393 :AGASFLRFDGTPW T0532 335 :PSGEPVVR 2fuvA 406 :STDKDGII T0532 348 :QNFILAEAAVRGWISG 2fuvA 414 :MCLLAAEITAVTGKNP T0532 366 :SAYYKK 2fuvA 430 :QEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 405 :LETPAIQLSGE 2fuvA 514 :AYKIYCESFLG T0532 417 :EADIEKILTQ 2fuvA 525 :EEHRKQIEKE Number of specific fragments extracted= 12 number of extra gaps= 0 total=3997 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2135857707.pdb -s /var/tmp/to_scwrl_2135857707.seq -o /var/tmp/from_scwrl_2135857707.pdb > /var/tmp/scwrl_2135857707.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2135857707.pdb Number of alignments=335 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 215 :KVKERFARIVASG 2fuvA 94 :AFISVLEVLAANG T0532 228 :SLM 2fuvA 108 :DVI T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 2fuvA 146 :SHNPPEDGGIKYNPPNGGPADTNVTKVVEDRANALLAGG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 2fuvA 364 :RKLVEVPVGFKWFVDGLFDGSFGFGGEESA T0532 331 :YTDYPSGEPVVR 2fuvA 402 :GTPWSTDKDGII T0532 348 :QNFILAEAAVRGWIS 2fuvA 414 :MCLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIAS 2fuvA 436 :LAARFGAPSY Number of specific fragments extracted= 8 number of extra gaps= 0 total=4005 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_491529216.pdb -s /var/tmp/to_scwrl_491529216.seq -o /var/tmp/from_scwrl_491529216.pdb > /var/tmp/scwrl_491529216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_491529216.pdb Number of alignments=336 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 215 :KV 2fuvA 94 :AF T0532 253 :NTNTKHAGYAMLSTMLIDKFKATG 2fuvA 161 :NGGPADTNVTKVVEDRANALLAGG T0532 277 :DIRMFYYAKPAKAKLNE 2fuvA 361 :DLGRKLVEVPVGFKWFV T0532 305 :GTDPSL 2fuvA 382 :DGSFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPD 2fuvA 436 :LAARFGAPSYNRLQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=4013 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1522285489.pdb -s /var/tmp/to_scwrl_1522285489.seq -o /var/tmp/from_scwrl_1522285489.pdb > /var/tmp/scwrl_1522285489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1522285489.pdb Number of alignments=337 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLGGS T0532 261 :YAMLSTMLIDKF 2fuvA 240 :GIEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 277 :DIRMFYYAKPAKAKLNE 2fuvA 361 :DLGRKLVEVPVGFKWFV T0532 301 :DAYIGTDPSLPFEQI 2fuvA 378 :DGLFDGSFGFGGEES T0532 317 :KAYATEQY 2fuvA 393 :AGASFLRF T0532 330 :RYTDYPSGEPVVRL 2fuvA 401 :DGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWI 2fuvA 415 :CLLAAEITAVTGK T0532 364 :DASAYYKK 2fuvA 428 :NPQEHYNE T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 2fuvA 436 :LAARFGAPSYNRLQASATSAQKAALSKLSPEM T0532 405 :LETPAIQLSG 2fuvA 514 :AYKIYCESFL T0532 416 :KEADIEKILTQ 2fuvA 524 :GEEHRKQIEKE Number of specific fragments extracted= 14 number of extra gaps= 1 total=4027 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1927321047.pdb -s /var/tmp/to_scwrl_1927321047.seq -o /var/tmp/from_scwrl_1927321047.pdb > /var/tmp/scwrl_1927321047.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1927321047.pdb Number of alignments=338 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 T0532 152 :TQKEVMNFIL 2fuvA 18 :NVAQLTAQYY T0532 170 :LFSTAKDFDG 2fuvA 28 :VLKPEAGNAE T0532 180 :DPILGGSISK 2fuvA 49 :GSAGRHSFNE T0532 192 :KATTAFQLKVLMHLS 2fuvA 59 :PHILAIAQAIAEERA T0532 210 :SDADL 2fuvA 74 :KNGIT T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTN 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLG T0532 259 :AGYAMLSTMLIDKF 2fuvA 238 :GSGIEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 305 :GTDPS 2fuvA 388 :GGEES T0532 317 :KAYATEQYSGFN 2fuvA 393 :AGASFLRFDGTP T0532 334 :YPSGEPVVRL 2fuvA 405 :WSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIAS 2fuvA 436 :LAARFGAPSY T0532 383 :NTPD 2fuvA 451 :SATS T0532 387 :EEVY 2fuvA 458 :AALS T0532 413 :SGE 2fuvA 522 :FLG T0532 417 :EADIEKILTQR 2fuvA 525 :EEHRKQIEKEA Number of specific fragments extracted= 20 number of extra gaps= 1 total=4047 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_989381093.pdb -s /var/tmp/to_scwrl_989381093.seq -o /var/tmp/from_scwrl_989381093.pdb > /var/tmp/scwrl_989381093.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_989381093.pdb Number of alignments=339 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 T0532 147 :RPK 2fuvA 12 :QQS T0532 150 :YNTQKEVMNF 2fuvA 16 :LINVAQLTAQ T0532 171 :FSTAKDFDG 2fuvA 26 :YYVLKPEAG T0532 180 :DPILGGSISK 2fuvA 49 :GSAGRHSFNE T0532 192 :KATTAFQLKVLMHLSKKES 2fuvA 59 :PHILAIAQAIAEERAKNGI T0532 213 :DL 2fuvA 78 :TG T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTN 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLG T0532 259 :AGYAMLSTMLIDKF 2fuvA 238 :GSGIEYWKRIAEHY T0532 274 :A 2fuvA 252 :K T0532 289 :AKLNEGVTADSW 2fuvA 269 :MHLDKDGAIRMD T0532 301 :DAYIGTDPS 2fuvA 384 :SFGFGGEES T0532 317 :KAYATE 2fuvA 393 :AGASFL T0532 326 :GFNARY 2fuvA 399 :RFDGTP T0532 334 :YPSGEPVVRL 2fuvA 405 :WSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASN 2fuvA 436 :LAARFGAPSYN T0532 391 :HHGHPITEEAIAAF 2fuvA 447 :RLQASATSAQKAAL T0532 413 :SGE 2fuvA 522 :FLG T0532 417 :EADIEKILTQRYL 2fuvA 525 :EEHRKQIEKEAVE Number of specific fragments extracted= 22 number of extra gaps= 1 total=4069 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_793998856.pdb -s /var/tmp/to_scwrl_793998856.seq -o /var/tmp/from_scwrl_793998856.pdb > /var/tmp/scwrl_793998856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793998856.pdb Number of alignments=340 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 215 :KVKERF 2fuvA 94 :AFISVL T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLS 2fuvA 143 :ITPSHNPPEDGGIKYNPPNGGPADTNVT T0532 266 :TMLIDKFKATG 2fuvA 174 :EDRANALLAGG T0532 289 :AKLNEGVTADSW 2fuvA 306 :DYDRHGIVTPAG T0532 303 :YIGTDPS 2fuvA 386 :GFGGEES T0532 317 :KAYATEQY 2fuvA 393 :AGASFLRF T0532 330 :RYTDYPSGEPVVRL 2fuvA 401 :DGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIAS 2fuvA 436 :LAARFGAPSY Number of specific fragments extracted= 10 number of extra gaps= 0 total=4079 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1160506599.pdb -s /var/tmp/to_scwrl_1160506599.seq -o /var/tmp/from_scwrl_1160506599.pdb > /var/tmp/scwrl_1160506599.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160506599.pdb Number of alignments=341 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)S228 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 T0532 62 :ELLAKQMAWGESMEDYQY 2fuvA 21 :QLTAQYYVLKPEAGNAEH T0532 80 :NVFGRSGFGG 2fuvA 49 :GSAGRHSFNE T0532 91 :TTLINAQKMVESV 2fuvA 59 :PHILAIAQAIAEE T0532 141 :GELGLVRPKYNTQKEVMNFILSDLETAYELF 2fuvA 76 :GITGPCYVGKDTHALSEPAFISVLEVLAANG T0532 172 :STAKDFDG 2fuvA 108 :DVIVQENN T0532 184 :GGSISK 2fuvA 116 :GFTPTP T0532 192 :KATTAFQLK 2fuvA 122 :AVSNAILVH T0532 215 :KVKERFARIVASG 2fuvA 172 :VVEDRANALLAGG T0532 229 :LM 2fuvA 188 :VK T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTKH 2fuvA 213 :EGLADIVDMAAIQKAGLTLGVDPLGGSG T0532 262 :AMLSTMLIDKF 2fuvA 241 :IEYWKRIAEHY T0532 274 :ATG 2fuvA 252 :KLN T0532 301 :DAYI 2fuvA 384 :SFGF T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVR 2fuvA 388 :GGEESAGASFLRFDGTPWSTDKDGII T0532 348 :QNFILAEAAVRGWISG 2fuvA 414 :MCLLAAEITAVTGKNP T0532 366 :SAYYKK 2fuvA 430 :QEHYNE T0532 373 :IRAHMEFIAS 2fuvA 436 :LAARFGAPSY Number of specific fragments extracted= 17 number of extra gaps= 1 total=4096 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1631487686.pdb -s /var/tmp/to_scwrl_1631487686.seq -o /var/tmp/from_scwrl_1631487686.pdb > /var/tmp/scwrl_1631487686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1631487686.pdb Number of alignments=342 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)K175 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)G184 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)G185 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)Q491 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLATGLLLDITS 2fuvA 27 :YVLKPEAGNAEHAVKFGTSGHRG T0532 71 :GESMEDYQYNVFGRSGFGGY 2fuvA 151 :EDGGIKYNPPNGGPADTNVT T0532 91 :TTL 2fuvA 172 :VVE T0532 165 :ETAYELFSTA 2fuvA 175 :DRANALLAGG T0532 186 :SISKWKKATT 2fuvA 188 :VKRISLDAAM T0532 211 :DADLKVKERFAR 2fuvA 198 :ASGHVKAVDLVQ T0532 228 :SLMESNEDNLQMKYADKANTVY 2fuvA 210 :PFVEGLADIVDMAAIQKAGLTL T0532 253 :NTNTKHAGYAMLSTMLIDKF 2fuvA 232 :GVDPLGGSGIEYWKRIAEHY T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 366 :SAYYKK 2fuvA 430 :QEHYNE T0532 373 :IRAHMEFIASNTPDEEV 2fuvA 436 :LAARFGAPSYNRLQASA T0532 390 :YHHGHPI 2fuvA 511 :TEDAYKI T0532 410 :IQLSGEKEADIEKILTQ 2fuvA 518 :YCESFLGEEHRKQIEKE T0532 428 :YL 2fuvA 535 :AV T0532 482 :EHQNEALER 2fuvA 537 :EIVSEVLKN Number of specific fragments extracted= 17 number of extra gaps= 1 total=4113 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_735903238.pdb -s /var/tmp/to_scwrl_735903238.seq -o /var/tmp/from_scwrl_735903238.pdb > /var/tmp/scwrl_735903238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_735903238.pdb Number of alignments=343 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)Y90 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)T91 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)T92 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)Y390 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)T499 Warning: unaligning (T0532)H391 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)T499 Warning: unaligning (T0532)G447 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 2fuvA 9 :QPAQQSDLINVAQLTAQYYVLKPEAGNAEHAVKFGTSGHR T0532 69 :AWGESMEDYQYNVFGRSGFGG 2fuvA 164 :PADTNVTKVVEDRANALLAGG T0532 93 :LINAQKMVESVSDDNVNAYDGL 2fuvA 188 :VKRISLDAAMASGHVKAVDLVQ T0532 134 :PYEEALQGELG 2fuvA 210 :PFVEGLADIVD T0532 168 :YELFSTA 2fuvA 221 :MAAIQKA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLM 2fuvA 229 :LTLGVDPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDA 2fuvA 260 :DQVDQTF T0532 213 :DLKVKERFARIVASGSLMESN 2fuvA 274 :DGAIRMDCSSECAMAGLLALR T0532 235 :DNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 295 :DKFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 273 :KATGDIRMFYYAKPAKAK 2fuvA 357 :RVVNDLGRKLVEVPVGFK T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 375 :WFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWI 2fuvA 415 :CLLAAEITAVTGK T0532 364 :DASAYY 2fuvA 428 :NPQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 392 :HGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQ 2fuvA 500 :DNGWFAARPSGTEDAYKIYCESFLGEEHRKQIEKE T0532 436 :PYDVYYDYRRT 2fuvA 535 :AVEIVSEVLKN Number of specific fragments extracted= 17 number of extra gaps= 3 total=4130 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1363251750.pdb -s /var/tmp/to_scwrl_1363251750.seq -o /var/tmp/from_scwrl_1363251750.pdb > /var/tmp/scwrl_1363251750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363251750.pdb Number of alignments=344 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)L405 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)T499 Warning: unaligning (T0532)Q491 because last residue in template chain is (2fuvA)A546 T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDE 2fuvA 9 :QPAQQSDLINVAQLTAQYYVLKPEAGNAEHAVKF T0532 72 :ESMEDYQYNVFGRSGFGGY 2fuvA 152 :DGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVESV 2fuvA 172 :VVEDRANALLAGG T0532 113 :GLAH 2fuvA 194 :DAAM T0532 120 :AYK 2fuvA 198 :ASG T0532 138 :ALQG 2fuvA 201 :HVKA T0532 143 :LGLVRPKYNTQKEVMNF 2fuvA 205 :VDLVQPFVEGLADIVDM T0532 168 :YELFSTAKDFDGDPILGGSISKWKKATTAFQLKVLM 2fuvA 222 :AAIQKAGLTLGVDPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDA 2fuvA 260 :DQVDQTF T0532 216 :VKERFARIVASGSLMESN 2fuvA 277 :IRMDCSSECAMAGLLALR T0532 235 :DNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 295 :DKFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 273 :KATGDIRMFYYAKPAKAKLN 2fuvA 357 :RVVNDLGRKLVEVPVGFKWF T0532 306 :TDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 377 :VDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 406 :ETPAIQLSGEKEADIEKI 2fuvA 500 :DNGWFAARPSGTEDAYKI T0532 428 :YLASFM 2fuvA 518 :YCESFL T0532 435 :HPYDVY 2fuvA 524 :GEEHRK T0532 482 :EHQNEALER 2fuvA 537 :EIVSEVLKN Number of specific fragments extracted= 20 number of extra gaps= 2 total=4150 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1009729483.pdb -s /var/tmp/to_scwrl_1009729483.seq -o /var/tmp/from_scwrl_1009729483.pdb > /var/tmp/scwrl_1009729483.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1009729483.pdb Number of alignments=345 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)Q491 because last residue in template chain is (2fuvA)A546 T0532 29 :DPDATTKV 2fuvA 9 :QPAQQSDL T0532 73 :SMEDYQYNVFGRSGFGGY 2fuvA 39 :AVKFGTSGHRGSAGRHSF T0532 109 :NAYDGLAHFIKAY 2fuvA 59 :PHILAIAQAIAEE T0532 137 :EALQGELGLVRPKYNTQKEVMNFILSDLETAYELFS 2fuvA 72 :RAKNGITGPCYVGKDTHALSEPAFISVLEVLAANGV T0532 180 :DPILGGSI 2fuvA 108 :DVIVQENN T0532 207 :KKESDADLKVKERFAR 2fuvA 116 :GFTPTPAVSNAILVHN T0532 228 :SLMESNEDNLQMKYADKANTVYPF 2fuvA 132 :KKGGPLADGIVITPSHNPPEDGGI T0532 252 :HNTNTKHAGYAMLSTMLIDKF 2fuvA 157 :YNPPNGGPADTNVTKVVEDRA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 395 :PITEEAIAAFLETPAIQLSGEKEADIEKILTQ 2fuvA 503 :WFAARPSGTEDAYKIYCESFLGEEHRKQIEKE T0532 428 :YLASFM 2fuvA 535 :AVEIVS T0532 442 :DYRR 2fuvA 541 :EVLK T0532 490 :R 2fuvA 545 :N Number of specific fragments extracted= 16 number of extra gaps= 0 total=4166 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2017909380.pdb -s /var/tmp/to_scwrl_2017909380.seq -o /var/tmp/from_scwrl_2017909380.pdb > /var/tmp/scwrl_2017909380.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2017909380.pdb Number of alignments=346 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)G44 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)L481 because last residue in template chain is (2fuvA)A546 T0532 45 :LLLDI 2fuvA 3 :IHNRA T0532 50 :TSSSASKSFIYDELLAKQ 2fuvA 9 :QPAQQSDLINVAQLTAQY T0532 72 :ESMEDYQYNVFGRSGFGGY 2fuvA 35 :NAEHAVKFGTSGHRGSAGR T0532 91 :TT 2fuvA 55 :SF T0532 107 :NVNAYDGLAHFIKA 2fuvA 57 :NEPHILAIAQAIAE T0532 136 :EEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 2fuvA 71 :ERAKNGITGPCYVGKDTHALSEPAFISVLEVLAANGVDVIVQEN T0532 184 :G 2fuvA 115 :N T0532 207 :KKESDADLKVKERFAR 2fuvA 116 :GFTPTPAVSNAILVHN T0532 225 :ASGSLME 2fuvA 132 :KKGGPLA T0532 235 :DNLQMKYADKANT 2fuvA 139 :DGIVITPSHNPPE T0532 252 :HNTNTKHAGYAMLSTMLIDKF 2fuvA 157 :YNPPNGGPADTNVTKVVEDRA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVR 2fuvA 367 :VEVPVGFKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWST T0532 348 :QNFILAEAAVRGWIS 2fuvA 414 :MCLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 390 :YHHGHPIT 2fuvA 511 :TEDAYKIY T0532 411 :QLSGEKEADIEKILTQ 2fuvA 519 :CESFLGEEHRKQIEKE T0532 428 :YLASFM 2fuvA 535 :AVEIVS T0532 436 :P 2fuvA 541 :E T0532 443 :YRR 2fuvA 542 :VLK T0532 480 :N 2fuvA 545 :N Number of specific fragments extracted= 21 number of extra gaps= 0 total=4187 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_788812889.pdb -s /var/tmp/to_scwrl_788812889.seq -o /var/tmp/from_scwrl_788812889.pdb > /var/tmp/scwrl_788812889.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_788812889.pdb Number of alignments=347 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)K208 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)E209 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)S210 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)S232 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)N233 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)G447 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTK 2fuvA 9 :QPAQQSD T0532 36 :VTSSLLATGLLL 2fuvA 17 :INVAQLTAQYYV T0532 49 :ITSSSASKSF 2fuvA 29 :LKPEAGNAEH T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 2fuvA 43 :GTSGHRGSAGRHSFNEPHILAIAQAIAEERAKNGI T0532 104 :SDDNVNAYDGLAHFIKA 2fuvA 88 :HALSEPAFISVLEVLAA T0532 145 :LVRPKYNTQKEVMNFILSD 2fuvA 112 :QENNGFTPTPAVSNAILVH T0532 170 :LFS 2fuvA 131 :NKK T0532 178 :DGDPILGGS 2fuvA 156 :KYNPPNGGP T0532 187 :ISKWKKATTAFQL 2fuvA 170 :TKVVEDRANALLA T0532 206 :SK 2fuvA 183 :GG T0532 211 :DA 2fuvA 188 :VK T0532 213 :DLKVKERFAR 2fuvA 243 :YWKRIAEHYK T0532 227 :GSLME 2fuvA 253 :LNLTL T0532 234 :EDNLQMKYA 2fuvA 260 :DQVDQTFRF T0532 254 :TNTKHAGYAMLSTMLIDKF 2fuvA 269 :MHLDKDGAIRMDCSSECAM T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 2fuvA 291 :LALRDKFDLAFANDPDYDRHGIVTPAGLM T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 403 :AFLETPAIQLSGEKEADIEKILTQ 2fuvA 511 :TEDAYKIYCESFLGEEHRKQIEKE T0532 436 :PYDVYYDYRRT 2fuvA 535 :AVEIVSEVLKN Number of specific fragments extracted= 23 number of extra gaps= 2 total=4210 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1820384161.pdb -s /var/tmp/to_scwrl_1820384161.seq -o /var/tmp/from_scwrl_1820384161.pdb > /var/tmp/scwrl_1820384161.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1820384161.pdb Number of alignments=348 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)D106 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)L481 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTK 2fuvA 9 :QPAQQSD T0532 36 :VTS 2fuvA 17 :INV T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQM 2fuvA 20 :AQLTAQYYVLKPEAGNAEHAVKFGTSGHR T0532 69 :AWGESMEDYQYNVFGRSGFGGY 2fuvA 149 :PPEDGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVESV 2fuvA 172 :VVEDRANALLAGG T0532 107 :NVNAYDGLAHF 2fuvA 188 :VKRISLDAAMA T0532 130 :MGDLPYEEALQG 2fuvA 199 :SGHVKAVDLVQP T0532 160 :ILSDLETAYELFS 2fuvA 211 :FVEGLADIVDMAA T0532 173 :TAKDFDGDPILGGSISKWKKATTAFQLKVLM 2fuvA 227 :AGLTLGVDPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDA 2fuvA 260 :DQVDQTF T0532 227 :GSLME 2fuvA 288 :AGLLA T0532 233 :NEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 293 :LRDKFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 273 :KATGDIRMFYYAKPAKAKLNEG 2fuvA 357 :RVVNDLGRKLVEVPVGFKWFVD T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 379 :GLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 403 :AFLETPAIQLSGEKEADIEKILTQ 2fuvA 511 :TEDAYKIYCESFLGEEHRKQIEKE T0532 428 :YLASFM 2fuvA 535 :AVEIVS T0532 442 :DYRRT 2fuvA 541 :EVLKN Number of specific fragments extracted= 21 number of extra gaps= 2 total=4231 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1262773058.pdb -s /var/tmp/to_scwrl_1262773058.seq -o /var/tmp/from_scwrl_1262773058.pdb > /var/tmp/scwrl_1262773058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1262773058.pdb Number of alignments=349 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)Q491 because last residue in template chain is (2fuvA)A546 T0532 32 :ATTKVTSSLLATGLL 2fuvA 13 :QSDLINVAQLTAQYY T0532 69 :AWGESMEDYQYNVFGRSGFGGY 2fuvA 149 :PPEDGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVESV 2fuvA 172 :VVEDRANALLAGG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFS 2fuvA 194 :DAAMASGHVKAVDLVQPFVEGLADIVDMAA T0532 173 :T 2fuvA 227 :A T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLM 2fuvA 229 :LTLGVDPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDA 2fuvA 260 :DQVDQTF T0532 221 :ARIVASGSLMESNE 2fuvA 282 :SSECAMAGLLALRD T0532 236 :NLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 296 :KFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 273 :KATGDIRMFYYAKPAKAK 2fuvA 357 :RVVNDLGRKLVEVPVGFK T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 375 :WFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 406 :ETPAIQLSGEKEADIEKILTQR 2fuvA 514 :AYKIYCESFLGEEHRKQIEKEA T0532 481 :LEHQNEALER 2fuvA 536 :VEIVSEVLKN Number of specific fragments extracted= 16 number of extra gaps= 1 total=4247 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_84632119.pdb -s /var/tmp/to_scwrl_84632119.seq -o /var/tmp/from_scwrl_84632119.pdb > /var/tmp/scwrl_84632119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_84632119.pdb Number of alignments=350 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)R147 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)S232 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)N233 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)Q491 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKV 2fuvA 13 :QSDLINVA T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQ 2fuvA 21 :QLTAQYYVLKPEAGNAEHAVKFGTSGHR T0532 69 :AWGESMEDYQYNVFGRSGFGGY 2fuvA 149 :PPEDGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVE 2fuvA 172 :VVEDRANALLA T0532 143 :LG 2fuvA 183 :GG T0532 148 :PKYNTQKEVM 2fuvA 188 :VKRISLDAAM T0532 213 :DLKVKERFAR 2fuvA 243 :YWKRIAEHYK T0532 227 :GSLME 2fuvA 253 :LNLTL T0532 234 :EDNLQMKYADKANTVYPF 2fuvA 260 :DQVDQTFRFMHLDKDGAI T0532 282 :YYAKPAKAK 2fuvA 395 :ASFLRFDGT T0532 333 :DYPSGEPVVR 2fuvA 404 :PWSTDKDGII T0532 348 :QNFILAEAAVRGWIS 2fuvA 414 :MCLLAAEITAVTGKN T0532 366 :SAYYKK 2fuvA 430 :QEHYNE T0532 373 :IRAHMEFIASNTPDEEV 2fuvA 436 :LAARFGAPSYNRLQASA T0532 414 :GEKEADIEKILTQ 2fuvA 522 :FLGEEHRKQIEKE T0532 428 :YLASFM 2fuvA 535 :AVEIVS T0532 436 :P 2fuvA 541 :E T0532 487 :ALER 2fuvA 542 :VLKN Number of specific fragments extracted= 19 number of extra gaps= 2 total=4266 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_34308938.pdb -s /var/tmp/to_scwrl_34308938.seq -o /var/tmp/from_scwrl_34308938.pdb > /var/tmp/scwrl_34308938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34308938.pdb Number of alignments=351 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)R147 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)V495 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 2fuvA 52 :GRHSFNEPHILAIAQAIAEERAKNGITGPCYVGKDTHALS T0532 69 :AWGESMEDYQYNVFGRSGFGGY 2fuvA 149 :PPEDGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVE 2fuvA 172 :VVEDRANALLA T0532 143 :LG 2fuvA 183 :GG T0532 148 :PKYNTQKEVMN 2fuvA 188 :VKRISLDAAMA T0532 164 :LETAYELFSTA 2fuvA 208 :VQPFVEGLADI T0532 175 :KDFDGDPILGGSISKWKKATTAF 2fuvA 229 :LTLGVDPLGGSGIEYWKRIAEHY T0532 212 :A 2fuvA 252 :K T0532 219 :RFAR 2fuvA 289 :GLLA T0532 233 :NEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 293 :LRDKFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 282 :YYAKPAKAKL 2fuvA 395 :ASFLRFDGTP T0532 339 :PVVRLGYAEQNFILAEAAVRGWIS 2fuvA 405 :WSTDKDGIIMCLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASN 2fuvA 436 :LAARFGAPSYN T0532 391 :HHGHPITEEAIAAFLETPAIQLSGE 2fuvA 447 :RLQASATSAQKAALSKLSPEMVSAS T0532 446 :TGYPVL 2fuvA 474 :AGDPIT T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGG 2fuvA 509 :SGTEDAYKIYCESFLGEEHRKQIEKEAVEIVSEVLKN Number of specific fragments extracted= 18 number of extra gaps= 1 total=4284 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1017373117.pdb -s /var/tmp/to_scwrl_1017373117.seq -o /var/tmp/from_scwrl_1017373117.pdb > /var/tmp/scwrl_1017373117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017373117.pdb Number of alignments=352 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)H204 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)N259 Warning: unaligning (T0532)L205 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)N259 Warning: unaligning (T0532)G447 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTK 2fuvA 9 :QPAQQSD T0532 36 :VTS 2fuvA 17 :INV T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQM 2fuvA 20 :AQLTAQYYVLKPEAGNAEHAVKFGTSGHR T0532 69 :AWGESMEDYQYNVFGRSGFGGY 2fuvA 149 :PPEDGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVESV 2fuvA 172 :VVEDRANALLAGG T0532 108 :VNAYDGLAHF 2fuvA 189 :KRISLDAAMA T0532 131 :G 2fuvA 200 :G T0532 134 :PYEEALQGELG 2fuvA 210 :PFVEGLADIVD T0532 148 :P 2fuvA 221 :M T0532 166 :TAYEL 2fuvA 222 :AAIQK T0532 173 :TAKDFDGDPILGGSISKWKKATTAFQLKVLM 2fuvA 227 :AGLTLGVDPLGGSGIEYWKRIAEHYKLNLTL T0532 206 :SKKESDA 2fuvA 260 :DQVDQTF T0532 227 :GS 2fuvA 288 :AG T0532 230 :MESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 290 :LLALRDKFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 275 :TGDIRMFYYAKPAKAKLNEG 2fuvA 359 :VNDLGRKLVEVPVGFKWFVD T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 379 :GLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 412 :LSGEKEADIEKILTQ 2fuvA 520 :ESFLGEEHRKQIEKE T0532 436 :PYDVYYDYRRT 2fuvA 535 :AVEIVSEVLKN Number of specific fragments extracted= 22 number of extra gaps= 1 total=4306 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_418156975.pdb -s /var/tmp/to_scwrl_418156975.seq -o /var/tmp/from_scwrl_418156975.pdb > /var/tmp/scwrl_418156975.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_418156975.pdb Number of alignments=353 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)E25 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)E209 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)S210 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 Warning: unaligning (T0532)G447 because last residue in template chain is (2fuvA)A546 T0532 26 :INT 2fuvA 3 :IHN T0532 29 :DPDATTK 2fuvA 9 :QPAQQSD T0532 36 :VTSSLLATGLL 2fuvA 17 :INVAQLTAQYY T0532 48 :DITSSSASKSFIYDELLAKQM 2fuvA 28 :VLKPEAGNAEHAVKFGTSGHR T0532 69 :AWGESMEDYQYNVFGRSGFGGY 2fuvA 149 :PPEDGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVESV 2fuvA 172 :VVEDRANALLAGG T0532 211 :DA 2fuvA 188 :VK T0532 215 :KVKERFA 2fuvA 287 :MAGLLAL T0532 234 :EDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 294 :RDKFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 403 :AFLETPAIQLSGEKEADIEKILTQ 2fuvA 511 :TEDAYKIYCESFLGEEHRKQIEKE T0532 428 :YLASFM 2fuvA 535 :AVEIVS T0532 442 :DYRRT 2fuvA 541 :EVLKN Number of specific fragments extracted= 16 number of extra gaps= 1 total=4322 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_201986385.pdb -s /var/tmp/to_scwrl_201986385.seq -o /var/tmp/from_scwrl_201986385.pdb > /var/tmp/scwrl_201986385.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_201986385.pdb Number of alignments=354 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 15 :DLINVAQLTAQYYVLKPEAGNAEHAVKFGTSGHRGSAGRHSFNEPHIL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 366 :SAYYKK 2fuvA 430 :QEHYNE T0532 373 :IRAHMEFIASNTPDEEV 2fuvA 436 :LAARFGAPSYNRLQASA Number of specific fragments extracted= 5 number of extra gaps= 0 total=4327 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1495618271.pdb -s /var/tmp/to_scwrl_1495618271.seq -o /var/tmp/from_scwrl_1495618271.pdb > /var/tmp/scwrl_1495618271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495618271.pdb Number of alignments=355 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)H204 because first residue in template chain is (2fuvA)A2 Warning: unaligning (T0532)Y390 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)T499 Warning: unaligning (T0532)H391 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)T499 T0532 205 :LSKKESDADLKVKERFAR 2fuvA 3 :IHNRAGQPAQQSDLINVA T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 21 :QLTAQYYVLKPEAGNAEHAVKFGTSGHRGSAGRHSFNEPHIL T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 2fuvA 291 :LALRDKFDLAFANDPDYDRHGIVTPAGLM T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWI 2fuvA 415 :CLLAAEITAVTGK T0532 364 :DASAYY 2fuvA 428 :NPQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 392 :HGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQ 2fuvA 500 :DNGWFAARPSGTEDAYKIYCESFLGEEHRKQIEKE Number of specific fragments extracted= 8 number of extra gaps= 1 total=4335 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1763836060.pdb -s /var/tmp/to_scwrl_1763836060.seq -o /var/tmp/from_scwrl_1763836060.pdb > /var/tmp/scwrl_1763836060.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763836060.pdb Number of alignments=356 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 229 :LMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 19 :VAQLTAQYYVLKPEAGNAEHAVKFGTSGHRGSAGRHSFNEPHIL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA Number of specific fragments extracted= 5 number of extra gaps= 0 total=4340 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_919817546.pdb -s /var/tmp/to_scwrl_919817546.seq -o /var/tmp/from_scwrl_919817546.pdb > /var/tmp/scwrl_919817546.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_919817546.pdb Number of alignments=357 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 208 :KESDA 2fuvA 56 :FNEPH T0532 213 :DLKVKERFARIVASGSLMESNED 2fuvA 65 :AQAIAEERAKNGITGPCYVGKDT T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA T0532 395 :PITEEAIAAFLETPAIQLSGEKEADIEKILTQ 2fuvA 503 :WFAARPSGTEDAYKIYCESFLGEEHRKQIEKE Number of specific fragments extracted= 7 number of extra gaps= 0 total=4347 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_842242586.pdb -s /var/tmp/to_scwrl_842242586.seq -o /var/tmp/from_scwrl_842242586.pdb > /var/tmp/scwrl_842242586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_842242586.pdb Number of alignments=358 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKY 2fuvA 65 :AQAIAEERAKNGITGPCYVGKDTHALSEP T0532 247 :T 2fuvA 94 :A T0532 252 :HNTNTKHAGYAMLSTMLIDK 2fuvA 107 :VDVIVQENNGFTPTPAVSNA T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVR 2fuvA 368 :EVPVGFKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWST T0532 348 :QNFILAEAAVRGWIS 2fuvA 414 :MCLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDE 2fuvA 434 :NELAARFGAPSYNRLQA Number of specific fragments extracted= 7 number of extra gaps= 0 total=4354 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_375902353.pdb -s /var/tmp/to_scwrl_375902353.seq -o /var/tmp/from_scwrl_375902353.pdb > /var/tmp/scwrl_375902353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375902353.pdb Number of alignments=359 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 213 :DLKVKERFARIVASGSLMESNEDNLQ 2fuvA 65 :AQAIAEERAKNGITGPCYVGKDTHAL T0532 247 :TVYP 2fuvA 91 :SEPA T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 2fuvA 291 :LALRDKFDLAFANDPDYDRHGIVTPAGLM T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIAS 2fuvA 434 :NELAARFGAPSY Number of specific fragments extracted= 7 number of extra gaps= 0 total=4361 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_761185358.pdb -s /var/tmp/to_scwrl_761185358.seq -o /var/tmp/from_scwrl_761185358.pdb > /var/tmp/scwrl_761185358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761185358.pdb Number of alignments=360 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKY 2fuvA 65 :AQAIAEERAKNGITGPCYVGKDTHALSEP T0532 250 :P 2fuvA 94 :A T0532 276 :GDIRMFYYAKPAKAKLN 2fuvA 294 :RDKFDLAFANDPDYDRH T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA Number of specific fragments extracted= 7 number of extra gaps= 0 total=4368 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_846945117.pdb -s /var/tmp/to_scwrl_846945117.seq -o /var/tmp/from_scwrl_846945117.pdb > /var/tmp/scwrl_846945117.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_846945117.pdb Number of alignments=361 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTML 2fuvA 28 :VLKPEAGNAEHAVKFGTSGHRGSAGRHSFNE T0532 273 :KATGDIRMFYYAKPAKAK 2fuvA 357 :RVVNDLGRKLVEVPVGFK T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 375 :WFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYYK 2fuvA 429 :PQEHYN T0532 372 :AIRAHMEFIASNTPDEEV 2fuvA 435 :ELAARFGAPSYNRLQASA Number of specific fragments extracted= 6 number of extra gaps= 0 total=4374 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_405276444.pdb -s /var/tmp/to_scwrl_405276444.seq -o /var/tmp/from_scwrl_405276444.pdb > /var/tmp/scwrl_405276444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_405276444.pdb Number of alignments=362 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 252 :HNTNTKHAGYAMLSTMLIDKF 2fuvA 49 :GSAGRHSFNEPHILAIAQAIA T0532 282 :YYAKPAKAK 2fuvA 395 :ASFLRFDGT T0532 333 :DYPSGEPVVR 2fuvA 404 :PWSTDKDGII T0532 348 :QNFILAEAAVRGWIS 2fuvA 414 :MCLLAAEITAVTGKN T0532 366 :SAYYKKA 2fuvA 430 :QEHYNEL T0532 374 :RAHMEFIAS 2fuvA 437 :AARFGAPSY Number of specific fragments extracted= 6 number of extra gaps= 0 total=4380 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1888190240.pdb -s /var/tmp/to_scwrl_1888190240.seq -o /var/tmp/from_scwrl_1888190240.pdb > /var/tmp/scwrl_1888190240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1888190240.pdb Number of alignments=363 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (2fuvA)Q186 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)Q186 Warning: unaligning (T0532)R147 because of BadResidue code BAD_PEPTIDE at template residue (2fuvA)G187 T0532 35 :KVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 2fuvA 58 :EPHILAIAQAIAEERAKNGITGPCYVGKDTHALS T0532 69 :AWGESMEDYQYNVFGRSGFGGY 2fuvA 149 :PPEDGGIKYNPPNGGPADTNVT T0532 91 :TTLINAQKMVE 2fuvA 172 :VVEDRANALLA T0532 143 :LG 2fuvA 183 :GG T0532 148 :PKYNTQKEVMN 2fuvA 188 :VKRISLDAAMA T0532 164 :LETAYELFSTA 2fuvA 208 :VQPFVEGLADI T0532 175 :KDFDGDPILGGSISKWKKATTAF 2fuvA 229 :LTLGVDPLGGSGIEYWKRIAEHY T0532 212 :A 2fuvA 252 :K T0532 219 :RFAR 2fuvA 289 :GLLA T0532 233 :NEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 2fuvA 293 :LRDKFDLAFANDPDYDRHGIVTPAGLMNPNHYLAVAINYL T0532 282 :YYAKPAKAKL 2fuvA 395 :ASFLRFDGTP T0532 339 :PVVRLGYAEQNFILAEAAVRGWIS 2fuvA 405 :WSTDKDGIIMCLLAAEITAVTGKN T0532 365 :ASAYYKK 2fuvA 429 :PQEHYNE T0532 373 :IRAHMEFIASNTPDEEV 2fuvA 436 :LAARFGAPSYNRLQASA T0532 469 :RWMYPKSESDYNLEHQNEALER 2fuvA 520 :ESFLGEEHRKQIEKEAVEIVSE Number of specific fragments extracted= 15 number of extra gaps= 1 total=4395 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1791736709.pdb -s /var/tmp/to_scwrl_1791736709.seq -o /var/tmp/from_scwrl_1791736709.pdb > /var/tmp/scwrl_1791736709.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1791736709.pdb Number of alignments=364 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 207 :KKESDADLKVKERFARIVASGSLME 2fuvA 55 :SFNEPHILAIAQAIAEERAKNGITG T0532 236 :NLQMKYADKA 2fuvA 80 :PCYVGKDTHA T0532 247 :TVYPF 2fuvA 90 :LSEPA T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 2fuvA 291 :LALRDKFDLAFANDPDYDRHGIVTPAGLM T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFI 2fuvA 434 :NELAARFGAP Number of specific fragments extracted= 8 number of extra gaps= 0 total=4403 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1746106896.pdb -s /var/tmp/to_scwrl_1746106896.seq -o /var/tmp/from_scwrl_1746106896.pdb > /var/tmp/scwrl_1746106896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1746106896.pdb Number of alignments=365 # 2fuvA read from all-align.a2m # found chain 2fuvA in template set T0532 213 :DLKVKERFARIVASGSLMESNEDNLQ 2fuvA 65 :AQAIAEERAKNGITGPCYVGKDTHAL T0532 248 :VYP 2fuvA 91 :SEP T0532 252 :HNTNTKHAGYAMLSTMLI 2fuvA 107 :VDVIVQENNGFTPTPAVS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 2fuvA 291 :LALRDKFDLAFANDPDYDRHGIVTPAGLM T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRL 2fuvA 373 :FKWFVDGLFDGSFGFGGEESAGASFLRFDGTPWSTDKDGIIM T0532 349 :NFILAEAAVRGWIS 2fuvA 415 :CLLAAEITAVTGKN T0532 365 :ASAYY 2fuvA 429 :PQEHY T0532 371 :KAIRAHMEFIASNTPDEEV 2fuvA 434 :NELAARFGAPSYNRLQASA Number of specific fragments extracted= 8 number of extra gaps= 0 total=4411 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1876564300.pdb -s /var/tmp/to_scwrl_1876564300.seq -o /var/tmp/from_scwrl_1876564300.pdb > /var/tmp/scwrl_1876564300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1876564300.pdb Number of alignments=366 2wqhA expands to /projects/compbio/data/pdb/2wqh.pdb.gz 2wqhA:Skipped atom 26, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 27, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 28, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 29, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 30, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 31, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 165, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 166, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 167, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 168, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 169, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 170, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 171, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 192, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 193, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 194, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 195, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 196, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 197, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 198, because occupancy 0.500 <= existing 0.500 in 2wqhA Skipped atom 199, because occupancy 0.500 <= existing 0.500 in 2wqhA # 2wqhA read from all-align.a2m # adding 2wqhA to template set # found chain 2wqhA in template set Warning: unaligning (T0532)I4 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 T0532 5 :NKYISLLLATALLASCDKFDEINTDPDATTKV 2wqhA 7 :NSAEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 342 :RLGYAEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 39 :YPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 471 :MYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 2wqhA 73 :YPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELYP Number of specific fragments extracted= 3 number of extra gaps= 1 total=4414 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_135782279.pdb -s /var/tmp/to_scwrl_135782279.seq -o /var/tmp/from_scwrl_135782279.pdb > /var/tmp/scwrl_135782279.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_135782279.pdb Number of alignments=367 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)I4 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 T0532 5 :NKYISLLLATALLASCDKFDEINTDPDATTKV 2wqhA 7 :NSAEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 342 :RLGYAEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 39 :YPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 473 :PK 2wqhA 74 :PN T0532 475 :SESDYNLEHQNEALERQFGGVDDVNKLMWILQ 2wqhA 77 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELYP Number of specific fragments extracted= 4 number of extra gaps= 1 total=4418 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1120908738.pdb -s /var/tmp/to_scwrl_1120908738.seq -o /var/tmp/from_scwrl_1120908738.pdb > /var/tmp/scwrl_1120908738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1120908738.pdb Number of alignments=368 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 159 :FILSDLETAYELFSTAKDFDGD 2wqhA 20 :YKQGDYDEAIEYYQKALELYPN Number of specific fragments extracted= 1 number of extra gaps= 0 total=4419 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1656401700.pdb -s /var/tmp/to_scwrl_1656401700.seq -o /var/tmp/from_scwrl_1656401700.pdb > /var/tmp/scwrl_1656401700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1656401700.pdb Number of alignments=369 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=4419 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 1 :MKRINKYISLLLATALL 2wqhA 22 :QGDYDEAIEYYQKALEL T0532 342 :RLGYAEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 39 :YPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 471 :MYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 2wqhA 73 :YPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELYP Number of specific fragments extracted= 3 number of extra gaps= 0 total=4422 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1125163371.pdb -s /var/tmp/to_scwrl_1125163371.seq -o /var/tmp/from_scwrl_1125163371.pdb > /var/tmp/scwrl_1125163371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1125163371.pdb Number of alignments=370 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 1 :MKRINKYISLLLATALL 2wqhA 22 :QGDYDEAIEYYQKALEL T0532 342 :RLGYAEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 39 :YPNNAEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 472 :YPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 2wqhA 74 :PNNAEAWYNLGNAYYKQGDYDEAIEYYQKALELYP Number of specific fragments extracted= 3 number of extra gaps= 0 total=4425 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1914907594.pdb -s /var/tmp/to_scwrl_1914907594.seq -o /var/tmp/from_scwrl_1914907594.pdb > /var/tmp/scwrl_1914907594.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1914907594.pdb Number of alignments=371 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 159 :FILSDLETAYELFSTAKDFDGD 2wqhA 20 :YKQGDYDEAIEYYQKALELYPN Number of specific fragments extracted= 1 number of extra gaps= 0 total=4426 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_669424653.pdb -s /var/tmp/to_scwrl_669424653.seq -o /var/tmp/from_scwrl_669424653.pdb > /var/tmp/scwrl_669424653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_669424653.pdb Number of alignments=372 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 163 :DLETAYELFSTAKDFDGD 2wqhA 24 :DYDEAIEYYQKALELYPN Number of specific fragments extracted= 1 number of extra gaps= 0 total=4427 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)P452 because last residue in template chain is (2wqhA)P108 T0532 430 :ASFMQHPYDVYYDYRRTGYPVL 2wqhA 86 :AYYKQGDYDEAIEYYQKALELY Number of specific fragments extracted= 1 number of extra gaps= 0 total=4428 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_609167411.pdb -s /var/tmp/to_scwrl_609167411.seq -o /var/tmp/from_scwrl_609167411.pdb > /var/tmp/scwrl_609167411.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609167411.pdb Number of alignments=373 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=4428 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)D478 because last residue in template chain is (2wqhA)P108 T0532 82 :FGRSGFGG 2wqhA 7 :NSAEAWYN T0532 143 :LGL 2wqhA 15 :LGN T0532 206 :SKKESDADLKVKERFARIVA 2wqhA 18 :AYYKQGDYDEAIEYYQKALE T0532 229 :LMESNEDNL 2wqhA 38 :LYPNNAEAW T0532 319 :Y 2wqhA 47 :Y T0532 351 :ILAEAAVRGWISGDASAYYKK 2wqhA 48 :NLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 69 :ALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL T0532 454 :NPATNRNTMNDRLPMRWMYPKSES 2wqhA 84 :GNAYYKQGDYDEAIEYYQKALELY Number of specific fragments extracted= 9 number of extra gaps= 0 total=4437 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_503327185.pdb -s /var/tmp/to_scwrl_503327185.seq -o /var/tmp/from_scwrl_503327185.pdb > /var/tmp/scwrl_503327185.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503327185.pdb Number of alignments=374 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)P148 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)K149 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)D478 because last residue in template chain is (2wqhA)P108 T0532 150 :YN 2wqhA 7 :NS T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 9 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 28 :AIEYYQKALE T0532 229 :LMESNEDNL 2wqhA 38 :LYPNNAEAW T0532 334 :YPSGE 2wqhA 47 :YNLGN T0532 355 :AAVRGWISGDASAYYKK 2wqhA 52 :AYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 69 :ALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL T0532 454 :NPATNRNTMNDRLPMRWMYPKSES 2wqhA 84 :GNAYYKQGDYDEAIEYYQKALELY Number of specific fragments extracted= 9 number of extra gaps= 0 total=4446 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2032676403.pdb -s /var/tmp/to_scwrl_2032676403.seq -o /var/tmp/from_scwrl_2032676403.pdb > /var/tmp/scwrl_2032676403.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032676403.pdb Number of alignments=375 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)G184 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 185 :GSI 2wqhA 7 :NSA T0532 193 :ATTAFQLKVLMHLSKKES 2wqhA 10 :EAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 28 :AIEYYQKALE T0532 229 :LMESNEDNL 2wqhA 38 :LYPNNAEAW T0532 266 :TMLIDKFKATGDI 2wqhA 47 :YNLGNAYYKQGDY T0532 301 :DAY 2wqhA 60 :DEA T0532 317 :KAYA 2wqhA 63 :IEYY T0532 322 :EQYSGFNA 2wqhA 67 :QKALELYP T0532 344 :GYAEQNFILAEAAVRGWISGDASAYYKK 2wqhA 75 :NNAEAWYNLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 10 number of extra gaps= 0 total=4456 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1618896893.pdb -s /var/tmp/to_scwrl_1618896893.seq -o /var/tmp/from_scwrl_1618896893.pdb > /var/tmp/scwrl_1618896893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1618896893.pdb Number of alignments=376 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 34 :TKVTSSLLATGLLLDITS 2wqhA 7 :NSAEAWYNLGNAYYKQGD T0532 157 :MNFILSDLETAYELFSTA 2wqhA 25 :YDEAIEYYQKALELYPNN T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 43 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 62 :AIEYYQKALE T0532 229 :LMESNEDNL 2wqhA 72 :LYPNNAEAW T0532 350 :FILAEAAVRGWISGDASAYYKK 2wqhA 81 :YNLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 7 number of extra gaps= 0 total=4463 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_373752919.pdb -s /var/tmp/to_scwrl_373752919.seq -o /var/tmp/from_scwrl_373752919.pdb > /var/tmp/scwrl_373752919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_373752919.pdb Number of alignments=377 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)G184 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 185 :GS 2wqhA 7 :NS T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 9 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 28 :AIEYYQKALE T0532 229 :LMESNEDNL 2wqhA 38 :LYPNNAEAW T0532 266 :TMLIDKFKATGDI 2wqhA 47 :YNLGNAYYKQGDY T0532 301 :DA 2wqhA 60 :DE T0532 317 :KAYATEQYSGFNARY 2wqhA 62 :AIEYYQKALELYPNN T0532 346 :AEQNFILAEAAVRGWISGDASAYYKK 2wqhA 77 :AEAWYNLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 9 number of extra gaps= 0 total=4472 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_674005645.pdb -s /var/tmp/to_scwrl_674005645.seq -o /var/tmp/from_scwrl_674005645.pdb > /var/tmp/scwrl_674005645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_674005645.pdb Number of alignments=378 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 34 :TKVTSSLLATGLLLDITS 2wqhA 7 :NSAEAWYNLGNAYYKQGD T0532 157 :MNFILSDLETAYELFSTA 2wqhA 25 :YDEAIEYYQKALELYPNN T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 43 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 62 :AIEYYQKALE T0532 229 :LMESN 2wqhA 72 :LYPNN T0532 346 :AEQNFILAEAAVRGWISGDASAYYKK 2wqhA 77 :AEAWYNLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 7 number of extra gaps= 0 total=4479 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1291797407.pdb -s /var/tmp/to_scwrl_1291797407.seq -o /var/tmp/from_scwrl_1291797407.pdb > /var/tmp/scwrl_1291797407.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1291797407.pdb Number of alignments=379 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 34 :TKVTSSLLATGLLLDITS 2wqhA 7 :NSAEAWYNLGNAYYKQGD T0532 157 :MNFILSDLETAYELFSTA 2wqhA 25 :YDEAIEYYQKALELYPNN T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 43 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 62 :AIEYYQKALE T0532 229 :LMESNE 2wqhA 72 :LYPNNA T0532 347 :EQNFILAEAAVRGWISGDASAYYKK 2wqhA 78 :EAWYNLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 7 number of extra gaps= 0 total=4486 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1636525977.pdb -s /var/tmp/to_scwrl_1636525977.seq -o /var/tmp/from_scwrl_1636525977.pdb > /var/tmp/scwrl_1636525977.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1636525977.pdb Number of alignments=380 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 82 :FGRSGFG 2wqhA 7 :NSAEAWY T0532 142 :ELGLVRPKYNTQKEVMNF 2wqhA 14 :NLGNAYYKQGDYDEAIEY T0532 171 :FSTAKDFD 2wqhA 32 :YQKALELY T0532 184 :GGSISKWKKAT 2wqhA 40 :PNNAEAWYNLG T0532 200 :KVLMHLSKKES 2wqhA 51 :NAYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 62 :AIEYYQKALE T0532 229 :LMESNEDNLQM 2wqhA 72 :LYPNNAEAWYN T0532 268 :LID 2wqhA 83 :LGN T0532 355 :AAVRGWISGDASAYYKK 2wqhA 86 :AYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 10 number of extra gaps= 0 total=4496 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_758637765.pdb -s /var/tmp/to_scwrl_758637765.seq -o /var/tmp/from_scwrl_758637765.pdb > /var/tmp/scwrl_758637765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758637765.pdb Number of alignments=381 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 30 :P 2wqhA 7 :N T0532 35 :KVTS 2wqhA 8 :SAEA T0532 87 :FGG 2wqhA 12 :WYN T0532 112 :DGLAH 2wqhA 15 :LGNAY T0532 136 :EE 2wqhA 20 :YK T0532 140 :QG 2wqhA 22 :QG T0532 152 :T 2wqhA 24 :D T0532 157 :MNFILSDLETAYELFSTA 2wqhA 25 :YDEAIEYYQKALELYPNN T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 43 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVAS 2wqhA 62 :AIEYYQKALEL T0532 230 :MESNEDNL 2wqhA 73 :YPNNAEAW T0532 266 :TMLIDKF 2wqhA 81 :YNLGNAY T0532 357 :VR 2wqhA 88 :YK T0532 413 :SGEKEADIE 2wqhA 90 :QGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 15 number of extra gaps= 0 total=4511 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1326106345.pdb -s /var/tmp/to_scwrl_1326106345.seq -o /var/tmp/from_scwrl_1326106345.pdb > /var/tmp/scwrl_1326106345.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1326106345.pdb Number of alignments=382 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)K149 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 151 :NTQKEVMNFILSDLE 2wqhA 7 :NSAEAWYNLGNAYYK T0532 184 :GGSISK 2wqhA 22 :QGDYDE T0532 216 :VKERFARIVAS 2wqhA 28 :AIEYYQKALEL T0532 230 :MESNEDNL 2wqhA 39 :YPNNAEAW T0532 350 :FILAEAAVRGWISGDASAYYKKAI 2wqhA 47 :YNLGNAYYKQGDYDEAIEYYQKAL T0532 378 :EFIASN 2wqhA 71 :ELYPNN T0532 385 :P 2wqhA 77 :A T0532 395 :PITEEAIAAFLE 2wqhA 78 :EAWYNLGNAYYK T0532 413 :SGEKEADIE 2wqhA 90 :QGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 10 number of extra gaps= 0 total=4521 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_506415447.pdb -s /var/tmp/to_scwrl_506415447.seq -o /var/tmp/from_scwrl_506415447.pdb > /var/tmp/scwrl_506415447.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_506415447.pdb Number of alignments=383 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 34 :TKVTSSLLATGLLLDITS 2wqhA 7 :NSAEAWYNLGNAYYKQGD T0532 157 :MNFILSDLETAYELFSTA 2wqhA 25 :YDEAIEYYQKALELYPNN T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 43 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVAS 2wqhA 62 :AIEYYQKALEL T0532 230 :MESN 2wqhA 73 :YPNN T0532 346 :AEQNFILAEAAVRGWISGDASAYYKK 2wqhA 77 :AEAWYNLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 7 number of extra gaps= 0 total=4528 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1176794739.pdb -s /var/tmp/to_scwrl_1176794739.seq -o /var/tmp/from_scwrl_1176794739.pdb > /var/tmp/scwrl_1176794739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176794739.pdb Number of alignments=384 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 34 :TKVTSSLLATGLLLDITS 2wqhA 7 :NSAEAWYNLGNAYYKQGD T0532 157 :MNFILSDLETAYELFST 2wqhA 25 :YDEAIEYYQKALELYPN T0532 186 :S 2wqhA 42 :N T0532 192 :KATTAFQLKVLMHLSKKES 2wqhA 43 :AEAWYNLGNAYYKQGDYDE T0532 216 :VKERFARIVASG 2wqhA 62 :AIEYYQKALELY T0532 231 :ESN 2wqhA 74 :PNN T0532 346 :AEQNFILAEAAVRGWISGDASAYYKK 2wqhA 77 :AEAWYNLGNAYYKQGDYDEAIEYYQK T0532 428 :YLASF 2wqhA 103 :ALELY Number of specific fragments extracted= 8 number of extra gaps= 0 total=4536 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1528092730.pdb -s /var/tmp/to_scwrl_1528092730.seq -o /var/tmp/from_scwrl_1528092730.pdb > /var/tmp/scwrl_1528092730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1528092730.pdb Number of alignments=385 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)D478 because last residue in template chain is (2wqhA)P108 T0532 355 :AAVRGWISGDASAYYKKAI 2wqhA 18 :AYYKQGDYDEAIEYYQKAL T0532 394 :HPITEEAIAAFLETPAIQLSGEKEADIE 2wqhA 37 :ELYPNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL T0532 454 :NPATNRNTMNDRLPMRWMYPKSES 2wqhA 84 :GNAYYKQGDYDEAIEYYQKALELY Number of specific fragments extracted= 5 number of extra gaps= 0 total=4541 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2002033719.pdb -s /var/tmp/to_scwrl_2002033719.seq -o /var/tmp/from_scwrl_2002033719.pdb > /var/tmp/scwrl_2002033719.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2002033719.pdb Number of alignments=386 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)D478 because last residue in template chain is (2wqhA)P108 T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELYPNNAEAWYNLGNAYYK T0532 413 :SGEKEADIE 2wqhA 56 :QGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL T0532 454 :NPATNRNTMNDRLPMRWMYPKSES 2wqhA 84 :GNAYYKQGDYDEAIEYYQKALELY Number of specific fragments extracted= 5 number of extra gaps= 0 total=4546 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_793147153.pdb -s /var/tmp/to_scwrl_793147153.seq -o /var/tmp/from_scwrl_793147153.pdb > /var/tmp/scwrl_793147153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793147153.pdb Number of alignments=387 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)D478 because last residue in template chain is (2wqhA)P108 T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNT 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELYPNNAEAWY T0532 389 :VYHHGH 2wqhA 48 :NLGNAY T0532 411 :QLSGEKEADIE 2wqhA 54 :YKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL T0532 454 :NPATNRNTMNDRLPMRWMYPKSES 2wqhA 84 :GNAYYKQGDYDEAIEYYQKALELY Number of specific fragments extracted= 6 number of extra gaps= 0 total=4552 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_300426629.pdb -s /var/tmp/to_scwrl_300426629.seq -o /var/tmp/from_scwrl_300426629.pdb > /var/tmp/scwrl_300426629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300426629.pdb Number of alignments=388 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELYPNNAEA T0532 386 :D 2wqhA 46 :W T0532 388 :EVYHH 2wqhA 47 :YNLGN T0532 403 :AF 2wqhA 52 :AY T0532 411 :QLSGEKEADIE 2wqhA 54 :YKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL Number of specific fragments extracted= 7 number of extra gaps= 0 total=4559 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_696792658.pdb -s /var/tmp/to_scwrl_696792658.seq -o /var/tmp/from_scwrl_696792658.pdb > /var/tmp/scwrl_696792658.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_696792658.pdb Number of alignments=389 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPD 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELYPNNAEAWYNL T0532 387 :EEVYH 2wqhA 51 :NAYYK T0532 413 :SGEKEADIE 2wqhA 56 :QGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL Number of specific fragments extracted= 5 number of extra gaps= 0 total=4564 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1169049506.pdb -s /var/tmp/to_scwrl_1169049506.seq -o /var/tmp/from_scwrl_1169049506.pdb > /var/tmp/scwrl_1169049506.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1169049506.pdb Number of alignments=390 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 380 :IASNTPDEEVYHH 2wqhA 40 :PNNAEAWYNLGNA T0532 404 :FL 2wqhA 53 :YY T0532 412 :LSGEKEADIE 2wqhA 55 :KQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL Number of specific fragments extracted= 6 number of extra gaps= 0 total=4570 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1061611987.pdb -s /var/tmp/to_scwrl_1061611987.seq -o /var/tmp/from_scwrl_1061611987.pdb > /var/tmp/scwrl_1061611987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1061611987.pdb Number of alignments=391 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELYPNNAEAW T0532 398 :EEAIAA 2wqhA 47 :YNLGNA T0532 410 :IQLSGEKEADIE 2wqhA 53 :YYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL Number of specific fragments extracted= 5 number of extra gaps= 0 total=4575 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1543737775.pdb -s /var/tmp/to_scwrl_1543737775.seq -o /var/tmp/from_scwrl_1543737775.pdb > /var/tmp/scwrl_1543737775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1543737775.pdb Number of alignments=392 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 351 :ILAEAAVRGWISGDASAYYKKAIRA 2wqhA 48 :NLGNAYYKQGDYDEAIEYYQKALEL T0532 380 :IASNTPD 2wqhA 73 :YPNNAEA T0532 397 :TEEAIAAFLE 2wqhA 80 :WYNLGNAYYK T0532 413 :SGEKEADIE 2wqhA 90 :QGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 5 number of extra gaps= 0 total=4580 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1574325950.pdb -s /var/tmp/to_scwrl_1574325950.seq -o /var/tmp/from_scwrl_1574325950.pdb > /var/tmp/scwrl_1574325950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1574325950.pdb Number of alignments=393 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Q434 because last residue in template chain is (2wqhA)P108 T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIR 2wqhA 43 :AEAWYNLGNAYYKQGDYDEAIEYYQKALE T0532 379 :FIASNT 2wqhA 72 :LYPNNA T0532 386 :D 2wqhA 78 :E T0532 396 :ITEEAIAAFLE 2wqhA 79 :AWYNLGNAYYK T0532 413 :SGEKEADIE 2wqhA 90 :QGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 6 number of extra gaps= 0 total=4586 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_802318580.pdb -s /var/tmp/to_scwrl_802318580.seq -o /var/tmp/from_scwrl_802318580.pdb > /var/tmp/scwrl_802318580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_802318580.pdb Number of alignments=394 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)K149 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 T0532 151 :NTQKEVMNFILSDLE 2wqhA 7 :NSAEAWYNLGNAYYK T0532 166 :TAYELFSTAKDFD 2wqhA 27 :EAIEYYQKALELY T0532 184 :GGSISKWKKATT 2wqhA 40 :PNNAEAWYNLGN T0532 201 :VLMHLSKKES 2wqhA 52 :AYYKQGDYDE T0532 216 :VKERFARIVA 2wqhA 62 :AIEYYQKALE T0532 229 :LMESNEDNL 2wqhA 72 :LYPNNAEAW Number of specific fragments extracted= 6 number of extra gaps= 0 total=4592 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1187990837.pdb -s /var/tmp/to_scwrl_1187990837.seq -o /var/tmp/from_scwrl_1187990837.pdb > /var/tmp/scwrl_1187990837.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1187990837.pdb Number of alignments=395 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELYPNNAEAW T0532 398 :EEAIAAFLE 2wqhA 47 :YNLGNAYYK T0532 413 :SGEKEADIE 2wqhA 56 :QGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL Number of specific fragments extracted= 5 number of extra gaps= 0 total=4597 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1172949200.pdb -s /var/tmp/to_scwrl_1172949200.seq -o /var/tmp/from_scwrl_1172949200.pdb > /var/tmp/scwrl_1172949200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172949200.pdb Number of alignments=396 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 380 :IASN 2wqhA 39 :YPNN T0532 400 :AIAAFLETPAIQLSGEKEADIE 2wqhA 43 :AEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 65 :YYQKALELY T0532 434 :QHPYDVYYDY 2wqhA 74 :PNNAEAWYNL Number of specific fragments extracted= 5 number of extra gaps= 0 total=4602 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_531399233.pdb -s /var/tmp/to_scwrl_531399233.seq -o /var/tmp/from_scwrl_531399233.pdb > /var/tmp/scwrl_531399233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_531399233.pdb Number of alignments=397 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 81 :VFGRSGFG 2wqhA 7 :NSAEAWYN T0532 143 :LGLVRPKYNTQ 2wqhA 15 :LGNAYYKQGDY T0532 211 :DADLKVKERFAR 2wqhA 26 :DEAIEYYQKALE T0532 232 :SNEDNLQMKY 2wqhA 38 :LYPNNAEAWY T0532 351 :ILAEAAVRGWISGDASAYYKKAIRA 2wqhA 48 :NLGNAYYKQGDYDEAIEYYQKALEL T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIE 2wqhA 73 :YPNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 7 number of extra gaps= 0 total=4609 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1323773116.pdb -s /var/tmp/to_scwrl_1323773116.seq -o /var/tmp/from_scwrl_1323773116.pdb > /var/tmp/scwrl_1323773116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323773116.pdb Number of alignments=398 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)G141 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)G184 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 185 :GSISKWKKATTA 2wqhA 7 :NSAEAWYNLGNA T0532 208 :KESDADLKVKERFAR 2wqhA 19 :YYKQGDYDEAIEYYQ T0532 228 :SLMESNEDNLQMKYADKA 2wqhA 34 :KALELYPNNAEAWYNLGN T0532 355 :AAVRGWISGDASAYYKKAIRAH 2wqhA 52 :AYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 74 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 6 number of extra gaps= 0 total=4615 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_146374292.pdb -s /var/tmp/to_scwrl_146374292.seq -o /var/tmp/from_scwrl_146374292.pdb > /var/tmp/scwrl_146374292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_146374292.pdb Number of alignments=399 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 81 :VFGRSGFG 2wqhA 7 :NSAEAWYN T0532 143 :LGLVRPKY 2wqhA 15 :LGNAYYKQ T0532 162 :SDLETAYELFSTAKDF 2wqhA 23 :GDYDEAIEYYQKALEL T0532 183 :LGGSISKWKKATTAF 2wqhA 39 :YPNNAEAWYNLGNAY T0532 209 :ESDADLKVKERFAR 2wqhA 54 :YKQGDYDEAIEYYQ T0532 228 :SLMESNEDN 2wqhA 68 :KALELYPNN T0532 346 :AEQNFILAEAAVRGWISGDASAYY 2wqhA 77 :AEAWYNLGNAYYKQGDYDEAIEYY T0532 426 :QRYLASF 2wqhA 101 :QKALELY Number of specific fragments extracted= 8 number of extra gaps= 0 total=4623 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_40317287.pdb -s /var/tmp/to_scwrl_40317287.seq -o /var/tmp/from_scwrl_40317287.pdb > /var/tmp/scwrl_40317287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_40317287.pdb Number of alignments=400 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 81 :VF 2wqhA 7 :NS T0532 106 :DNVNAYDGLAHF 2wqhA 9 :AEAWYNLGNAYY T0532 139 :LQGE 2wqhA 21 :KQGD T0532 157 :MNFILSDLETAYELFS 2wqhA 25 :YDEAIEYYQKALELYP T0532 185 :GSISKWKKATTAFQ 2wqhA 41 :NNAEAWYNLGNAYY T0532 206 :SKKESDADLKVKERFARI 2wqhA 55 :KQGDYDEAIEYYQKALEL T0532 227 :GS 2wqhA 73 :YP T0532 344 :GYAEQNFILAEAAVRGWISGDASAYY 2wqhA 75 :NNAEAWYNLGNAYYKQGDYDEAIEYY T0532 426 :QRYLASF 2wqhA 101 :QKALELY Number of specific fragments extracted= 9 number of extra gaps= 0 total=4632 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_301452841.pdb -s /var/tmp/to_scwrl_301452841.seq -o /var/tmp/from_scwrl_301452841.pdb > /var/tmp/scwrl_301452841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_301452841.pdb Number of alignments=401 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)G141 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)G184 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 185 :GSISKWKKATTAFQ 2wqhA 7 :NSAEAWYNLGNAYY T0532 204 :HLS 2wqhA 21 :KQG T0532 209 :ESDADLKVKERFARI 2wqhA 24 :DYDEAIEYYQKALEL T0532 233 :N 2wqhA 39 :Y T0532 308 :PS 2wqhA 40 :PN T0532 345 :YAEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 42 :NAEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 74 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 8 number of extra gaps= 0 total=4640 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2061281887.pdb -s /var/tmp/to_scwrl_2061281887.seq -o /var/tmp/from_scwrl_2061281887.pdb > /var/tmp/scwrl_2061281887.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2061281887.pdb Number of alignments=402 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 81 :VF 2wqhA 7 :NS T0532 106 :DNVNAYDGLAHFI 2wqhA 9 :AEAWYNLGNAYYK T0532 140 :QGE 2wqhA 22 :QGD T0532 157 :MNFILSDLETAYELF 2wqhA 25 :YDEAIEYYQKALELY T0532 184 :GGSISKWKKATTAFQ 2wqhA 40 :PNNAEAWYNLGNAYY T0532 206 :SKKESDADLKVKERFARI 2wqhA 55 :KQGDYDEAIEYYQKALEL T0532 227 :GS 2wqhA 73 :YP T0532 344 :GYAEQNFILAEAAVRGWISGDASAYY 2wqhA 75 :NNAEAWYNLGNAYYKQGDYDEAIEYY T0532 426 :QRYLASF 2wqhA 101 :QKALELY Number of specific fragments extracted= 9 number of extra gaps= 0 total=4649 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_709741940.pdb -s /var/tmp/to_scwrl_709741940.seq -o /var/tmp/from_scwrl_709741940.pdb > /var/tmp/scwrl_709741940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_709741940.pdb Number of alignments=403 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 81 :VFGRSGFG 2wqhA 7 :NSAEAWYN T0532 112 :DGLAHF 2wqhA 15 :LGNAYY T0532 137 :E 2wqhA 21 :K T0532 140 :QG 2wqhA 22 :QG T0532 163 :DLETAYELFSTA 2wqhA 24 :DYDEAIEYYQKA T0532 183 :LGGSISKWKKATTAFQ 2wqhA 39 :YPNNAEAWYNLGNAYY T0532 206 :SKKESDADLKVKERFAR 2wqhA 55 :KQGDYDEAIEYYQKALE T0532 226 :SGS 2wqhA 72 :LYP T0532 344 :GYAEQNFILAEAAVRGWISGDASAYY 2wqhA 75 :NNAEAWYNLGNAYYKQGDYDEAIEYY T0532 426 :QRYLASF 2wqhA 101 :QKALELY Number of specific fragments extracted= 10 number of extra gaps= 0 total=4659 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_910620252.pdb -s /var/tmp/to_scwrl_910620252.seq -o /var/tmp/from_scwrl_910620252.pdb > /var/tmp/scwrl_910620252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_910620252.pdb Number of alignments=404 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)E75 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)D76 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 77 :YQYNVFGRSGFGGY 2wqhA 7 :NSAEAWYNLGNAYY T0532 137 :E 2wqhA 21 :K T0532 140 :QGEL 2wqhA 22 :QGDY T0532 165 :ETAYELFSTA 2wqhA 26 :DEAIEYYQKA T0532 177 :F 2wqhA 38 :L T0532 183 :LGGSISKWKKATTAF 2wqhA 39 :YPNNAEAWYNLGNAY T0532 205 :LSKKESDADLKVKERFAR 2wqhA 54 :YKQGDYDEAIEYYQKALE T0532 232 :SNEDNLQMKYADKA 2wqhA 72 :LYPNNAEAWYNLGN T0532 355 :AAVRGWISGDASAY 2wqhA 86 :AYYKQGDYDEAIEY T0532 425 :TQRYLASF 2wqhA 100 :YQKALELY Number of specific fragments extracted= 10 number of extra gaps= 0 total=4669 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_417125425.pdb -s /var/tmp/to_scwrl_417125425.seq -o /var/tmp/from_scwrl_417125425.pdb > /var/tmp/scwrl_417125425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_417125425.pdb Number of alignments=405 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 151 :NTQKEVMNF 2wqhA 7 :NSAEAWYNL T0532 167 :AYELFSTA 2wqhA 16 :GNAYYKQG T0532 209 :ESDADLKVKERFARI 2wqhA 24 :DYDEAIEYYQKALEL T0532 227 :G 2wqhA 39 :Y T0532 245 :ANT 2wqhA 40 :PNN T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 43 :AEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIE 2wqhA 73 :YPNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 8 number of extra gaps= 0 total=4677 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_594934697.pdb -s /var/tmp/to_scwrl_594934697.seq -o /var/tmp/from_scwrl_594934697.pdb > /var/tmp/scwrl_594934697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_594934697.pdb Number of alignments=406 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)K149 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 151 :NTQKEVMN 2wqhA 7 :NSAEAWYN T0532 166 :TAYELFSTA 2wqhA 15 :LGNAYYKQG T0532 209 :ESDADLKVKERFARI 2wqhA 24 :DYDEAIEYYQKALEL T0532 226 :SGS 2wqhA 39 :YPN T0532 289 :A 2wqhA 42 :N T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 43 :AEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 390 :YHHGHPITEEAIAAF 2wqhA 73 :YPNNAEAWYNLGNAY T0532 411 :QLSGEKEADIE 2wqhA 88 :YKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 9 number of extra gaps= 0 total=4686 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_382033498.pdb -s /var/tmp/to_scwrl_382033498.seq -o /var/tmp/from_scwrl_382033498.pdb > /var/tmp/scwrl_382033498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_382033498.pdb Number of alignments=407 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 81 :VFGRSGFGGY 2wqhA 7 :NSAEAWYNLG T0532 114 :LAHF 2wqhA 17 :NAYY T0532 137 :E 2wqhA 21 :K T0532 140 :QGE 2wqhA 22 :QGD T0532 157 :MNFILSDLETAYELFS 2wqhA 25 :YDEAIEYYQKALELYP T0532 185 :GSISKWKKATTAFQL 2wqhA 41 :NNAEAWYNLGNAYYK T0532 205 :L 2wqhA 56 :Q T0532 208 :KESDADLKVKERFARI 2wqhA 57 :GDYDEAIEYYQKALEL T0532 227 :GS 2wqhA 73 :YP T0532 344 :GYAEQNFILAEAAVRGWISGDASAYY 2wqhA 75 :NNAEAWYNLGNAYYKQGDYDEAIEYY T0532 426 :QRYLASF 2wqhA 101 :QKALELY Number of specific fragments extracted= 11 number of extra gaps= 0 total=4697 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_790878344.pdb -s /var/tmp/to_scwrl_790878344.seq -o /var/tmp/from_scwrl_790878344.pdb > /var/tmp/scwrl_790878344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_790878344.pdb Number of alignments=408 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)Y79 because first residue in template chain is (2wqhA)P5 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 81 :VFGRSGFG 2wqhA 7 :NSAEAWYN T0532 112 :DGLAHFI 2wqhA 15 :LGNAYYK T0532 140 :QGE 2wqhA 22 :QGD T0532 157 :MNFILSDLETAYELFS 2wqhA 25 :YDEAIEYYQKALELYP T0532 185 :GSISKWKKATTAFQ 2wqhA 41 :NNAEAWYNLGNAYY T0532 206 :SKKESDADLKVKERFARI 2wqhA 55 :KQGDYDEAIEYYQKALEL T0532 227 :GS 2wqhA 73 :YP T0532 289 :A 2wqhA 75 :N T0532 345 :YAEQNFILAEAAVRGWISGDASAYY 2wqhA 76 :NAEAWYNLGNAYYKQGDYDEAIEYY T0532 426 :QRYLASF 2wqhA 101 :QKALELY Number of specific fragments extracted= 10 number of extra gaps= 0 total=4707 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1268940341.pdb -s /var/tmp/to_scwrl_1268940341.seq -o /var/tmp/from_scwrl_1268940341.pdb > /var/tmp/scwrl_1268940341.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268940341.pdb Number of alignments=409 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 357 :VRGWISGDASAYYKKAIRA 2wqhA 20 :YKQGDYDEAIEYYQKALEL T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIE 2wqhA 39 :YPNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4711 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1673830905.pdb -s /var/tmp/to_scwrl_1673830905.seq -o /var/tmp/from_scwrl_1673830905.pdb > /var/tmp/scwrl_1673830905.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1673830905.pdb Number of alignments=410 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 40 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4715 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_279920675.pdb -s /var/tmp/to_scwrl_279920675.seq -o /var/tmp/from_scwrl_279920675.pdb > /var/tmp/scwrl_279920675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279920675.pdb Number of alignments=411 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 345 :YAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 2wqhA 8 :SAEAWYNLGNAYYKQGDYDEAIEYYQKALELYP T0532 398 :EEAIAAFLETPAIQLSGEKEADIE 2wqhA 41 :NNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4719 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2027578106.pdb -s /var/tmp/to_scwrl_2027578106.seq -o /var/tmp/from_scwrl_2027578106.pdb > /var/tmp/scwrl_2027578106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2027578106.pdb Number of alignments=412 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 40 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4723 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_852453604.pdb -s /var/tmp/to_scwrl_852453604.seq -o /var/tmp/from_scwrl_852453604.pdb > /var/tmp/scwrl_852453604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_852453604.pdb Number of alignments=413 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 40 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4727 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_786336122.pdb -s /var/tmp/to_scwrl_786336122.seq -o /var/tmp/from_scwrl_786336122.pdb > /var/tmp/scwrl_786336122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_786336122.pdb Number of alignments=414 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 40 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4731 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1056889200.pdb -s /var/tmp/to_scwrl_1056889200.seq -o /var/tmp/from_scwrl_1056889200.pdb > /var/tmp/scwrl_1056889200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1056889200.pdb Number of alignments=415 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 40 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4735 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_233062687.pdb -s /var/tmp/to_scwrl_233062687.seq -o /var/tmp/from_scwrl_233062687.pdb > /var/tmp/scwrl_233062687.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233062687.pdb Number of alignments=416 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 351 :ILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 48 :NLGNAYYKQGDYDEAIEYYQKALELY T0532 381 :A 2wqhA 74 :P T0532 398 :EEAIAAFLETPAIQLSGEKEADIE 2wqhA 75 :NNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 4 number of extra gaps= 0 total=4739 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_640886194.pdb -s /var/tmp/to_scwrl_640886194.seq -o /var/tmp/from_scwrl_640886194.pdb > /var/tmp/scwrl_640886194.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_640886194.pdb Number of alignments=417 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 360 :WISGDASAYYKKAIRA 2wqhA 23 :GDYDEAIEYYQKALEL T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIE 2wqhA 39 :YPNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4743 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1850036352.pdb -s /var/tmp/to_scwrl_1850036352.seq -o /var/tmp/from_scwrl_1850036352.pdb > /var/tmp/scwrl_1850036352.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1850036352.pdb Number of alignments=418 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set Warning: unaligning (T0532)G184 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2wqhA)G6 Warning: unaligning (T0532)M433 because last residue in template chain is (2wqhA)P108 T0532 185 :GSISKWKKATTAFQL 2wqhA 7 :NSAEAWYNLGNAYYK T0532 207 :KKESDADLKVKERFARI 2wqhA 22 :QGDYDEAIEYYQKALEL T0532 226 :SGS 2wqhA 39 :YPN T0532 289 :A 2wqhA 42 :N T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRA 2wqhA 43 :AEAWYNLGNAYYKQGDYDEAIEYYQKALEL T0532 390 :YHHGHPITEEAIAAF 2wqhA 73 :YPNNAEAWYNLGNAY T0532 411 :QLSGEKEADIE 2wqhA 88 :YKQGDYDEAIE T0532 424 :LTQRYLASF 2wqhA 99 :YYQKALELY Number of specific fragments extracted= 8 number of extra gaps= 1 total=4751 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_533489316.pdb -s /var/tmp/to_scwrl_533489316.seq -o /var/tmp/from_scwrl_533489316.pdb > /var/tmp/scwrl_533489316.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_533489316.pdb Number of alignments=419 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 40 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4755 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1337678852.pdb -s /var/tmp/to_scwrl_1337678852.seq -o /var/tmp/from_scwrl_1337678852.pdb > /var/tmp/scwrl_1337678852.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1337678852.pdb Number of alignments=420 # 2wqhA read from all-align.a2m # found chain 2wqhA in template set T0532 346 :AEQNFILAEAAVRGWISGDASAYYKKAIRAH 2wqhA 9 :AEAWYNLGNAYYKQGDYDEAIEYYQKALELY T0532 397 :TEEAIAAFLETPAIQLSGEKEADIE 2wqhA 40 :PNNAEAWYNLGNAYYKQGDYDEAIE T0532 424 :LTQRYLASFM 2wqhA 65 :YYQKALELYP T0532 435 :HPYDVYYDY 2wqhA 75 :NNAEAWYNL Number of specific fragments extracted= 4 number of extra gaps= 0 total=4759 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_871602212.pdb -s /var/tmp/to_scwrl_871602212.seq -o /var/tmp/from_scwrl_871602212.pdb > /var/tmp/scwrl_871602212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871602212.pdb Number of alignments=421 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)S51 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)S52 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 1 :MKRINKYISLLLATALLAS 3cghA 45 :GSAMNNLAGCVVSPDVNTA T0532 20 :CDKFDEINTDPDATTKVTSSL 3cghA 67 :DCLLGGPLGGYFADSNAGFTE T0532 41 :LATGLLLDIT 3cghA 90 :SNFNPKDDWS T0532 53 :SASKSFIYDE 3cghA 102 :FLKSDKIIPT T0532 89 :GYTTLINAQKMVE 3cghA 112 :LYSNLTQVKLVSQ T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 125 :NTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQ T0532 179 :GDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3cghA 201 :ADYIYKGDVKKWIRFANSLKLRLAIRIAYANPV T0532 215 :KVKERFARIVASG 3cghA 234 :KAQQMAEEAVNPA T0532 228 :SLMESNEDNLQMK 3cghA 249 :GVIESNADNATWN T0532 241 :YADKANTVYPFHNTNTK 3cghA 263 :FETSQNPIYVATRYNQV T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 303 :Y 3cghA 336 :I T0532 317 :KAYATEQYSGFNARYTDYP 3cghA 337 :PELKTTGHKYSGVNIAPTS T0532 339 :PVVRLGYAEQNFILAEAAVR 3cghA 356 :PLYWMNAAEVAFLRAEGQAV T0532 359 :GW 3cghA 377 :NF T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPD 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVE T0532 387 :EEVYHHGH 3cghA 427 :YQNALSNI T0532 407 :TPAIQLSGEKEADIEKILTQRYLA 3cghA 435 :TIKWNDSADKEEKQERIIVQKWIA T0532 432 :FMQHPYDVYYDYRRTGYPVLPINPATNRNTMN 3cghA 459 :NWQLGNEAWADFRRTGYPKLIPVKENKSGGVV T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3cghA 493 :EKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWAS Number of specific fragments extracted= 23 number of extra gaps= 4 total=4782 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1595101303.pdb -s /var/tmp/to_scwrl_1595101303.seq -o /var/tmp/from_scwrl_1595101303.pdb > /var/tmp/scwrl_1595101303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595101303.pdb Number of alignments=422 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)S9 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L10 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 1 :MKRI 3cghA 31 :PYEA T0532 5 :NKYI 3cghA 36 :DLSA T0532 11 :LLATALLASCD 3cghA 42 :YALGSAMNNLA T0532 40 :LLATGLLLDITSSSAS 3cghA 64 :QFTDCLLGGPLGGYFA T0532 66 :KQMAWGESMEDYQYN 3cghA 85 :FTETISNFNPKDDWS T0532 89 :GYTTLINAQKMVE 3cghA 112 :LYSNLTQVKLVSQ T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 125 :NTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQ T0532 179 :GDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3cghA 201 :ADYIYKGDVKKWIRFANSLKLRLAIRIAYANPV T0532 215 :KVKERFARIVASG 3cghA 234 :KAQQMAEEAVNPA T0532 228 :SLMESNEDNLQMKYADKAN 3cghA 249 :GVIESNADNATWNYFETSQ T0532 247 :TVYPFHNTNTK 3cghA 269 :PIYVATRYNQV T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 323 :QYSGFNARYTDYP 3cghA 343 :GHKYSGVNIAPTS T0532 339 :PVVRLGYAEQNFILAEAAVR 3cghA 356 :PLYWMNAAEVAFLRAEGQAV T0532 359 :GW 3cghA 377 :NF T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 392 :HGHPITEEAIAAFL 3cghA 421 :PAGTNTYQNALSNI T0532 407 :TPAIQLSGEKEADIEKILTQRYLA 3cghA 435 :TIKWNDSADKEEKQERIIVQKWIA T0532 432 :FMQHPYDVYYDYRRTGYPVLPINPATNRNTMN 3cghA 459 :NWQLGNEAWADFRRTGYPKLIPVKENKSGGVV T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3cghA 493 :EKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWAS Number of specific fragments extracted= 23 number of extra gaps= 5 total=4805 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_733932981.pdb -s /var/tmp/to_scwrl_733932981.seq -o /var/tmp/from_scwrl_733932981.pdb > /var/tmp/scwrl_733932981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733932981.pdb Number of alignments=423 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 88 :GGYTTLINAQKMVE 3cghA 111 :TLYSNLTQVKLVSQ T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 125 :NTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQ T0532 179 :GDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3cghA 201 :ADYIYKGDVKKWIRFANSLKLRLAIRIAYANPV T0532 215 :KVKERFARIVASG 3cghA 234 :KAQQMAEEAVNPA T0532 228 :SLMESNEDNLQMK 3cghA 249 :GVIESNADNATWN T0532 241 :YADKANTVYPFHNTNTK 3cghA 263 :FETSQNPIYVATRYNQV T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 303 :Y 3cghA 336 :I T0532 317 :KAYATEQYSGFNARYTDYP 3cghA 337 :PELKTTGHKYSGVNIAPTS T0532 339 :PVVRLGYAEQNFILAEAAVR 3cghA 356 :PLYWMNAAEVAFLRAEGQAV T0532 359 :GW 3cghA 377 :NF T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPD 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVE T0532 387 :EEVYHHGH 3cghA 427 :YQNALSNI T0532 407 :TPAIQLSGEKEADIEKILTQRYLA 3cghA 435 :TIKWNDSADKEEKQERIIVQKWIA T0532 432 :FMQHPYDVYYDYRRTGYPVLPINPATNRNTMN 3cghA 459 :NWQLGNEAWADFRRTGYPKLIPVKENKSGGVV T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 493 :EKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 19 number of extra gaps= 3 total=4824 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_298444516.pdb -s /var/tmp/to_scwrl_298444516.seq -o /var/tmp/from_scwrl_298444516.pdb > /var/tmp/scwrl_298444516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298444516.pdb Number of alignments=424 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 24 :DEINT 3cghA 35 :PDLSA T0532 31 :D 3cghA 42 :Y T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELL 3cghA 47 :AMNNLAGCVVSPDVNTAQFTDCLLGGPLGGYFA T0532 66 :KQMAW 3cghA 80 :DSNAG T0532 79 :YNVFGRSGF 3cghA 85 :FTETISNFN T0532 89 :GYTTLINAQKMVE 3cghA 112 :LYSNLTQVKLVSQ T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 125 :NTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQ T0532 179 :GDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3cghA 201 :ADYIYKGDVKKWIRFANSLKLRLAIRIAYANPV T0532 215 :KVKERFARIVASG 3cghA 234 :KAQQMAEEAVNPA T0532 228 :SLMESNEDNLQMKYADKAN 3cghA 249 :GVIESNADNATWNYFETSQ T0532 247 :TVYPFHNTNTK 3cghA 269 :PIYVATRYNQV T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 323 :QYSGFNARYTDYP 3cghA 343 :GHKYSGVNIAPTS T0532 339 :PVVRLGYAEQNFILAEAAVR 3cghA 356 :PLYWMNAAEVAFLRAEGQAV T0532 359 :GW 3cghA 377 :NF T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 392 :HGHPITEEAIAAFL 3cghA 421 :PAGTNTYQNALSNI T0532 407 :TPAIQLSGEKEADIEKILTQRYLA 3cghA 435 :TIKWNDSADKEEKQERIIVQKWIA T0532 432 :FMQHPYDVYYDYRRTGYPVLPINPATNRNTMN 3cghA 459 :NWQLGNEAWADFRRTGYPKLIPVKENKSGGVV T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 493 :EKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 23 number of extra gaps= 5 total=4847 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_249936236.pdb -s /var/tmp/to_scwrl_249936236.seq -o /var/tmp/from_scwrl_249936236.pdb > /var/tmp/scwrl_249936236.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249936236.pdb Number of alignments=425 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAW 3cghA 45 :GSAMNNLAGCVVSPDVNTAQFTDCLLGGPLGGYFA T0532 71 :GESMEDYQY 3cghA 91 :NFNPKDDWS T0532 82 :FGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 102 :FLKSDKIIPTLYSNLTQVKLVSQNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3cghA 199 :PTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAV T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFH 3cghA 244 :NPANGGVIESNADNATWNYFETSQNPIYVA T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 286 :GVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNF T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3cghA 381 :GGTAESFYNQGIRLSFEQWGADGVEDYLKDDVNKPTA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 427 :YQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWAS Number of specific fragments extracted= 15 number of extra gaps= 4 total=4862 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1921923818.pdb -s /var/tmp/to_scwrl_1921923818.seq -o /var/tmp/from_scwrl_1921923818.pdb > /var/tmp/scwrl_1921923818.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921923818.pdb Number of alignments=426 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAW 3cghA 45 :GSAMNNLAGCVVSPDVNTAQFTDCLLGGPLGGYFA T0532 71 :GESMEDYQY 3cghA 91 :NFNPKDDWS T0532 82 :FGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 102 :FLKSDKIIPTLYSNLTQVKLVSQNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3cghA 199 :PTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAV T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFH 3cghA 244 :NPANGGVIESNADNATWNYFETSQNPIYVA T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 286 :GVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNF T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3cghA 381 :GGTAESFYNQGIRLSFEQWGADGVEDYLKDDVNKPTA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 427 :YQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWAS Number of specific fragments extracted= 15 number of extra gaps= 4 total=4877 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1471393716.pdb -s /var/tmp/to_scwrl_1471393716.seq -o /var/tmp/from_scwrl_1471393716.pdb > /var/tmp/scwrl_1471393716.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1471393716.pdb Number of alignments=427 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAW 3cghA 45 :GSAMNNLAGCVVSPDVNTAQFTDCLLGGPLGGYFA T0532 71 :GESMEDYQY 3cghA 91 :NFNPKDDWS T0532 82 :FGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 102 :FLKSDKIIPTLYSNLTQVKLVSQNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3cghA 199 :PTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAV T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFH 3cghA 244 :NPANGGVIESNADNATWNYFETSQNPIYVA T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 286 :GVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNF T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3cghA 381 :GGTAESFYNQGIRLSFEQWGADGVEDYLKDDVNKPTA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 427 :YQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 15 number of extra gaps= 4 total=4892 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_781335470.pdb -s /var/tmp/to_scwrl_781335470.seq -o /var/tmp/from_scwrl_781335470.pdb > /var/tmp/scwrl_781335470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_781335470.pdb Number of alignments=428 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)N80 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)D301 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A302 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAW 3cghA 45 :GSAMNNLAGCVVSPDVNTAQFTDCLLGGPLGGYFA T0532 71 :GESMEDYQY 3cghA 91 :NFNPKDDWS T0532 82 :FGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 102 :FLKSDKIIPTLYSNLTQVKLVSQNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3cghA 199 :PTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAV T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFH 3cghA 244 :NPANGGVIESNADNATWNYFETSQNPIYVA T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3cghA 286 :GVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAGQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNF T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3cghA 381 :GGTAESFYNQGIRLSFEQWGADGVEDYLKDDVNKPTA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 427 :YQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 15 number of extra gaps= 4 total=4907 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1098213288.pdb -s /var/tmp/to_scwrl_1098213288.seq -o /var/tmp/from_scwrl_1098213288.pdb > /var/tmp/scwrl_1098213288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1098213288.pdb Number of alignments=429 # 3cghA read from all-align.a2m # found chain 3cghA in template set T0532 413 :SGEKEADIEKILTQRYLASF 3cghA 441 :SADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYP 3cghA 461 :QLGNEAWADFRRTGYP T0532 450 :VLPINPATNRNTMNDRLPMRWM 3cghA 478 :LIPVKENKSGGVVDSEKGARRM T0532 472 :YPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 501 :YPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 4 number of extra gaps= 0 total=4911 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1617768008.pdb -s /var/tmp/to_scwrl_1617768008.seq -o /var/tmp/from_scwrl_1617768008.pdb > /var/tmp/scwrl_1617768008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1617768008.pdb Number of alignments=430 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 98 :KMVESVSDDNV 3cghA 120 :KLVSQNTNDPV T0532 111 :YDGLAHFIKAYKIFYMSMEMGD 3cghA 131 :PYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEA 3cghA 155 :YSQI T0532 141 :GELGLVRPK 3cghA 159 :GANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKD 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKER 3cghA 199 :PTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEE T0532 221 :ARIVASGSLMESNEDNLQMKYADKA 3cghA 242 :AVNPANGGVIESNADNATWNYFETS T0532 246 :NTVYPFHNTN 3cghA 268 :NPIYVATRYN T0532 256 :TKHAGYAMLST 3cghA 282 :SDHGGVPCLTG T0532 270 :DKFKATGDIRMFYYA 3cghA 293 :GDTHAAADIICYMNG T0532 286 :PAKAKLNEGVTADSW 3cghA 308 :YKDNRREKFFTKSEW T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQIEK 3cghA 336 :IPELKT T0532 320 :ATEQYSGFNARYT 3cghA 342 :TGHKYSGVNIAPT T0532 338 :EPVVRLGYAEQNFILAE 3cghA 355 :SPLYWMNAAEVAFLRAE T0532 355 :AAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 374 :AVFNFSMGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 392 :HGHPITEEAIAAFLE 3cghA 418 :YTDPAGTNTYQNALS T0532 407 :TPAIQLSGEKEADIEKILTQRYLASF 3cghA 435 :TIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVL 3cghA 461 :QLGNEAWADFRRTGYPKL T0532 452 :PINPATNRNTMNDRL 3cghA 480 :PVKENKSGGVVDSEK T0532 467 :PMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 496 :ARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 21 number of extra gaps= 3 total=4932 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_821652757.pdb -s /var/tmp/to_scwrl_821652757.seq -o /var/tmp/from_scwrl_821652757.pdb > /var/tmp/scwrl_821652757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_821652757.pdb Number of alignments=431 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 239 :MKYADKANTVYPFHNTN 3cghA 274 :TRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 5 total=4957 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1399666129.pdb -s /var/tmp/to_scwrl_1399666129.seq -o /var/tmp/from_scwrl_1399666129.pdb > /var/tmp/scwrl_1399666129.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1399666129.pdb Number of alignments=432 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 271 :YVATRYNQVQTSDHGGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 24 number of extra gaps= 5 total=4981 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1531566248.pdb -s /var/tmp/to_scwrl_1531566248.seq -o /var/tmp/from_scwrl_1531566248.pdb > /var/tmp/scwrl_1531566248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531566248.pdb Number of alignments=433 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :L 3cghA 42 :Y T0532 42 :ATGLLLDIT 3cghA 44 :LGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 26 number of extra gaps= 5 total=5007 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1531394696.pdb -s /var/tmp/to_scwrl_1531394696.seq -o /var/tmp/from_scwrl_1531394696.pdb > /var/tmp/scwrl_1531394696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1531394696.pdb Number of alignments=434 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTNT 3cghA 273 :ATRYNQVQTSDHGGVPCLT T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 292 :GGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 339 :LKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 24 number of extra gaps= 5 total=5031 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_162802735.pdb -s /var/tmp/to_scwrl_162802735.seq -o /var/tmp/from_scwrl_162802735.pdb > /var/tmp/scwrl_162802735.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_162802735.pdb Number of alignments=435 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 242 :ADKANTVYPFHN 3cghA 277 :NQVQTSDHGGVP T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 5 total=5056 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1948691674.pdb -s /var/tmp/to_scwrl_1948691674.seq -o /var/tmp/from_scwrl_1948691674.pdb > /var/tmp/scwrl_1948691674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1948691674.pdb Number of alignments=436 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 273 :ATRYNQVQTSDHGGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 24 number of extra gaps= 5 total=5080 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2126329393.pdb -s /var/tmp/to_scwrl_2126329393.seq -o /var/tmp/from_scwrl_2126329393.pdb > /var/tmp/scwrl_2126329393.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2126329393.pdb Number of alignments=437 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 5 total=5105 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_544836233.pdb -s /var/tmp/to_scwrl_544836233.seq -o /var/tmp/from_scwrl_544836233.pdb > /var/tmp/scwrl_544836233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_544836233.pdb Number of alignments=438 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHN 3cghA 273 :ATRYNQVQTSDHGGVP T0532 256 :TKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 289 :CLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQI 3cghA 336 :IPEL T0532 318 :AYATEQYSGFN 3cghA 340 :KTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 5 total=5130 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_592086371.pdb -s /var/tmp/to_scwrl_592086371.seq -o /var/tmp/from_scwrl_592086371.pdb > /var/tmp/scwrl_592086371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_592086371.pdb Number of alignments=439 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 243 :DKANTVYPFHNTN 3cghA 278 :QVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQIEK 3cghA 336 :IPELKT T0532 320 :ATEQYSGFN 3cghA 342 :TGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 5 total=5155 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1247786088.pdb -s /var/tmp/to_scwrl_1247786088.seq -o /var/tmp/from_scwrl_1247786088.pdb > /var/tmp/scwrl_1247786088.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1247786088.pdb Number of alignments=440 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 83 :GRSGFGG 3cghA 105 :SDKIIPT T0532 90 :YTTLINAQKMVESV 3cghA 113 :YSNLTQVKLVSQNT T0532 109 :NAYDGLAHFIKAYKIFYMSMEMGD 3cghA 129 :PVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVASG 3cghA 235 :AQQMAEEAVNPA T0532 228 :SLMESNEDNL 3cghA 249 :GVIESNADNA T0532 246 :NTVYPFHNTNTK 3cghA 277 :NQVQTSDHGGVP T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKP 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTK T0532 289 :AKLNE 3cghA 320 :SEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQIEKAY 3cghA 336 :IPELKTTG T0532 322 :EQYSGFN 3cghA 344 :HKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPD 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVE T0532 388 :EVYHHGHPITEEAIAAF 3cghA 406 :DYLKDDVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 4 total=5180 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_71183492.pdb -s /var/tmp/to_scwrl_71183492.seq -o /var/tmp/from_scwrl_71183492.pdb > /var/tmp/scwrl_71183492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71183492.pdb Number of alignments=441 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 5 total=5205 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_872007046.pdb -s /var/tmp/to_scwrl_872007046.seq -o /var/tmp/from_scwrl_872007046.pdb > /var/tmp/scwrl_872007046.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_872007046.pdb Number of alignments=442 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :ILQ 3cghA 535 :SKK Number of specific fragments extracted= 25 number of extra gaps= 5 total=5230 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1127880547.pdb -s /var/tmp/to_scwrl_1127880547.seq -o /var/tmp/from_scwrl_1127880547.pdb > /var/tmp/scwrl_1127880547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127880547.pdb Number of alignments=443 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 239 :MKYADKANTVYPFHNTN 3cghA 274 :TRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWI 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWW Number of specific fragments extracted= 24 number of extra gaps= 5 total=5254 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_923637096.pdb -s /var/tmp/to_scwrl_923637096.seq -o /var/tmp/from_scwrl_923637096.pdb > /var/tmp/scwrl_923637096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_923637096.pdb Number of alignments=444 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 271 :YVATRYNQVQTSDHGGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWI 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWW Number of specific fragments extracted= 23 number of extra gaps= 5 total=5277 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1658343168.pdb -s /var/tmp/to_scwrl_1658343168.seq -o /var/tmp/from_scwrl_1658343168.pdb > /var/tmp/scwrl_1658343168.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1658343168.pdb Number of alignments=445 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 24 number of extra gaps= 5 total=5301 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_37286100.pdb -s /var/tmp/to_scwrl_37286100.seq -o /var/tmp/from_scwrl_37286100.pdb > /var/tmp/scwrl_37286100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37286100.pdb Number of alignments=446 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTNT 3cghA 273 :ATRYNQVQTSDHGGVPCLT T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 292 :GGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 339 :LKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 22 number of extra gaps= 5 total=5323 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1156699783.pdb -s /var/tmp/to_scwrl_1156699783.seq -o /var/tmp/from_scwrl_1156699783.pdb > /var/tmp/scwrl_1156699783.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156699783.pdb Number of alignments=447 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 242 :ADKANTVYPFHN 3cghA 277 :NQVQTSDHGGVP T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 24 number of extra gaps= 5 total=5347 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_151745715.pdb -s /var/tmp/to_scwrl_151745715.seq -o /var/tmp/from_scwrl_151745715.pdb > /var/tmp/scwrl_151745715.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_151745715.pdb Number of alignments=448 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 273 :ATRYNQVQTSDHGGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWAS Number of specific fragments extracted= 23 number of extra gaps= 5 total=5370 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1887322453.pdb -s /var/tmp/to_scwrl_1887322453.seq -o /var/tmp/from_scwrl_1887322453.pdb > /var/tmp/scwrl_1887322453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1887322453.pdb Number of alignments=449 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLD 3cghA 42 :YALGSAMNNLAGC T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWAS Number of specific fragments extracted= 24 number of extra gaps= 5 total=5394 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1690189099.pdb -s /var/tmp/to_scwrl_1690189099.seq -o /var/tmp/from_scwrl_1690189099.pdb > /var/tmp/scwrl_1690189099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1690189099.pdb Number of alignments=450 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 40 :LLATGLLLDIT 3cghA 42 :YALGSAMNNLA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHN 3cghA 273 :ATRYNQVQTSDHGGVP T0532 256 :TKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 289 :CLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQI 3cghA 336 :IPEL T0532 318 :AYATEQYSGFN 3cghA 340 :KTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 24 number of extra gaps= 5 total=5418 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1489424567.pdb -s /var/tmp/to_scwrl_1489424567.seq -o /var/tmp/from_scwrl_1489424567.pdb > /var/tmp/scwrl_1489424567.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1489424567.pdb Number of alignments=451 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 243 :DKANTVYPFHNTN 3cghA 278 :QVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQIEK 3cghA 336 :IPELKT T0532 320 :ATEQYSGFN 3cghA 342 :TGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 24 number of extra gaps= 5 total=5442 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_611441018.pdb -s /var/tmp/to_scwrl_611441018.seq -o /var/tmp/from_scwrl_611441018.pdb > /var/tmp/scwrl_611441018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_611441018.pdb Number of alignments=452 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 83 :GRSGFGG 3cghA 105 :SDKIIPT T0532 90 :YTTLINAQKMVESV 3cghA 113 :YSNLTQVKLVSQNT T0532 109 :NAYDGLAHFIKAYKIFYMSMEMGD 3cghA 129 :PVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVASG 3cghA 235 :AQQMAEEAVNPA T0532 228 :SLMESNEDNL 3cghA 249 :GVIESNADNA T0532 246 :NTVYPFHNTNTK 3cghA 277 :NQVQTSDHGGVP T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKP 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTK T0532 289 :AKLNE 3cghA 320 :SEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQIEKAY 3cghA 336 :IPELKTTG T0532 322 :EQYSGFN 3cghA 344 :HKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPD 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVE T0532 388 :EVYHHGHPITEEAIAAF 3cghA 406 :DYLKDDVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW T0532 504 :I 3cghA 535 :S Number of specific fragments extracted= 25 number of extra gaps= 4 total=5467 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1137806755.pdb -s /var/tmp/to_scwrl_1137806755.seq -o /var/tmp/from_scwrl_1137806755.pdb > /var/tmp/scwrl_1137806755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137806755.pdb Number of alignments=453 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWAS Number of specific fragments extracted= 24 number of extra gaps= 5 total=5491 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_75873901.pdb -s /var/tmp/to_scwrl_75873901.seq -o /var/tmp/from_scwrl_75873901.pdb > /var/tmp/scwrl_75873901.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_75873901.pdb Number of alignments=454 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)P311 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDIT 3cghA 42 :YALGSAMNNLAGCVV T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3cghA 61 :NTAQFTDCLLGGPLGGYFADSNAGFTETI T0532 80 :NVFGRSGFG 3cghA 91 :NFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEAL 3cghA 155 :YSQIG T0532 142 :ELGLVRPK 3cghA 160 :ANGEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3cghA 170 :SQEVTYNTFFDELNAAIATLNENSNEQL T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3cghA 202 :DYIYKGDVKKWIRFANSLKLRLAIRIAYANPVK T0532 216 :VKERFARIVA 3cghA 235 :AQQMAEEAVN T0532 226 :SGSLMESNEDNL 3cghA 247 :NGGVIESNADNA T0532 238 :QMKYADKANTVYPFHNTN 3cghA 273 :ATRYNQVQTSDHGGVPCL T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3cghA 291 :TGGDTHAAADIICYMNGYKDNRREKFFTKSEWAG T0532 301 :DAYIGTDPS 3cghA 325 :QDYVGMRRG T0532 312 :FEQ 3cghA 336 :IPE T0532 317 :KAYATEQYSGFN 3cghA 339 :LKTTGHKYSGVN T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3cghA 351 :IAPTSPLYWMNAAEVAFLRAEGQAVFN T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYH 3cghA 380 :MGGTAESFYNQGIRLSFEQWGADGVEDYLKD T0532 393 :GHPITEEAIAAF 3cghA 411 :DVNKPTAYTDPA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3cghA 433 :NITIKWNDSADKEEKQERIIVQKWIANW T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3cghA 461 :QLGNEAWADFRRTGYPKLIPVKENKSGGVVDS T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 495 :GARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 24 number of extra gaps= 5 total=5515 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_909885534.pdb -s /var/tmp/to_scwrl_909885534.seq -o /var/tmp/from_scwrl_909885534.pdb > /var/tmp/scwrl_909885534.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_909885534.pdb Number of alignments=455 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLLGGPL T0532 74 :MEDYQYNVFGRSGF 3cghA 86 :TETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 4 total=5533 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1387742992.pdb -s /var/tmp/to_scwrl_1387742992.seq -o /var/tmp/from_scwrl_1387742992.pdb > /var/tmp/scwrl_1387742992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1387742992.pdb Number of alignments=456 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 5 total=5551 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1997797720.pdb -s /var/tmp/to_scwrl_1997797720.seq -o /var/tmp/from_scwrl_1997797720.pdb > /var/tmp/scwrl_1997797720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1997797720.pdb Number of alignments=457 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMV 3cghA 107 :KIIPTLYSNL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 5 total=5569 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_233795603.pdb -s /var/tmp/to_scwrl_233795603.seq -o /var/tmp/from_scwrl_233795603.pdb > /var/tmp/scwrl_233795603.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_233795603.pdb Number of alignments=458 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S38 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VT 3cghA 38 :SA T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLL T0532 74 :MEDYQYNVFGRSGF 3cghA 86 :TETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 19 number of extra gaps= 5 total=5588 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_21594815.pdb -s /var/tmp/to_scwrl_21594815.seq -o /var/tmp/from_scwrl_21594815.pdb > /var/tmp/scwrl_21594815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21594815.pdb Number of alignments=459 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 5 total=5606 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_948527362.pdb -s /var/tmp/to_scwrl_948527362.seq -o /var/tmp/from_scwrl_948527362.pdb > /var/tmp/scwrl_948527362.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948527362.pdb Number of alignments=460 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 5 total=5624 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1851563612.pdb -s /var/tmp/to_scwrl_1851563612.seq -o /var/tmp/from_scwrl_1851563612.pdb > /var/tmp/scwrl_1851563612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851563612.pdb Number of alignments=461 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 5 total=5642 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_843247572.pdb -s /var/tmp/to_scwrl_843247572.seq -o /var/tmp/from_scwrl_843247572.pdb > /var/tmp/scwrl_843247572.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843247572.pdb Number of alignments=462 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELL 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 4 total=5660 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_200709844.pdb -s /var/tmp/to_scwrl_200709844.seq -o /var/tmp/from_scwrl_200709844.pdb > /var/tmp/scwrl_200709844.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_200709844.pdb Number of alignments=463 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLLGGPL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 4 total=5678 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1235646213.pdb -s /var/tmp/to_scwrl_1235646213.seq -o /var/tmp/from_scwrl_1235646213.pdb > /var/tmp/scwrl_1235646213.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235646213.pdb Number of alignments=464 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLLGGPL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 4 total=5696 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_227158621.pdb -s /var/tmp/to_scwrl_227158621.seq -o /var/tmp/from_scwrl_227158621.pdb > /var/tmp/scwrl_227158621.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_227158621.pdb Number of alignments=465 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S38 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VT 3cghA 38 :SA T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 19 number of extra gaps= 5 total=5715 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_363512579.pdb -s /var/tmp/to_scwrl_363512579.seq -o /var/tmp/from_scwrl_363512579.pdb > /var/tmp/scwrl_363512579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_363512579.pdb Number of alignments=466 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWWA Number of specific fragments extracted= 18 number of extra gaps= 5 total=5733 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1036854241.pdb -s /var/tmp/to_scwrl_1036854241.seq -o /var/tmp/from_scwrl_1036854241.pdb > /var/tmp/scwrl_1036854241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1036854241.pdb Number of alignments=467 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLLGGPL T0532 74 :MEDYQYNVFGRSGF 3cghA 86 :TETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 4 total=5751 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_206004368.pdb -s /var/tmp/to_scwrl_206004368.seq -o /var/tmp/from_scwrl_206004368.pdb > /var/tmp/scwrl_206004368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_206004368.pdb Number of alignments=468 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 5 total=5769 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_908348813.pdb -s /var/tmp/to_scwrl_908348813.seq -o /var/tmp/from_scwrl_908348813.pdb > /var/tmp/scwrl_908348813.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_908348813.pdb Number of alignments=469 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMV 3cghA 107 :KIIPTLYSNL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 5 total=5787 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1628940612.pdb -s /var/tmp/to_scwrl_1628940612.seq -o /var/tmp/from_scwrl_1628940612.pdb > /var/tmp/scwrl_1628940612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1628940612.pdb Number of alignments=470 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S38 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VT 3cghA 38 :SA T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLL T0532 74 :MEDYQYNVFGRSGF 3cghA 86 :TETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 19 number of extra gaps= 5 total=5806 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1453790456.pdb -s /var/tmp/to_scwrl_1453790456.seq -o /var/tmp/from_scwrl_1453790456.pdb > /var/tmp/scwrl_1453790456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453790456.pdb Number of alignments=471 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 5 total=5824 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_979532305.pdb -s /var/tmp/to_scwrl_979532305.seq -o /var/tmp/from_scwrl_979532305.pdb > /var/tmp/scwrl_979532305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979532305.pdb Number of alignments=472 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 5 total=5842 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_353464011.pdb -s /var/tmp/to_scwrl_353464011.seq -o /var/tmp/from_scwrl_353464011.pdb > /var/tmp/scwrl_353464011.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_353464011.pdb Number of alignments=473 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 5 total=5860 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_434187357.pdb -s /var/tmp/to_scwrl_434187357.seq -o /var/tmp/from_scwrl_434187357.pdb > /var/tmp/scwrl_434187357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_434187357.pdb Number of alignments=474 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELL 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 4 total=5878 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1903169400.pdb -s /var/tmp/to_scwrl_1903169400.seq -o /var/tmp/from_scwrl_1903169400.pdb > /var/tmp/scwrl_1903169400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903169400.pdb Number of alignments=475 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLLGGPL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 4 total=5896 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2011807179.pdb -s /var/tmp/to_scwrl_2011807179.seq -o /var/tmp/from_scwrl_2011807179.pdb > /var/tmp/scwrl_2011807179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2011807179.pdb Number of alignments=476 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)T34 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)K35 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 29 :DPDAT 3cghA 35 :PDLSA T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLLGGPL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWI 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVWW Number of specific fragments extracted= 18 number of extra gaps= 5 total=5914 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_471473458.pdb -s /var/tmp/to_scwrl_471473458.seq -o /var/tmp/from_scwrl_471473458.pdb > /var/tmp/scwrl_471473458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471473458.pdb Number of alignments=477 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S38 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTK 3cghA 32 :YEAPD T0532 36 :VT 3cghA 38 :SA T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCLL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 19 number of extra gaps= 5 total=5933 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_912385537.pdb -s /var/tmp/to_scwrl_912385537.seq -o /var/tmp/from_scwrl_912385537.pdb > /var/tmp/scwrl_912385537.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_912385537.pdb Number of alignments=478 # 3cghA read from all-align.a2m # found chain 3cghA in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3cghA)P31 Warning: unaligning (T0532)S39 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)G41 Warning: unaligning (T0532)L40 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)G41 Warning: unaligning (T0532)G88 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V101 Warning: unaligning (T0532)G89 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V101 Warning: unaligning (T0532)L133 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)P154 Warning: unaligning (T0532)P134 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)P154 Warning: unaligning (T0532)Y150 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)D169 Warning: unaligning (T0532)N151 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)D169 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE in next template residue (3cghA)V335 Warning: unaligning (T0532)A318 because of BadResidue code BAD_PEPTIDE at template residue (3cghA)V335 T0532 31 :DATTKVTS 3cghA 32 :YEAPDLSA T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3cghA 42 :YALGSAMNNLAGCVVSPDVNTAQFTDCL T0532 69 :AWGESMEDYQYNVFGRSGF 3cghA 81 :SNAGFTETISNFNPKDDWS T0532 90 :Y 3cghA 102 :F T0532 91 :TTLINAQKMVESV 3cghA 107 :KIIPTLYSNLTQV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3cghA 124 :QNTNDPVPYAIAQVIKVAAMHRVTDAFGP T0532 135 :YEEALQG 3cghA 155 :YSQIGAN T0532 144 :GLVRPK 3cghA 162 :GEIATP T0532 152 :TQKEVMNFILSDLETAYELFSTA 3cghA 170 :SQEVTYNTFFDELNAAIATLNEN T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3cghA 197 :LVPTADYIYKGDVKKWIRFANSLKLRLAIRIAYANPVKAQQMAEEAVN T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3cghA 245 :PANGGVIESNADNATWNYFETSQNPIYV T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3cghA 285 :GGVPCLTGGDTHAAADIICYMNGYKDNRREKFFTKSEWA T0532 307 :DPSLPFEQIE 3cghA 324 :GQDYVGMRRG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3cghA 336 :IPELKTTGHKYSGVNIAPTSPLYWMNAAEVAFLRAEGQAVFNFS T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3cghA 382 :GTAESFYNQGIRLSFEQWGADGVEDYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3cghA 418 :YTDPAGTNTYQNALSNITIKWNDSADKEEKQERIIVQKWIANWQ T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3cghA 462 :LGNEAWADFRRTGYPKLIPVKEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3cghA 487 :GGVVDSEKGARRMPYPLDEFVSNKANVEYAIANYLHGADNMATDVW Number of specific fragments extracted= 18 number of extra gaps= 5 total=5951 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_16069248.pdb -s /var/tmp/to_scwrl_16069248.seq -o /var/tmp/from_scwrl_16069248.pdb > /var/tmp/scwrl_16069248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_16069248.pdb Number of alignments=479 3ckcA expands to /projects/compbio/data/pdb/3ckc.pdb.gz 3ckcA:Bad short name: OD for alphabet: pdb_atoms # 3ckcA read from all-align.a2m # adding 3ckcA to template set # found chain 3ckcA in template set Warning: unaligning (T0532)A18 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)N27 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 1 :MKRINKYISLLLATALL 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 28 :TDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVF 3ckcA 72 :QDEGESGFYRTTFNCNELPTDECLWAWQKNQDIPQLTSISWSPSSQRTEWVYVRL T0532 87 :FGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ckcA 127 :GYDITQYNFFLDQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHF T0532 142 :ELGLV 3ckcA 180 :SNDLP T0532 148 :P 3ckcA 185 :V T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQ T0532 182 :ILGGSISKW 3ckcA 213 :APFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADL 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNED 3ckcA 259 :KLCTNYSE T0532 236 :N 3ckcA 280 :Q T0532 237 :LQMKYADKANTVYPFHN 3ckcA 284 :LPIRQDGVKTRNYGGST T0532 254 :TNTKHA 3ckcA 315 :GTTNGW T0532 263 :MLSTMLIDKFKAT 3ckcA 324 :FARAAMVQKFFSN T0532 276 :G 3ckcA 338 :E T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSL 3ckcA 368 :GIRTEDMIKAAGDDRALLYSGVGGGRRKIQTDAI T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGE 3ckcA 402 :SGFTDGLSIVKWQNYRSDGKPVSHAT T0532 339 :PVVRLGYAEQNFILAEAAVRGWI 3ckcA 432 :DIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKK 3ckcA 455 :DATGDINE T0532 373 :IRAHMEFIASN 3ckcA 463 :LRKRANCTRKV T0532 416 :KEADIEKILTQRYLASFMQHP 3ckcA 474 :QTVTEQELIDEWAREFYLEGR T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ckcA 495 :RRSDLVRFGMFTTNKYLWDWKGGAM T0532 464 :DRLPMRWMYPKSESDY 3ckcA 525 :ASYYNKYPIPVSDINN T0532 485 :NEALERQFG 3ckcA 541 :NRNMSQNEG T0532 503 :W 3ckcA 550 :Y Number of specific fragments extracted= 25 number of extra gaps= 0 total=5976 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_211312264.pdb -s /var/tmp/to_scwrl_211312264.seq -o /var/tmp/from_scwrl_211312264.pdb > /var/tmp/scwrl_211312264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_211312264.pdb Number of alignments=480 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 4 :INKYISLL 3ckcA 45 :QGVFVKGY T0532 28 :TDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVF 3ckcA 72 :QDEGESGFYRTTFNCNELPTDECLWAWQKNQDIPQLTSISWSPSSQRTEWVYVRL T0532 87 :FGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ckcA 127 :GYDITQYNFFLDQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHF T0532 142 :ELGLV 3ckcA 180 :SNDLP T0532 148 :P 3ckcA 185 :V T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQ T0532 182 :ILGGSISKW 3ckcA 213 :APFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADL 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNED 3ckcA 259 :KLCTNYSE T0532 236 :N 3ckcA 280 :Q T0532 237 :LQMKYADKANTVYPFHN 3ckcA 284 :LPIRQDGVKTRNYGGST T0532 254 :TNTKHA 3ckcA 315 :GTTNGW T0532 263 :MLSTMLIDKFKAT 3ckcA 324 :FARAAMVQKFFSN T0532 276 :G 3ckcA 338 :E T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSL 3ckcA 368 :GIRTEDMIKAAGDDRALLYSGVGGGRRKIQTDAI T0532 317 :KAYATEQYS 3ckcA 406 :DGLSIVKWQ T0532 326 :GFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ckcA 419 :DGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKK 3ckcA 455 :DATGDINE T0532 373 :IRAHMEFIASN 3ckcA 463 :LRKRANCTRKV T0532 416 :KEADIEKILTQRYLASFMQHP 3ckcA 474 :QTVTEQELIDEWAREFYLEGR T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ckcA 495 :RRSDLVRFGMFTTNKYLWDWKGGAM T0532 464 :DRLPMRWMYPKSESDY 3ckcA 525 :ASYYNKYPIPVSDINN T0532 485 :NEALERQFG 3ckcA 541 :NRNMSQNEG T0532 503 :W 3ckcA 550 :Y Number of specific fragments extracted= 25 number of extra gaps= 0 total=6001 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_455090990.pdb -s /var/tmp/to_scwrl_455090990.seq -o /var/tmp/from_scwrl_455090990.pdb > /var/tmp/scwrl_455090990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455090990.pdb Number of alignments=481 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)S38 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)S39 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 24 :DEINTDPDATTKVT 3ckcA 45 :QGVFVKGYAMLGVT T0532 40 :LLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVF 3ckcA 84 :FNCNELPTDECLWAWQKNQDIPQLTSISWSPSSQRTEWVYVRL T0532 87 :FGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ckcA 127 :GYDITQYNFFLDQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHF T0532 142 :ELGLV 3ckcA 180 :SNDLP T0532 148 :P 3ckcA 185 :V T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQ T0532 182 :ILGGSISKW 3ckcA 213 :APFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADL 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNED 3ckcA 259 :KLCTNYSE T0532 236 :N 3ckcA 280 :Q T0532 237 :LQMKYADKANTVYPFHN 3ckcA 284 :LPIRQDGVKTRNYGGST T0532 254 :TNTKHA 3ckcA 315 :GTTNGW T0532 263 :MLSTMLIDKFKAT 3ckcA 324 :FARAAMVQKFFSN T0532 276 :G 3ckcA 338 :E T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSL 3ckcA 368 :GIRTEDMIKAAGDDRALLYSGVGGGRRKIQTDAI T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGE 3ckcA 402 :SGFTDGLSIVKWQNYRSDGKPVSHAT T0532 339 :PVVRLGYAEQNFILAEAAVRGWI 3ckcA 432 :DIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKK 3ckcA 455 :DATGDINE T0532 373 :IRAHMEFIASN 3ckcA 463 :LRKRANCTRKV T0532 416 :KEADIEKILTQRYLASFMQHP 3ckcA 474 :QTVTEQELIDEWAREFYLEGR T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ckcA 495 :RRSDLVRFGMFTTNKYLWDWKGGAM T0532 464 :DRLPMRWMYPKSESDYN 3ckcA 525 :ASYYNKYPIPVSDINNN Number of specific fragments extracted= 23 number of extra gaps= 0 total=6024 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1505493815.pdb -s /var/tmp/to_scwrl_1505493815.seq -o /var/tmp/from_scwrl_1505493815.pdb > /var/tmp/scwrl_1505493815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1505493815.pdb Number of alignments=482 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)S38 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 28 :TDPDATTKVT 3ckcA 49 :VKGYAMLGVT T0532 39 :SLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVF 3ckcA 83 :TFNCNELPTDECLWAWQKNQDIPQLTSISWSPSSQRTEWVYVRL T0532 87 :FGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ckcA 127 :GYDITQYNFFLDQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHF T0532 142 :ELGLV 3ckcA 180 :SNDLP T0532 148 :P 3ckcA 185 :V T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQ T0532 182 :ILGGSISKW 3ckcA 213 :APFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADL 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNED 3ckcA 259 :KLCTNYSE T0532 236 :N 3ckcA 280 :Q T0532 237 :LQMKYADKANTVYPFHN 3ckcA 284 :LPIRQDGVKTRNYGGST T0532 254 :TNTKHA 3ckcA 315 :GTTNGW T0532 263 :MLSTMLIDKFKAT 3ckcA 324 :FARAAMVQKFFSN T0532 276 :G 3ckcA 338 :E T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSL 3ckcA 368 :GIRTEDMIKAAGDDRALLYSGVGGGRRKIQTDAI T0532 317 :KAYATEQYS 3ckcA 406 :DGLSIVKWQ T0532 326 :GFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ckcA 419 :DGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKK 3ckcA 455 :DATGDINE T0532 373 :IRAHMEFIASN 3ckcA 463 :LRKRANCTRKV T0532 416 :KEADIEKILTQRYLASFMQHP 3ckcA 474 :QTVTEQELIDEWAREFYLEGR T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ckcA 495 :RRSDLVRFGMFTTNKYLWDWKGGAM T0532 464 :DRLPMRWMYPKSESDYN 3ckcA 525 :ASYYNKYPIPVSDINNN Number of specific fragments extracted= 23 number of extra gaps= 0 total=6047 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_822753282.pdb -s /var/tmp/to_scwrl_822753282.seq -o /var/tmp/from_scwrl_822753282.pdb > /var/tmp/scwrl_822753282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822753282.pdb Number of alignments=483 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)T14 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)L291 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)E293 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 15 :ALLAS 3ckcA 42 :FDQQG T0532 35 :KVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 75 :GESGFYRTTFNCNELPTDECLWAWQKNQDIPQLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFST 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYE T0532 179 :GDPILGGSISKW 3ckcA 210 :PRQAPFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 226 :SGSLMESNEDNLQ 3ckcA 257 :AYKLCTNYSELFM T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ckcA 274 :ENENAMQEIILPIRQDGVKTRNYGGSTYLVCGTR T0532 278 :IRMFYYAKPAKAK 3ckcA 308 :VAGMPRMGTTNGW T0532 294 :GVTADSWDAYIGTDPSLPFEQIE 3ckcA 324 :FARAAMVQKFFSNLEDVPMLPAD T0532 317 :KAYATEQYSGFN 3ckcA 406 :DGLSIVKWQNYR T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ckcA 422 :PVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKK 3ckcA 455 :DATGDINE T0532 374 :RAHMEF 3ckcA 466 :RANCTR T0532 415 :EKEADIEKILTQRYLASFMQ 3ckcA 473 :VQTVTEQELIDEWAREFYLE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTM 3ckcA 493 :GRRRSDLVRFGMFTTNKYLWDWKGGA T0532 490 :RQFGGVDDVNKLMWILQ 3ckcA 519 :MNGTSVASYYNKYPIPV Number of specific fragments extracted= 16 number of extra gaps= 0 total=6063 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1592897745.pdb -s /var/tmp/to_scwrl_1592897745.seq -o /var/tmp/from_scwrl_1592897745.pdb > /var/tmp/scwrl_1592897745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592897745.pdb Number of alignments=484 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)L291 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)E293 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 6 :KYISLLLATAL 3ckcA 43 :DQQGVFVKGYA T0532 40 :LLATGLLLDITSSS 3ckcA 84 :FNCNELPTDECLWA T0532 59 :IYDELLAKQMAWGESMED 3ckcA 98 :WQKNQDIPQLTSISWSPS T0532 77 :YQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3ckcA 117 :QRTEWVYVRLGYDITQYNFFLDQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFS T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFST 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYE T0532 179 :GDPILGGSISKW 3ckcA 210 :PRQAPFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADLK 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDYA T0532 216 :VKERFARIVASG 3ckcA 246 :AEEYASKVIGSA T0532 228 :SLMESNEDNLQ 3ckcA 259 :KLCTNYSELFM T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTM 3ckcA 274 :ENENAMQEIILPIRQDGVKTRNYGGSTYL T0532 268 :LI 3ckcA 305 :GT T0532 278 :IRMFYYAKPAKAK 3ckcA 308 :VAGMPRMGTTNGW T0532 294 :GVTADSWDAYIGTDPSLPFEQI 3ckcA 324 :FARAAMVQKFFSNLEDVPMLPA T0532 316 :EKAYATEQYSGFN 3ckcA 405 :TDGLSIVKWQNYR T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ckcA 422 :PVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKK 3ckcA 455 :DATGDINE T0532 373 :IRAHMEF 3ckcA 465 :KRANCTR T0532 415 :EKEADIEKILTQRYLASFMQ 3ckcA 473 :VQTVTEQELIDEWAREFYLE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTM 3ckcA 493 :GRRRSDLVRFGMFTTNKYLWDWKGGA T0532 491 :QFGGVDDVNKLMWILQ 3ckcA 520 :NGTSVASYYNKYPIPV Number of specific fragments extracted= 20 number of extra gaps= 0 total=6083 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1581367717.pdb -s /var/tmp/to_scwrl_1581367717.seq -o /var/tmp/from_scwrl_1581367717.pdb > /var/tmp/scwrl_1581367717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1581367717.pdb Number of alignments=485 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)L291 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)E293 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 100 :VESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 140 :TEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFST 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYE T0532 179 :GDPILGGSISKW 3ckcA 210 :PRQAPFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 226 :SGSLMESNEDNLQ 3ckcA 257 :AYKLCTNYSELFM T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ckcA 274 :ENENAMQEIILPIRQDGVKTRNYGGSTYLVCGTR T0532 278 :IRMFYYAKPAKAK 3ckcA 308 :VAGMPRMGTTNGW T0532 294 :GVTADSWDAYIGTDPSLPFEQIE 3ckcA 324 :FARAAMVQKFFSNLEDVPMLPAD T0532 317 :KAYATEQYSGFN 3ckcA 406 :DGLSIVKWQNYR T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVR 3ckcA 422 :PVSHATYPDTDIPLFRLAEAYLTRAEAIFR Number of specific fragments extracted= 10 number of extra gaps= 0 total=6093 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1732638816.pdb -s /var/tmp/to_scwrl_1732638816.seq -o /var/tmp/from_scwrl_1732638816.pdb > /var/tmp/scwrl_1732638816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1732638816.pdb Number of alignments=486 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)L291 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)E293 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 73 :SMEDYQYNVFGRSG 3ckcA 104 :IPQLTSISWSPSSQ T0532 87 :FG 3ckcA 123 :YV T0532 89 :GYTTLINAQ 3ckcA 126 :LGYDITQYN T0532 98 :KMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3ckcA 138 :DQTEGMTDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFS T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFST 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYE T0532 179 :GDPILGGSISKW 3ckcA 210 :PRQAPFGRADKA T0532 193 :ATTAFQLKVLMHLSKKESDADLK 3ckcA 222 :ANWLLRARLYLNAGVYTGQTDYA T0532 216 :VKERFARIVASG 3ckcA 246 :AEEYASKVIGSA T0532 228 :SLMESNEDNLQ 3ckcA 259 :KLCTNYSELFM T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTM 3ckcA 274 :ENENAMQEIILPIRQDGVKTRNYGGSTYL T0532 268 :LI 3ckcA 305 :GT T0532 278 :IRMFYYAKPAKAK 3ckcA 308 :VAGMPRMGTTNGW T0532 294 :GVTADSWDAYIGTDPSLPFEQI 3ckcA 324 :FARAAMVQKFFSNLEDVPMLPA T0532 316 :EKAYATEQYSGFN 3ckcA 405 :TDGLSIVKWQNYR T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ckcA 422 :PVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKK 3ckcA 455 :DATGDINE T0532 373 :IRAHMEF 3ckcA 465 :KRANCTR T0532 415 :EKEADIEKILTQRYLASFMQ 3ckcA 473 :VQTVTEQELIDEWAREFYLE T0532 437 :YDVYYDYRRTGYPVLPINPATN 3ckcA 493 :GRRRSDLVRFGMFTTNKYLWDW Number of specific fragments extracted= 19 number of extra gaps= 0 total=6112 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_833157091.pdb -s /var/tmp/to_scwrl_833157091.seq -o /var/tmp/from_scwrl_833157091.pdb > /var/tmp/scwrl_833157091.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_833157091.pdb Number of alignments=487 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set T0532 117 :FIKAYKIFYMSMEMGDLPYEEALQGEL 3ckcA 157 :FLRALHYWYFLDLFGKAPFKEHFSNDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=6113 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1431681790.pdb -s /var/tmp/to_scwrl_1431681790.seq -o /var/tmp/from_scwrl_1431681790.pdb > /var/tmp/scwrl_1431681790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1431681790.pdb Number of alignments=488 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set T0532 115 :AHFIKAYKIFYMSMEMGDLPYEEALQGELGLVR 3ckcA 155 :IRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=6114 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1966434419.pdb -s /var/tmp/to_scwrl_1966434419.seq -o /var/tmp/from_scwrl_1966434419.pdb > /var/tmp/scwrl_1966434419.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1966434419.pdb Number of alignments=489 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKP 3ckcA 380 :DDRALLYSGV T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 390 :GGGRRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6137 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_854751906.pdb -s /var/tmp/to_scwrl_854751906.seq -o /var/tmp/from_scwrl_854751906.pdb > /var/tmp/scwrl_854751906.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_854751906.pdb Number of alignments=490 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPK 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEKKG T0532 154 :KEVMNFILSDLETAYELFSTAKDFD 3ckcA 190 :TELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPSLP 3ckcA 395 :KIQTDAISGFT T0532 317 :KAYATEQYSGFNAR 3ckcA 406 :DGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6161 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_232725505.pdb -s /var/tmp/to_scwrl_232725505.seq -o /var/tmp/from_scwrl_232725505.pdb > /var/tmp/scwrl_232725505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_232725505.pdb Number of alignments=491 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVR 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEK T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 188 :KGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAK 3ckcA 380 :DDRALLYSGVGGGR T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 394 :RKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6184 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1670514384.pdb -s /var/tmp/to_scwrl_1670514384.seq -o /var/tmp/from_scwrl_1670514384.pdb > /var/tmp/scwrl_1670514384.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1670514384.pdb Number of alignments=492 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKFKA 3ckcA 324 :FARAAMVQKFFS T0532 276 :G 3ckcA 336 :N T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPS 3ckcA 395 :KIQTDAISG T0532 315 :IEKAYATEQYSGFNAR 3ckcA 404 :FTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6208 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1697999477.pdb -s /var/tmp/to_scwrl_1697999477.seq -o /var/tmp/from_scwrl_1697999477.pdb > /var/tmp/scwrl_1697999477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697999477.pdb Number of alignments=493 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPSLP 3ckcA 395 :KIQTDAISGFT T0532 317 :KAYATEQYSGFNAR 3ckcA 406 :DGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6232 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_433435349.pdb -s /var/tmp/to_scwrl_433435349.seq -o /var/tmp/from_scwrl_433435349.pdb > /var/tmp/scwrl_433435349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433435349.pdb Number of alignments=494 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DA 3ckcA 395 :KI T0532 308 :PSLPFEQIEKAYATEQYSGFNAR 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6256 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_758676952.pdb -s /var/tmp/to_scwrl_758676952.seq -o /var/tmp/from_scwrl_758676952.pdb > /var/tmp/scwrl_758676952.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_758676952.pdb Number of alignments=495 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKP 3ckcA 380 :DDRALLYSGV T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 390 :GGGRRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6279 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1925158099.pdb -s /var/tmp/to_scwrl_1925158099.seq -o /var/tmp/from_scwrl_1925158099.pdb > /var/tmp/scwrl_1925158099.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1925158099.pdb Number of alignments=496 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGL 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPV T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKA 3ckcA 380 :DDRALLYSGVGGG T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 393 :RRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6302 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_796947929.pdb -s /var/tmp/to_scwrl_796947929.seq -o /var/tmp/from_scwrl_796947929.pdb > /var/tmp/scwrl_796947929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796947929.pdb Number of alignments=497 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGR 3ckcA 116 :SQRTE T0532 87 :F 3ckcA 121 :W T0532 90 :Y 3ckcA 123 :Y T0532 91 :TTLINAQKMVESV 3ckcA 128 :YDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGL 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPV T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 240 :KYADKANTVYPFHNTNTKHA 3ckcA 301 :YLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKP 3ckcA 380 :DDRALLYSGV T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 390 :GGGRRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 25 number of extra gaps= 0 total=6327 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1795531192.pdb -s /var/tmp/to_scwrl_1795531192.seq -o /var/tmp/from_scwrl_1795531192.pdb > /var/tmp/scwrl_1795531192.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795531192.pdb Number of alignments=498 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 112 :WSPSSQRTEW T0532 90 :Y 3ckcA 123 :Y T0532 91 :TTLINAQKMVESV 3ckcA 128 :YDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAK 3ckcA 380 :DDRALLYSGVGG T0532 301 :DAYIGTDPSLPFEQ 3ckcA 392 :GRRKIQTDAISGFT T0532 317 :KAYATEQYSGFNAR 3ckcA 406 :DGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 25 number of extra gaps= 0 total=6352 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2131162467.pdb -s /var/tmp/to_scwrl_2131162467.seq -o /var/tmp/from_scwrl_2131162467.pdb > /var/tmp/scwrl_2131162467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2131162467.pdb Number of alignments=499 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPS 3ckcA 395 :KIQTDAISG T0532 315 :IEKAYATEQYSGFNAR 3ckcA 404 :FTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6376 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1705296741.pdb -s /var/tmp/to_scwrl_1705296741.seq -o /var/tmp/from_scwrl_1705296741.pdb > /var/tmp/scwrl_1705296741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705296741.pdb Number of alignments=500 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLP T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 185 :VEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 306 :TDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 395 :KIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6399 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1276988157.pdb -s /var/tmp/to_scwrl_1276988157.seq -o /var/tmp/from_scwrl_1276988157.pdb > /var/tmp/scwrl_1276988157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1276988157.pdb Number of alignments=501 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKP 3ckcA 380 :DDRALLYSGV T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 390 :GGGRRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6422 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1437469276.pdb -s /var/tmp/to_scwrl_1437469276.seq -o /var/tmp/from_scwrl_1437469276.pdb > /var/tmp/scwrl_1437469276.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1437469276.pdb Number of alignments=502 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPK 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEKKG T0532 154 :KEVMNFILSDLETAYELFSTAKDFD 3ckcA 190 :TELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPSLP 3ckcA 395 :KIQTDAISGFT T0532 317 :KAYATEQYSGFNAR 3ckcA 406 :DGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6446 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_537345399.pdb -s /var/tmp/to_scwrl_537345399.seq -o /var/tmp/from_scwrl_537345399.pdb > /var/tmp/scwrl_537345399.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_537345399.pdb Number of alignments=503 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVR 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVEK T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 188 :KGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAK 3ckcA 380 :DDRALLYSGVGGGR T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 394 :RKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6469 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1630452169.pdb -s /var/tmp/to_scwrl_1630452169.seq -o /var/tmp/from_scwrl_1630452169.pdb > /var/tmp/scwrl_1630452169.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630452169.pdb Number of alignments=504 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKFKA 3ckcA 324 :FARAAMVQKFFS T0532 276 :G 3ckcA 336 :N T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPS 3ckcA 395 :KIQTDAISG T0532 315 :IEKAYATEQYSGFNAR 3ckcA 404 :FTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6493 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1871656633.pdb -s /var/tmp/to_scwrl_1871656633.seq -o /var/tmp/from_scwrl_1871656633.pdb > /var/tmp/scwrl_1871656633.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1871656633.pdb Number of alignments=505 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPSLP 3ckcA 395 :KIQTDAISGFT T0532 317 :KAYATEQYSGFNAR 3ckcA 406 :DGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6517 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_293031152.pdb -s /var/tmp/to_scwrl_293031152.seq -o /var/tmp/from_scwrl_293031152.pdb > /var/tmp/scwrl_293031152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_293031152.pdb Number of alignments=506 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DA 3ckcA 395 :KI T0532 308 :PSLPFEQIEKAYATEQYSGFNAR 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6541 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1494775701.pdb -s /var/tmp/to_scwrl_1494775701.seq -o /var/tmp/from_scwrl_1494775701.pdb > /var/tmp/scwrl_1494775701.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1494775701.pdb Number of alignments=507 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKP 3ckcA 380 :DDRALLYSGV T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 390 :GGGRRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6564 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_195646444.pdb -s /var/tmp/to_scwrl_195646444.seq -o /var/tmp/from_scwrl_195646444.pdb > /var/tmp/scwrl_195646444.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_195646444.pdb Number of alignments=508 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGL 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPV T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKA 3ckcA 380 :DDRALLYSGVGGG T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 393 :RRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6587 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1205416689.pdb -s /var/tmp/to_scwrl_1205416689.seq -o /var/tmp/from_scwrl_1205416689.pdb > /var/tmp/scwrl_1205416689.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205416689.pdb Number of alignments=509 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGR 3ckcA 116 :SQRTE T0532 87 :F 3ckcA 121 :W T0532 90 :Y 3ckcA 123 :Y T0532 91 :TTLINAQKMVESV 3ckcA 128 :YDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGL 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPV T0532 150 :YNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 186 :EKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 240 :KYADKANTVYPFHNTNTKHA 3ckcA 301 :YLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKP 3ckcA 380 :DDRALLYSGV T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 390 :GGGRRKIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 25 number of extra gaps= 0 total=6612 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1510844949.pdb -s /var/tmp/to_scwrl_1510844949.seq -o /var/tmp/from_scwrl_1510844949.pdb > /var/tmp/scwrl_1510844949.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1510844949.pdb Number of alignments=510 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 112 :WSPSSQRTEW T0532 90 :Y 3ckcA 123 :Y T0532 91 :TTLINAQKMVESV 3ckcA 128 :YDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAK 3ckcA 380 :DDRALLYSGVGG T0532 301 :DAYIGTDPSLPFEQ 3ckcA 392 :GRRKIQTDAISGFT T0532 317 :KAYATEQYSGFNAR 3ckcA 406 :DGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 25 number of extra gaps= 0 total=6637 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_406958708.pdb -s /var/tmp/to_scwrl_406958708.seq -o /var/tmp/from_scwrl_406958708.pdb > /var/tmp/scwrl_406958708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406958708.pdb Number of alignments=511 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLV 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLPVE T0532 151 :NTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 187 :KKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 301 :DAYIGTDPS 3ckcA 395 :KIQTDAISG T0532 315 :IEKAYATEQYSGFNAR 3ckcA 404 :FTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=6661 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1660507679.pdb -s /var/tmp/to_scwrl_1660507679.seq -o /var/tmp/from_scwrl_1660507679.pdb > /var/tmp/scwrl_1660507679.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1660507679.pdb Number of alignments=512 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)I323 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)I323 T0532 36 :VTSSLLATGLLLDIT 3ckcA 42 :FDQQGVFVKGYAMLG T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ckcA 77 :SGFYRTTFNCNELPTDECLWAWQKNQDIP T0532 80 :NVFGRSGFGG 3ckcA 116 :SQRTEWVYVR T0532 90 :YTTLINAQKMVESV 3ckcA 127 :GYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLP T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 185 :VEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 184 :GGSISK 3ckcA 215 :FGRADK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ckcA 221 :AANWLLRARLYLNAGVYTGQTDY T0532 215 :KVKERFARIVASG 3ckcA 245 :KAEEYASKVIGSA T0532 228 :SLMESNEDNL 3ckcA 259 :KLCTNYSELF T0532 238 :QMKYADKANTVYPFHNTNTKHA 3ckcA 299 :STYLVCGTRVAGMPRMGTTNGW T0532 263 :MLSTMLIDKF 3ckcA 324 :FARAAMVQKF T0532 274 :ATG 3ckcA 334 :FSN T0532 277 :DIRMFYYAKPAKAKL 3ckcA 380 :DDRALLYSGVGGGRR T0532 306 :TDPSLPFEQIEKAYATEQYSGFNAR 3ckcA 395 :KIQTDAISGFTDGLSIVKWQNYRSD T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3ckcA 424 :SHATYPDTDIPLFRLAEAYLTRAEAIFRQG T0532 363 :GDASAYYKK 3ckcA 454 :GDATGDINE T0532 373 :IRAHMEFIASNT 3ckcA 463 :LRKRANCTRKVQ T0532 413 :SGE 3ckcA 475 :TVT T0532 420 :IEKILTQRYLASF 3ckcA 478 :EQELIDEWAREFY T0532 434 :QHPY 3ckcA 491 :LEGR T0532 439 :VYYDYRRTGYPVLP 3ckcA 495 :RRSDLVRFGMFTTN T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 514 :WKGGAMNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=6684 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_868855119.pdb -s /var/tmp/to_scwrl_868855119.seq -o /var/tmp/from_scwrl_868855119.pdb > /var/tmp/scwrl_868855119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_868855119.pdb Number of alignments=513 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLST 3ckcA 291 :VKTRNYGGSTYLVCG T0532 273 :KATGDIRMFYYAKPAKAKLN 3ckcA 376 :KAAGDDRALLYSGVGGGRRK T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 396 :IQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 367 :AYYKKAIRAHMEFI 3ckcA 457 :TGDINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEA 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQNE T0532 495 :VD 3ckcA 549 :GY Number of specific fragments extracted= 15 number of extra gaps= 0 total=6699 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1229711990.pdb -s /var/tmp/to_scwrl_1229711990.seq -o /var/tmp/from_scwrl_1229711990.pdb > /var/tmp/scwrl_1229711990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1229711990.pdb Number of alignments=514 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAPF T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 216 :GRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAK 3ckcA 376 :KAAGDDRALLYSGVGGGR T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 394 :RKIQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 363 :GD 3ckcA 458 :GD T0532 370 :KKAIRAHMEF 3ckcA 460 :INELRKRANC T0532 412 :LSGEKEADIEKILTQRYLASFM 3ckcA 470 :TRKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 14 number of extra gaps= 0 total=6713 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1105921777.pdb -s /var/tmp/to_scwrl_1105921777.seq -o /var/tmp/from_scwrl_1105921777.pdb > /var/tmp/scwrl_1105921777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1105921777.pdb Number of alignments=515 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)R490 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 256 :TKHAGYAMLSTMLIDKF 3ckcA 284 :LPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 363 :G 3ckcA 458 :G T0532 369 :YKKAIRAHMEFI 3ckcA 459 :DINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQNEGY Number of specific fragments extracted= 15 number of extra gaps= 0 total=6728 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_302739189.pdb -s /var/tmp/to_scwrl_302739189.seq -o /var/tmp/from_scwrl_302739189.pdb > /var/tmp/scwrl_302739189.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_302739189.pdb Number of alignments=516 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)K500 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVIG T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ckcA 256 :SAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDK 3ckcA 286 :IRQDGVKTRNYGGSTYLVCG T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DAS 3ckcA 457 :TGD T0532 370 :KKAIRAHMEFIA 3ckcA 460 :INELRKRANCTR T0532 414 :GEKEADIEKILTQRYLASFM 3ckcA 472 :KVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNM T0532 494 :GVDDVN 3ckcA 545 :SQNEGY Number of specific fragments extracted= 16 number of extra gaps= 0 total=6744 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_814867160.pdb -s /var/tmp/to_scwrl_814867160.seq -o /var/tmp/from_scwrl_814867160.pdb > /var/tmp/scwrl_814867160.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_814867160.pdb Number of alignments=517 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTA 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEP T0532 175 :KDF 3ckcA 214 :PFG T0532 188 :SKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3ckcA 217 :RADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVIG T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ckcA 256 :SAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3ckcA 286 :IRQDGVKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 366 :SAY 3ckcA 457 :TGD T0532 370 :KKAIRAHMEFI 3ckcA 460 :INELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNM T0532 494 :GVDD 3ckcA 545 :SQNE Number of specific fragments extracted= 17 number of extra gaps= 0 total=6761 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1939078869.pdb -s /var/tmp/to_scwrl_1939078869.seq -o /var/tmp/from_scwrl_1939078869.pdb > /var/tmp/scwrl_1939078869.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1939078869.pdb Number of alignments=518 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)K500 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 255 :NTKHAGYAMLSTMLIDKF 3ckcA 283 :ILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DA 3ckcA 457 :TG T0532 369 :YKKAIRAHMEF 3ckcA 459 :DINELRKRANC T0532 412 :LSGEKEADIEKILTQRYLASFM 3ckcA 470 :TRKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNM T0532 494 :GVDDVN 3ckcA 545 :SQNEGY Number of specific fragments extracted= 16 number of extra gaps= 0 total=6777 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1734420979.pdb -s /var/tmp/to_scwrl_1734420979.seq -o /var/tmp/from_scwrl_1734420979.pdb > /var/tmp/scwrl_1734420979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1734420979.pdb Number of alignments=519 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)K500 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DA 3ckcA 457 :TG T0532 369 :YKKAIRAHMEFI 3ckcA 459 :DINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQ T0532 496 :DDVN 3ckcA 547 :NEGY Number of specific fragments extracted= 15 number of extra gaps= 0 total=6792 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_633817932.pdb -s /var/tmp/to_scwrl_633817932.seq -o /var/tmp/from_scwrl_633817932.pdb > /var/tmp/scwrl_633817932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_633817932.pdb Number of alignments=520 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 215 :FGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTM 3ckcA 291 :VKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 365 :ASAYYKKAIRAH 3ckcA 456 :ATGDINELRKRA T0532 378 :EF 3ckcA 468 :NC T0532 412 :LSGEKEADIEKILTQRYLASFM 3ckcA 470 :TRKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQ T0532 496 :DDVN 3ckcA 547 :NEGY Number of specific fragments extracted= 16 number of extra gaps= 0 total=6808 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_646347128.pdb -s /var/tmp/to_scwrl_646347128.seq -o /var/tmp/from_scwrl_646347128.pdb > /var/tmp/scwrl_646347128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_646347128.pdb Number of alignments=521 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)K500 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 215 :FGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3ckcA 286 :IRQDGVKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAKL 3ckcA 376 :KAAGDDRALLYSGVGGGRR T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 395 :KIQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 367 :AYYKKAIRAHMEFIASNTPD 3ckcA 457 :TGDINELRKRANCTRKVQTV T0532 419 :DIEKILTQRYLASFM 3ckcA 477 :TEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN T0532 493 :GGVDDVN 3ckcA 544 :MSQNEGY Number of specific fragments extracted= 15 number of extra gaps= 0 total=6823 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1967146484.pdb -s /var/tmp/to_scwrl_1967146484.seq -o /var/tmp/from_scwrl_1967146484.pdb > /var/tmp/scwrl_1967146484.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967146484.pdb Number of alignments=522 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)L501 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAPF T0532 185 :GSIS 3ckcA 216 :GRAD T0532 191 :KKATTAFQLKVLMHLS 3ckcA 220 :KAANWLLRARLYLNAG T0532 207 :KKESDADLKVKERFAR 3ckcA 240 :QTDYAKAEEYASKVIG T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ckcA 256 :SAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3ckcA 286 :IRQDGVKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAK 3ckcA 376 :KAAGDDRALLYSGVGGGR T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ckcA 395 :KIQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKKAIRAH 3ckcA 455 :DATGDINELRKRA T0532 407 :TPAIQLSGEKE 3ckcA 468 :NCTRKVQTVTE T0532 421 :EKILTQRYLASFM 3ckcA 479 :QELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNR T0532 493 :GGVDDVNK 3ckcA 543 :NMSQNEGY Number of specific fragments extracted= 18 number of extra gaps= 0 total=6841 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_156848670.pdb -s /var/tmp/to_scwrl_156848670.seq -o /var/tmp/from_scwrl_156848670.pdb > /var/tmp/scwrl_156848670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_156848670.pdb Number of alignments=523 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)K500 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLP T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 185 :VEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 253 :NTNTKHAGYAMLSTMLIDKF 3ckcA 281 :EIILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DA 3ckcA 457 :TG T0532 369 :YKKAIRAHMEFIASN 3ckcA 459 :DINELRKRANCTRKV T0532 416 :KEADIEKILTQRYLASFM 3ckcA 474 :QTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN T0532 493 :GGVDDVN 3ckcA 544 :MSQNEGY Number of specific fragments extracted= 16 number of extra gaps= 0 total=6857 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_196862959.pdb -s /var/tmp/to_scwrl_196862959.seq -o /var/tmp/from_scwrl_196862959.pdb > /var/tmp/scwrl_196862959.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196862959.pdb Number of alignments=524 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 Warning: unaligning (T0532)K500 because last residue in template chain is (3ckcA)K551 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 215 :FGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTML 3ckcA 286 :IRQDGVKTRNYGGSTYL T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :D 3ckcA 457 :T T0532 367 :A 3ckcA 458 :G T0532 369 :YKKAIRAHMEFI 3ckcA 459 :DINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNM T0532 494 :GVDDVN 3ckcA 545 :SQNEGY Number of specific fragments extracted= 17 number of extra gaps= 0 total=6874 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_253098186.pdb -s /var/tmp/to_scwrl_253098186.seq -o /var/tmp/from_scwrl_253098186.pdb > /var/tmp/scwrl_253098186.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_253098186.pdb Number of alignments=525 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLST 3ckcA 291 :VKTRNYGGSTYLVCG T0532 273 :KATGDIRMFYYAKPAKAKLN 3ckcA 376 :KAAGDDRALLYSGVGGGRRK T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 396 :IQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 367 :AYYKKAIRAHMEFI 3ckcA 457 :TGDINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=6888 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_915525622.pdb -s /var/tmp/to_scwrl_915525622.seq -o /var/tmp/from_scwrl_915525622.pdb > /var/tmp/scwrl_915525622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915525622.pdb Number of alignments=526 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAPF T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 216 :GRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAK 3ckcA 376 :KAAGDDRALLYSGVGGGR T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 394 :RKIQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 363 :GD 3ckcA 458 :GD T0532 370 :KKAIRAHMEF 3ckcA 460 :INELRKRANC T0532 412 :LSGEKEADIEKILTQRYLASFM 3ckcA 470 :TRKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQN Number of specific fragments extracted= 14 number of extra gaps= 0 total=6902 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2122021058.pdb -s /var/tmp/to_scwrl_2122021058.seq -o /var/tmp/from_scwrl_2122021058.pdb > /var/tmp/scwrl_2122021058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2122021058.pdb Number of alignments=527 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 256 :TKHAGYAMLSTMLIDKF 3ckcA 284 :LPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 363 :G 3ckcA 458 :G T0532 369 :YKKAIRAHMEFI 3ckcA 459 :DINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRNMSQ Number of specific fragments extracted= 15 number of extra gaps= 0 total=6917 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1050046115.pdb -s /var/tmp/to_scwrl_1050046115.seq -o /var/tmp/from_scwrl_1050046115.pdb > /var/tmp/scwrl_1050046115.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1050046115.pdb Number of alignments=528 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVIG T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ckcA 256 :SAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDK 3ckcA 286 :IRQDGVKTRNYGGSTYLVCG T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DAS 3ckcA 457 :TGD T0532 370 :KKAIRAHMEFIA 3ckcA 460 :INELRKRANCTR T0532 414 :GEKEADIEKILTQRYLASFM 3ckcA 472 :KVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN Number of specific fragments extracted= 15 number of extra gaps= 0 total=6932 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_563573167.pdb -s /var/tmp/to_scwrl_563573167.seq -o /var/tmp/from_scwrl_563573167.pdb > /var/tmp/scwrl_563573167.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_563573167.pdb Number of alignments=529 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTA 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEP T0532 175 :KDF 3ckcA 214 :PFG T0532 188 :SKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3ckcA 217 :RADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVIG T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ckcA 256 :SAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3ckcA 286 :IRQDGVKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 366 :SAY 3ckcA 457 :TGD T0532 370 :KKAIRAHMEFI 3ckcA 460 :INELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN Number of specific fragments extracted= 16 number of extra gaps= 0 total=6948 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2105699878.pdb -s /var/tmp/to_scwrl_2105699878.seq -o /var/tmp/from_scwrl_2105699878.pdb > /var/tmp/scwrl_2105699878.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105699878.pdb Number of alignments=530 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 255 :NTKHAGYAMLSTMLIDKF 3ckcA 283 :ILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DA 3ckcA 457 :TG T0532 369 :YKKAIRAHMEF 3ckcA 459 :DINELRKRANC T0532 412 :LSGEKEADIEKILTQRYLASFM 3ckcA 470 :TRKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN Number of specific fragments extracted= 15 number of extra gaps= 0 total=6963 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_607859209.pdb -s /var/tmp/to_scwrl_607859209.seq -o /var/tmp/from_scwrl_607859209.pdb > /var/tmp/scwrl_607859209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607859209.pdb Number of alignments=531 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAMQEIILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DA 3ckcA 457 :TG T0532 369 :YKKAIRAHMEFI 3ckcA 459 :DINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN Number of specific fragments extracted= 14 number of extra gaps= 0 total=6977 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1840561325.pdb -s /var/tmp/to_scwrl_1840561325.seq -o /var/tmp/from_scwrl_1840561325.pdb > /var/tmp/scwrl_1840561325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840561325.pdb Number of alignments=532 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 215 :FGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTM 3ckcA 291 :VKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAKLNE 3ckcA 376 :KAAGDDRALLYSGVGGGRRKI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 397 :QTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 365 :ASAYYKKAIRAH 3ckcA 456 :ATGDINELRKRA T0532 378 :EF 3ckcA 468 :NC T0532 412 :LSGEKEADIEKILTQRYLASFM 3ckcA 470 :TRKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN Number of specific fragments extracted= 15 number of extra gaps= 0 total=6992 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1395685507.pdb -s /var/tmp/to_scwrl_1395685507.seq -o /var/tmp/from_scwrl_1395685507.pdb > /var/tmp/scwrl_1395685507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1395685507.pdb Number of alignments=533 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSND T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 183 :LPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 215 :FGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3ckcA 286 :IRQDGVKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAKL 3ckcA 376 :KAAGDDRALLYSGVGGGRR T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 395 :KIQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 367 :AYYKKAIRAHMEFIASNTPD 3ckcA 457 :TGDINELRKRANCTRKVQTV T0532 419 :DIEKILTQRYLASFM 3ckcA 477 :TEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN Number of specific fragments extracted= 14 number of extra gaps= 0 total=7006 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1145204607.pdb -s /var/tmp/to_scwrl_1145204607.seq -o /var/tmp/from_scwrl_1145204607.pdb > /var/tmp/scwrl_1145204607.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1145204607.pdb Number of alignments=534 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAPF T0532 185 :GSIS 3ckcA 216 :GRAD T0532 191 :KKATTAFQLKVLMHLS 3ckcA 220 :KAANWLLRARLYLNAG T0532 207 :KKESDADLKVKERFAR 3ckcA 240 :QTDYAKAEEYASKVIG T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ckcA 256 :SAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3ckcA 286 :IRQDGVKTRNYGGSTYLVCGT T0532 273 :KATGDIRMFYYAKPAKAK 3ckcA 376 :KAAGDDRALLYSGVGGGR T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ckcA 395 :KIQTDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGG T0532 364 :DASAYYKKAIRAH 3ckcA 455 :DATGDINELRKRA T0532 407 :TPAIQLSGEKE 3ckcA 468 :NCTRKVQTVTE T0532 421 :EKILTQRYLASFM 3ckcA 479 :QELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYN 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNN Number of specific fragments extracted= 17 number of extra gaps= 0 total=7023 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1323529847.pdb -s /var/tmp/to_scwrl_1323529847.seq -o /var/tmp/from_scwrl_1323529847.pdb > /var/tmp/scwrl_1323529847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1323529847.pdb Number of alignments=535 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSNDLP T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDF 3ckcA 185 :VEKKGTELYTYIQNELNEIEADMYEPRQA T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 214 :PFGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 253 :NTNTKHAGYAMLSTMLIDKF 3ckcA 281 :EIILPIRQDGVKTRNYGGST T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :DA 3ckcA 457 :TG T0532 369 :YKKAIRAHMEFIASN 3ckcA 459 :DINELRKRANCTRKV T0532 416 :KEADIEKILTQRYLASFM 3ckcA 474 :QTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNR Number of specific fragments extracted= 15 number of extra gaps= 0 total=7038 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1119858493.pdb -s /var/tmp/to_scwrl_1119858493.seq -o /var/tmp/from_scwrl_1119858493.pdb > /var/tmp/scwrl_1119858493.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119858493.pdb Number of alignments=536 # 3ckcA read from all-align.a2m # found chain 3ckcA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ckcA)S41 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ckcA)D70 Warning: unaligning (T0532)L64 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ckcA)D70 T0532 36 :VTSSLLATGLLLDITSS 3ckcA 42 :FDQQGVFVKGYAMLGVT T0532 65 :AKQM 3ckcA 71 :GQDE T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ckcA 106 :QLTSISWSPSSQRTEWVYVRLGYDITQYNFFLDQT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ckcA 144 :TDAETLRQRAEIRFLRALHYWYFLDLFGKAPFKEHFSN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3ckcA 182 :DLPVEKKGTELYTYIQNELNEIEADMYEPRQAP T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3ckcA 215 :FGRADKAANWLLRARLYLNAGVYTGQTDYAKAEEYASKVI T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ckcA 255 :GSAYKLCTNYSELFMADNDENENAM T0532 252 :HNTNTKHAGYAMLSTML 3ckcA 286 :IRQDGVKTRNYGGSTYL T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3ckcA 376 :KAAGDDRALLYSGVGGGRRKIQ T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ckcA 398 :TDAISGFTDGLSIVKWQNYRSDGKPVSHATYPDTDIPLFRLAEAYLTRAEAIFRQGGD T0532 364 :D 3ckcA 457 :T T0532 367 :A 3ckcA 458 :G T0532 369 :YKKAIRAHMEFI 3ckcA 459 :DINELRKRANCT T0532 413 :SGEKEADIEKILTQRYLASFM 3ckcA 471 :RKVQTVTEQELIDEWAREFYL T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ckcA 492 :EGRRRSDLVRFGMFTTNKYLWD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ckcA 519 :MNGTSVASYYNKYPIPVSDINNNRN Number of specific fragments extracted= 16 number of extra gaps= 0 total=7054 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1438235760.pdb -s /var/tmp/to_scwrl_1438235760.seq -o /var/tmp/from_scwrl_1438235760.pdb > /var/tmp/scwrl_1438235760.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438235760.pdb Number of alignments=537 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 1 :MK 3ehmA 58 :SG T0532 6 :KYISLLLATALL 3ehmA 60 :NYIGYFGNNNNW T0532 68 :MAWGESMEDYQYNVFGRSGFGGYTTL 3ehmA 72 :GFNNEANWNFTDSRMNYAYQNFYSQI T0532 94 :INAQKMVE 3ehmA 99 :LPWNEIYE T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 110 :DSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 142 :E 3ehmA 148 :D T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 149 :GSIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFI T0532 211 :DAD 3ehmA 217 :DET T0532 215 :KVKERFARIVASG 3ehmA 220 :LAKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNT 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSMLASVN T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3ehmA 264 :EYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGS T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ehmA 298 :GSWAQTGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGV T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAIQLSGEK 3ehmA 380 :SGVATYLSGTGKPTGLTGSNYKYGTYNHDLSI T0532 417 :EADIEKILTQRYLASFMQ 3ehmA 429 :EEQLQKIITQKYLALYPN T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ehmA 447 :AVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNP T0532 483 :HQNEALER 3ehmA 499 :NMAEIPTL T0532 492 :FGGVDDVNKLMWILQ 3ehmA 507 :LGGGDIGATKLWWVR Number of specific fragments extracted= 19 number of extra gaps= 0 total=7073 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_670821902.pdb -s /var/tmp/to_scwrl_670821902.seq -o /var/tmp/from_scwrl_670821902.pdb > /var/tmp/scwrl_670821902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_670821902.pdb Number of alignments=538 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 1 :MK 3ehmA 58 :SG T0532 6 :KYISLL 3ehmA 60 :NYIGYF T0532 68 :MAWGESMEDYQYNVFGRSGFGGYTTL 3ehmA 72 :GFNNEANWNFTDSRMNYAYQNFYSQI T0532 94 :INAQKMVE 3ehmA 99 :LPWNEIYE T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 110 :DSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 142 :E 3ehmA 148 :D T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 149 :GSIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFI T0532 212 :AD 3ehmA 218 :ET T0532 215 :KVKERFARIVASG 3ehmA 220 :LAKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSM T0532 252 :HN 3ehmA 262 :VN T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3ehmA 264 :EYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGS T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ehmA 298 :GSWAQTGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGV T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAIQLSGEK 3ehmA 380 :SGVATYLSGTGKPTGLTGSNYKYGTYNHDLSI T0532 417 :EADIEKILTQRYLASFMQ 3ehmA 429 :EEQLQKIITQKYLALYPN T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ehmA 447 :AVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPN T0532 483 :HQNEAL 3ehmA 501 :AEIPTL T0532 492 :FGGVDDVNKLMWILQ 3ehmA 507 :LGGGDIGATKLWWVR Number of specific fragments extracted= 20 number of extra gaps= 0 total=7093 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1315504938.pdb -s /var/tmp/to_scwrl_1315504938.seq -o /var/tmp/from_scwrl_1315504938.pdb > /var/tmp/scwrl_1315504938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315504938.pdb Number of alignments=539 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 1 :MK 3ehmA 58 :SG T0532 6 :KYISLLLATALL 3ehmA 60 :NYIGYFGNNNNW T0532 68 :MAWGESMEDYQYNVFGRSGFGGYTTL 3ehmA 72 :GFNNEANWNFTDSRMNYAYQNFYSQI T0532 94 :INAQKMVE 3ehmA 99 :LPWNEIYE T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 110 :DSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 142 :E 3ehmA 148 :D T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 149 :GSIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFI T0532 211 :DAD 3ehmA 217 :DET T0532 215 :KVKERFARIVASG 3ehmA 220 :LAKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNT 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSMLASVN T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3ehmA 264 :EYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGS T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ehmA 298 :GSWAQTGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGV T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAIQLSGEK 3ehmA 380 :SGVATYLSGTGKPTGLTGSNYKYGTYNHDLSI T0532 417 :EADIEKILTQRYLASFMQ 3ehmA 429 :EEQLQKIITQKYLALYPN T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ehmA 447 :AVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNP T0532 483 :HQNEALER 3ehmA 499 :NMAEIPTL T0532 492 :FGGVDDVNKLMW 3ehmA 507 :LGGGDIGATKLW Number of specific fragments extracted= 19 number of extra gaps= 0 total=7112 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_496168803.pdb -s /var/tmp/to_scwrl_496168803.seq -o /var/tmp/from_scwrl_496168803.pdb > /var/tmp/scwrl_496168803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496168803.pdb Number of alignments=540 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 3 :RINKYISLLLATALL 3ehmA 57 :SSGNYIGYFGNNNNW T0532 68 :MAWGESMEDYQYNVFGRSGFGGYTTL 3ehmA 72 :GFNNEANWNFTDSRMNYAYQNFYSQI T0532 94 :INAQKMVE 3ehmA 99 :LPWNEIYE T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 110 :DSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 142 :E 3ehmA 148 :D T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 149 :GSIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFI T0532 212 :AD 3ehmA 218 :ET T0532 215 :KVKERFARIVASG 3ehmA 220 :LAKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSM T0532 252 :HN 3ehmA 262 :VN T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKL 3ehmA 264 :EYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGS T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ehmA 298 :GSWAQTGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGV T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAIQLSGEK 3ehmA 380 :SGVATYLSGTGKPTGLTGSNYKYGTYNHDLSI T0532 417 :EADIEKILTQRYLASFMQ 3ehmA 429 :EEQLQKIITQKYLALYPN T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ehmA 447 :AVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPN T0532 483 :HQNEAL 3ehmA 501 :AEIPTL T0532 492 :FGGVDDVNKLMW 3ehmA 507 :LGGGDIGATKLW Number of specific fragments extracted= 19 number of extra gaps= 0 total=7131 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_34183205.pdb -s /var/tmp/to_scwrl_34183205.seq -o /var/tmp/from_scwrl_34183205.pdb > /var/tmp/scwrl_34183205.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34183205.pdb Number of alignments=541 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSS 3ehmA 21 :LKYGARFMNMQQ T0532 53 :SASKSFIYDELLAKQMAWGESM 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNN T0532 75 :EDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 83 :DSRMNYAYQNFYSQIFLPWNEIYEIAKDSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKAL T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 230 :DPKNGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQT T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHP 3ehmA 304 :GYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKP T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 408 :DLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDEAAP T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ehmA 478 :IEDCRVPERFRFAPTAYNSNPNMAEIPTLLGGG T0532 496 :DDVNKLMWILQ 3ehmA 511 :DIGATKLWWVR Number of specific fragments extracted= 12 number of extra gaps= 0 total=7143 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1722463646.pdb -s /var/tmp/to_scwrl_1722463646.seq -o /var/tmp/from_scwrl_1722463646.pdb > /var/tmp/scwrl_1722463646.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722463646.pdb Number of alignments=542 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSS 3ehmA 21 :LKYGARFMNMQQ T0532 53 :SASKSFIYDELLAKQMAWGESM 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNN T0532 75 :EDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 83 :DSRMNYAYQNFYSQIFLPWNEIYEIAKDSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKAL T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 230 :DPKNGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQT T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPI 3ehmA 304 :GYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPT T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 409 :LSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDEAAP T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ehmA 478 :IEDCRVPERFRFAPTAYNSNPNMAEIPTLLGGG T0532 496 :DDVNKLMWILQ 3ehmA 511 :DIGATKLWWVR Number of specific fragments extracted= 12 number of extra gaps= 0 total=7155 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_9192835.pdb -s /var/tmp/to_scwrl_9192835.seq -o /var/tmp/from_scwrl_9192835.pdb > /var/tmp/scwrl_9192835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_9192835.pdb Number of alignments=543 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSS 3ehmA 21 :LKYGARFMNMQQ T0532 53 :SASKSFIYDELLAKQMAWGESM 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNN T0532 75 :EDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 83 :DSRMNYAYQNFYSQIFLPWNEIYEIAKDSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKAL T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 230 :DPKNGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQT T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHP 3ehmA 304 :GYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKP T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 408 :DLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDEAAP T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ehmA 478 :IEDCRVPERFRFAPTAYNSNPNMAEIPTLLGGG T0532 496 :DDVNKLMW 3ehmA 511 :DIGATKLW Number of specific fragments extracted= 12 number of extra gaps= 0 total=7167 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_903038324.pdb -s /var/tmp/to_scwrl_903038324.seq -o /var/tmp/from_scwrl_903038324.pdb > /var/tmp/scwrl_903038324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_903038324.pdb Number of alignments=544 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSS 3ehmA 21 :LKYGARFMNMQQ T0532 53 :SASKSFIYDELLAKQMAWGESM 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNN T0532 75 :EDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 83 :DSRMNYAYQNFYSQIFLPWNEIYEIAKDSDSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFA 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKAL T0532 223 :IVASGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 230 :DPKNGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQT T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPI 3ehmA 304 :GYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPT T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 409 :LSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDEAAP T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ehmA 478 :IEDCRVPERFRFAPTAYNSNPNMAEIPTLLGGG T0532 496 :DDVNKLMW 3ehmA 511 :DIGATKLW Number of specific fragments extracted= 12 number of extra gaps= 0 total=7179 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_804691990.pdb -s /var/tmp/to_scwrl_804691990.seq -o /var/tmp/from_scwrl_804691990.pdb > /var/tmp/scwrl_804691990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_804691990.pdb Number of alignments=545 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLETPAIQLS 3ehmA 321 :YSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYKYGTYNHDLS T0532 414 :GEKEADIEKILTQRYLA 3ehmA 426 :SKQEEQLQKIITQKYLA T0532 432 :FMQHPYDVYYDYRRTGYPVL 3ehmA 443 :LYPNAVEAWTEYRRTGFPYL Number of specific fragments extracted= 3 number of extra gaps= 0 total=7182 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1115114612.pdb -s /var/tmp/to_scwrl_1115114612.seq -o /var/tmp/from_scwrl_1115114612.pdb > /var/tmp/scwrl_1115114612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1115114612.pdb Number of alignments=546 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 71 :GESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNV 3ehmA 82 :TDSRMNYAYQNFYSQIFLPWNEIYEIAKDSDSPSEQAI T0532 112 :DGLAHFIKAYKIFYMSMEMGDLPYEEALQGE 3ehmA 120 :LEIANIVRNIAWLRATDVFGPIAYNSAGDGS T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3ehmA 151 :IAPKFDSQEVVYRSMLADLSKSVELLNTISY T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3ehmA 185 :AQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDET T0532 215 :KVKERFARIV 3ehmA 220 :LAKEYITKAL T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTML 3ehmA 232 :KNGGVIEDISSEAKIKSSDKMPLLNSMLASVNEYNETRMGATIW T0532 270 :DKFKATGDI 3ehmA 276 :GYLDGYKDP T0532 286 :PAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3ehmA 285 :RLSAYFTEGTYGSGSWAQTGYFPVAPTNSK T0532 318 :AYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHME 3ehmA 315 :SKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQ T0532 380 :IASNTPDE 3ehmA 385 :YLSGTGKP T0532 388 :EVYHHGHPITEEA 3ehmA 403 :GTYNHDLSIGNTS T0532 403 :AFLETPAIQL 3ehmA 416 :PKWDDYTGNL T0532 414 :GEKEADIEKILTQRYLASF 3ehmA 426 :SKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVL 3ehmA 445 :PNAVEAWTEYRRTGFPYL T0532 452 :PINPATNR 3ehmA 465 :PMDEAAPG T0532 460 :NTMNDRLPMRWMYPKS 3ehmA 477 :SIEDCRVPERFRFAPT T0532 478 :DYNLEHQNEALERQFGGVD 3ehmA 493 :AYNSNPNMAEIPTLLGGGD T0532 497 :DVNKLMW 3ehmA 513 :GATKLWW Number of specific fragments extracted= 18 number of extra gaps= 0 total=7200 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1205777512.pdb -s /var/tmp/to_scwrl_1205777512.seq -o /var/tmp/from_scwrl_1205777512.pdb > /var/tmp/scwrl_1205777512.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1205777512.pdb Number of alignments=547 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L505 because last residue in template chain is (3ehmA)N529 T0532 39 :SLLATGLLLDIT 3ehmA 24 :GARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLI 3ehmA 94 :YSQIF T0532 95 :NAQKMVESV 3ehmA 100 :PWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMW 3ehmA 502 :EIPTLLGGGDIGATKLW T0532 504 :I 3ehmA 528 :P Number of specific fragments extracted= 20 number of extra gaps= 0 total=7220 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1619559149.pdb -s /var/tmp/to_scwrl_1619559149.seq -o /var/tmp/from_scwrl_1619559149.pdb > /var/tmp/scwrl_1619559149.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1619559149.pdb Number of alignments=548 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 44 :TGPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQNEA 3ehmA 483 :VPERFRFAPTAYNSNPNMAEIP T0532 490 :RQFGGVDDVNKLMWILQ 3ehmA 505 :TLLGGGDIGATKLWWVR Number of specific fragments extracted= 17 number of extra gaps= 0 total=7237 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_906709835.pdb -s /var/tmp/to_scwrl_906709835.seq -o /var/tmp/from_scwrl_906709835.pdb > /var/tmp/scwrl_906709835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_906709835.pdb Number of alignments=549 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 46 :PGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 454 :NPATNRNTMNDR 3ehmA 469 :AAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQNEA 3ehmA 483 :VPERFRFAPTAYNSNPNMAEIP T0532 490 :RQFGGVDDVNKLMW 3ehmA 505 :TLLGGGDIGATKLW Number of specific fragments extracted= 18 number of extra gaps= 0 total=7255 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_792714845.pdb -s /var/tmp/to_scwrl_792714845.seq -o /var/tmp/from_scwrl_792714845.pdb > /var/tmp/scwrl_792714845.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_792714845.pdb Number of alignments=550 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 44 :TGPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAAPGRIGA T0532 466 :LPMRWMYPKSESDYNLEHQNEA 3ehmA 483 :VPERFRFAPTAYNSNPNMAEIP T0532 490 :RQFGGVDDVNKLMW 3ehmA 505 :TLLGGGDIGATKLW Number of specific fragments extracted= 17 number of extra gaps= 0 total=7272 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_105893435.pdb -s /var/tmp/to_scwrl_105893435.seq -o /var/tmp/from_scwrl_105893435.pdb > /var/tmp/scwrl_105893435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_105893435.pdb Number of alignments=551 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 44 :TGPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMW 3ehmA 502 :EIPTLLGGGDIGATKLW Number of specific fragments extracted= 18 number of extra gaps= 0 total=7290 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1553056963.pdb -s /var/tmp/to_scwrl_1553056963.seq -o /var/tmp/from_scwrl_1553056963.pdb > /var/tmp/scwrl_1553056963.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1553056963.pdb Number of alignments=552 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSF 3ehmA 48 :NDLQNTDL T0532 63 :LLAKQMAWGESMEDYQY 3ehmA 56 :ISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAA T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7308 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_612377682.pdb -s /var/tmp/to_scwrl_612377682.seq -o /var/tmp/from_scwrl_612377682.pdb > /var/tmp/scwrl_612377682.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_612377682.pdb Number of alignments=553 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 47 :GNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7326 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_262742105.pdb -s /var/tmp/to_scwrl_262742105.seq -o /var/tmp/from_scwrl_262742105.pdb > /var/tmp/scwrl_262742105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262742105.pdb Number of alignments=554 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 39 :SLLATGLLLDIT 3ehmA 24 :GARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLI 3ehmA 94 :YSQIF T0532 95 :NAQKMVESV 3ehmA 100 :PWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVASG 3ehmA 221 :AKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 454 :NPATNRNTMNDR 3ehmA 469 :AAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQN 3ehmA 483 :VPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 18 number of extra gaps= 0 total=7344 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1749919922.pdb -s /var/tmp/to_scwrl_1749919922.seq -o /var/tmp/from_scwrl_1749919922.pdb > /var/tmp/scwrl_1749919922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1749919922.pdb Number of alignments=555 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)T34 because first residue in template chain is (3ehmA)P20 Warning: unaligning (T0532)L505 because last residue in template chain is (3ehmA)N529 T0532 35 :K 3ehmA 21 :L T0532 37 :TSSLLATGLLLDIT 3ehmA 22 :KYGARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLI 3ehmA 94 :YSQIF T0532 95 :NAQKMVESV 3ehmA 100 :PWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMW 3ehmA 502 :EIPTLLGGGDIGATKLW T0532 504 :I 3ehmA 528 :P Number of specific fragments extracted= 21 number of extra gaps= 0 total=7365 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_865475868.pdb -s /var/tmp/to_scwrl_865475868.seq -o /var/tmp/from_scwrl_865475868.pdb > /var/tmp/scwrl_865475868.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_865475868.pdb Number of alignments=556 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ehmA)P20 T0532 36 :VTSSLLATGLLLDIT 3ehmA 21 :LKYGARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTT 3ehmA 94 :YSQ T0532 93 :LINAQKMVESV 3ehmA 98 :FLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVASG 3ehmA 221 :AKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPI 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPT T0532 397 :TEEAIAA 3ehmA 396 :TGSNYKY T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAA T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMW 3ehmA 502 :EIPTLLGGGDIGATKLW Number of specific fragments extracted= 19 number of extra gaps= 0 total=7384 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1178267726.pdb -s /var/tmp/to_scwrl_1178267726.seq -o /var/tmp/from_scwrl_1178267726.pdb > /var/tmp/scwrl_1178267726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1178267726.pdb Number of alignments=557 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 46 :PGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAA T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQN 3ehmA 483 :VPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7402 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1724457333.pdb -s /var/tmp/to_scwrl_1724457333.seq -o /var/tmp/from_scwrl_1724457333.pdb > /var/tmp/scwrl_1724457333.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724457333.pdb Number of alignments=558 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L505 because last residue in template chain is (3ehmA)N529 T0532 39 :SLLATGLLLDIT 3ehmA 24 :GARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESME 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMW 3ehmA 502 :EIPTLLGGGDIGATKLW T0532 504 :I 3ehmA 528 :P Number of specific fragments extracted= 19 number of extra gaps= 0 total=7421 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1915521983.pdb -s /var/tmp/to_scwrl_1915521983.seq -o /var/tmp/from_scwrl_1915521983.pdb > /var/tmp/scwrl_1915521983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1915521983.pdb Number of alignments=559 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 39 :SLLATGLLLDIT 3ehmA 24 :GARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLI 3ehmA 94 :YSQIF T0532 95 :NAQKMVESV 3ehmA 100 :PWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWIL 3ehmA 502 :EIPTLLGGGDIGATKLWWV Number of specific fragments extracted= 19 number of extra gaps= 0 total=7440 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1741840893.pdb -s /var/tmp/to_scwrl_1741840893.seq -o /var/tmp/from_scwrl_1741840893.pdb > /var/tmp/scwrl_1741840893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1741840893.pdb Number of alignments=560 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 44 :TGPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQNEA 3ehmA 483 :VPERFRFAPTAYNSNPNMAEIP T0532 490 :RQFGGVDDVNKLMWILQ 3ehmA 505 :TLLGGGDIGATKLWWVR Number of specific fragments extracted= 17 number of extra gaps= 0 total=7457 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1682673564.pdb -s /var/tmp/to_scwrl_1682673564.seq -o /var/tmp/from_scwrl_1682673564.pdb > /var/tmp/scwrl_1682673564.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1682673564.pdb Number of alignments=561 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 45 :GPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 454 :NPATNRNTMNDR 3ehmA 469 :AAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQNEA 3ehmA 483 :VPERFRFAPTAYNSNPNMAEIP T0532 490 :RQFGGVDDVNKLMWIL 3ehmA 505 :TLLGGGDIGATKLWWV Number of specific fragments extracted= 18 number of extra gaps= 0 total=7475 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_375897545.pdb -s /var/tmp/to_scwrl_375897545.seq -o /var/tmp/from_scwrl_375897545.pdb > /var/tmp/scwrl_375897545.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375897545.pdb Number of alignments=562 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 44 :TGPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTMNDR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAAPGRIGA T0532 466 :LPMRWMYPKSESDYNLEHQNEA 3ehmA 483 :VPERFRFAPTAYNSNPNMAEIP T0532 490 :RQFGGVDDVNKLMWIL 3ehmA 505 :TLLGGGDIGATKLWWV Number of specific fragments extracted= 17 number of extra gaps= 0 total=7492 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1434918571.pdb -s /var/tmp/to_scwrl_1434918571.seq -o /var/tmp/from_scwrl_1434918571.pdb > /var/tmp/scwrl_1434918571.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1434918571.pdb Number of alignments=563 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 44 :TGPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQL 3ehmA 413 :NTSPKWDD T0532 413 :SGEKEADIEKILTQRYLASF 3ehmA 425 :LSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7510 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_930875425.pdb -s /var/tmp/to_scwrl_930875425.seq -o /var/tmp/from_scwrl_930875425.pdb > /var/tmp/scwrl_930875425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_930875425.pdb Number of alignments=564 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 51 :SSSASKSF 3ehmA 48 :NDLQNTDL T0532 63 :LLAKQMAWGESMEDYQY 3ehmA 56 :ISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAA T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7528 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1521102153.pdb -s /var/tmp/to_scwrl_1521102153.seq -o /var/tmp/from_scwrl_1521102153.pdb > /var/tmp/scwrl_1521102153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1521102153.pdb Number of alignments=565 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 47 :GNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 453 :INPATNRNTMNDR 3ehmA 468 :EAAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7546 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_610964772.pdb -s /var/tmp/to_scwrl_610964772.seq -o /var/tmp/from_scwrl_610964772.pdb > /var/tmp/scwrl_610964772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_610964772.pdb Number of alignments=566 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 39 :SLLATGLLLDIT 3ehmA 24 :GARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLI 3ehmA 94 :YSQIF T0532 95 :NAQKMVESV 3ehmA 100 :PWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVASG 3ehmA 221 :AKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 454 :NPATNRNTMNDR 3ehmA 469 :AAPGRIGASIED T0532 466 :LPMRWMYPKSESDYNLEHQN 3ehmA 483 :VPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7564 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2050733918.pdb -s /var/tmp/to_scwrl_2050733918.seq -o /var/tmp/from_scwrl_2050733918.pdb > /var/tmp/scwrl_2050733918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2050733918.pdb Number of alignments=567 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)T34 because first residue in template chain is (3ehmA)P20 T0532 35 :K 3ehmA 21 :L T0532 37 :TSSLLATGLLLDIT 3ehmA 22 :KYGARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLI 3ehmA 94 :YSQIF T0532 95 :NAQKMVESV 3ehmA 100 :PWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 20 number of extra gaps= 0 total=7584 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_811854267.pdb -s /var/tmp/to_scwrl_811854267.seq -o /var/tmp/from_scwrl_811854267.pdb > /var/tmp/scwrl_811854267.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811854267.pdb Number of alignments=568 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ehmA)P20 T0532 36 :VTSSLLATGLLLDIT 3ehmA 21 :LKYGARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWGFNNE T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTT 3ehmA 94 :YSQ T0532 93 :LINAQKMVESV 3ehmA 98 :FLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYS T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 186 :QYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVASG 3ehmA 221 :AKEYITKALDPK T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 235 :GVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPI 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPT T0532 397 :TEEAIAA 3ehmA 396 :TGSNYKY T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3ehmA 417 :KWDDYTGNLSKQEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAA T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 19 number of extra gaps= 0 total=7603 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1281786674.pdb -s /var/tmp/to_scwrl_1281786674.seq -o /var/tmp/from_scwrl_1281786674.pdb > /var/tmp/scwrl_1281786674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281786674.pdb Number of alignments=569 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDIT 3ehmA 21 :LKYGARFMNM T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3ehmA 45 :GPGNDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNR 3ehmA 445 :PNAVEAWTEYRRTGFPYLMKPMDEAA T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQN 3ehmA 483 :VPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7621 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1218755209.pdb -s /var/tmp/to_scwrl_1218755209.seq -o /var/tmp/from_scwrl_1218755209.pdb > /var/tmp/scwrl_1218755209.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1218755209.pdb Number of alignments=570 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 39 :SLLATGLLLDIT 3ehmA 24 :GARFMNMQQRVI T0532 51 :SSSASKSFIYDELLAKQMAWGESME 3ehmA 48 :NDLQNTDLISSGNYIGYFGNNNNWG T0532 80 :NVFGRSGFGG 3ehmA 83 :DSRMNYAYQN T0532 90 :YTTLINAQKMVESV 3ehmA 94 :YSQIFLPWNEIYEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3ehmA 148 :DGSIAPKFDSQEVVYRSMLADLSKSVELLNTISYSVM T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ehmA 188 :DLIYNGNVQNWVKLANSLMLRIVVRVHFIDETL T0532 216 :VKERFARIVA 3ehmA 221 :AKEYITKALD T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTK 3ehmA 233 :NGGVIEDISSEAKIKSSDKMPLLNSMLASVNE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 265 :YNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFN 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPK T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAF 3ehmA 331 :VDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYLSGTGKPTGLTGSNYK T0532 405 :LETPAIQLSGE 3ehmA 413 :NTSPKWDDYTG T0532 416 :KEADIEKILTQRYLASF 3ehmA 428 :QEEQLQKIITQKYLALY T0532 434 :QHPYDVYYDYRRTGYPVLP 3ehmA 445 :PNAVEAWTEYRRTGFPYLM T0532 460 :NTMNDR 3ehmA 475 :GASIED T0532 466 :LPMRWMYPKSESDYNLEHQ 3ehmA 483 :VPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 18 number of extra gaps= 0 total=7639 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1308023069.pdb -s /var/tmp/to_scwrl_1308023069.seq -o /var/tmp/from_scwrl_1308023069.pdb > /var/tmp/scwrl_1308023069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1308023069.pdb Number of alignments=571 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQT T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 304 :GYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWI 3ehmA 503 :IPTLLGGGDIGATKLWW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7652 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1315969879.pdb -s /var/tmp/to_scwrl_1315969879.seq -o /var/tmp/from_scwrl_1315969879.pdb > /var/tmp/scwrl_1315969879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1315969879.pdb Number of alignments=572 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 402 :YGTYNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7665 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_793735210.pdb -s /var/tmp/to_scwrl_793735210.seq -o /var/tmp/from_scwrl_793735210.pdb > /var/tmp/scwrl_793735210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_793735210.pdb Number of alignments=573 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 400 :AIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 412 :GNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7678 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1317215904.pdb -s /var/tmp/to_scwrl_1317215904.seq -o /var/tmp/from_scwrl_1317215904.pdb > /var/tmp/scwrl_1317215904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1317215904.pdb Number of alignments=574 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 400 :AIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 412 :GNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMWILQ 3ehmA 502 :EIPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7691 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_71524556.pdb -s /var/tmp/to_scwrl_71524556.seq -o /var/tmp/from_scwrl_71524556.pdb > /var/tmp/scwrl_71524556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71524556.pdb Number of alignments=575 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3ehmA 421 :YTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7704 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1598427199.pdb -s /var/tmp/to_scwrl_1598427199.seq -o /var/tmp/from_scwrl_1598427199.pdb > /var/tmp/scwrl_1598427199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598427199.pdb Number of alignments=576 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 392 :HGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 404 :TYNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7717 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_284846870.pdb -s /var/tmp/to_scwrl_284846870.seq -o /var/tmp/from_scwrl_284846870.pdb > /var/tmp/scwrl_284846870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_284846870.pdb Number of alignments=577 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 395 :PITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 407 :HDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7730 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1277302068.pdb -s /var/tmp/to_scwrl_1277302068.seq -o /var/tmp/from_scwrl_1277302068.pdb > /var/tmp/scwrl_1277302068.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277302068.pdb Number of alignments=578 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLD 3ehmA 21 :LKYGARFM T0532 51 :SSSASKSFIYDELLAKQM 3ehmA 29 :NMQQRVIPIGSPSLTTGP T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNS T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 314 :KSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 14 number of extra gaps= 0 total=7744 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1070502703.pdb -s /var/tmp/to_scwrl_1070502703.seq -o /var/tmp/from_scwrl_1070502703.pdb > /var/tmp/scwrl_1070502703.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070502703.pdb Number of alignments=579 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNT T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 306 :TDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 413 :NTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7757 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1191556705.pdb -s /var/tmp/to_scwrl_1191556705.seq -o /var/tmp/from_scwrl_1191556705.pdb > /var/tmp/scwrl_1191556705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191556705.pdb Number of alignments=580 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNT T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 69 :NNWGFNNEANWNFTDSRMNYAY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFE 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNSKSKSET T0532 323 :QYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 320 :SYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNP T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7770 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2070016913.pdb -s /var/tmp/to_scwrl_2070016913.seq -o /var/tmp/from_scwrl_2070016913.pdb > /var/tmp/scwrl_2070016913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2070016913.pdb Number of alignments=581 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 393 :GHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 405 :YNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWILQ 3ehmA 503 :IPTLLGGGDIGATKLWWVR Number of specific fragments extracted= 13 number of extra gaps= 0 total=7783 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1176396137.pdb -s /var/tmp/to_scwrl_1176396137.seq -o /var/tmp/from_scwrl_1176396137.pdb > /var/tmp/scwrl_1176396137.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176396137.pdb Number of alignments=582 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 408 :DLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMWI 3ehmA 503 :IPTLLGGGDIGATKLWW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7796 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_597130022.pdb -s /var/tmp/to_scwrl_597130022.seq -o /var/tmp/from_scwrl_597130022.pdb > /var/tmp/scwrl_597130022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_597130022.pdb Number of alignments=583 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQT T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 304 :GYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7809 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_534910948.pdb -s /var/tmp/to_scwrl_534910948.seq -o /var/tmp/from_scwrl_534910948.pdb > /var/tmp/scwrl_534910948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_534910948.pdb Number of alignments=584 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 402 :YGTYNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7822 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1439138242.pdb -s /var/tmp/to_scwrl_1439138242.seq -o /var/tmp/from_scwrl_1439138242.pdb > /var/tmp/scwrl_1439138242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1439138242.pdb Number of alignments=585 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 400 :AIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 412 :GNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7835 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_199566297.pdb -s /var/tmp/to_scwrl_199566297.seq -o /var/tmp/from_scwrl_199566297.pdb > /var/tmp/scwrl_199566297.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_199566297.pdb Number of alignments=586 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 400 :AIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 412 :GNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMA T0532 487 :ALERQFGGVDDVNKLMW 3ehmA 502 :EIPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7848 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1400386815.pdb -s /var/tmp/to_scwrl_1400386815.seq -o /var/tmp/from_scwrl_1400386815.pdb > /var/tmp/scwrl_1400386815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1400386815.pdb Number of alignments=587 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3ehmA 421 :YTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7861 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_469922322.pdb -s /var/tmp/to_scwrl_469922322.seq -o /var/tmp/from_scwrl_469922322.pdb > /var/tmp/scwrl_469922322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_469922322.pdb Number of alignments=588 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 392 :HGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 404 :TYNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7874 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1924023630.pdb -s /var/tmp/to_scwrl_1924023630.seq -o /var/tmp/from_scwrl_1924023630.pdb > /var/tmp/scwrl_1924023630.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1924023630.pdb Number of alignments=589 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 395 :PITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 407 :HDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7887 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1168425151.pdb -s /var/tmp/to_scwrl_1168425151.seq -o /var/tmp/from_scwrl_1168425151.pdb > /var/tmp/scwrl_1168425151.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1168425151.pdb Number of alignments=590 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLD 3ehmA 21 :LKYGARFM T0532 51 :SSSASKSFIYDELLAKQM 3ehmA 29 :NMQQRVIPIGSPSLTTGP T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNS T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 314 :KSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 14 number of extra gaps= 0 total=7901 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_64279568.pdb -s /var/tmp/to_scwrl_64279568.seq -o /var/tmp/from_scwrl_64279568.pdb > /var/tmp/scwrl_64279568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_64279568.pdb Number of alignments=591 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNT T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQ T0532 306 :TDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 303 :TGYFPVAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 413 :NTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7914 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1459213547.pdb -s /var/tmp/to_scwrl_1459213547.seq -o /var/tmp/from_scwrl_1459213547.pdb > /var/tmp/scwrl_1459213547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1459213547.pdb Number of alignments=592 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGNDLQNT T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 69 :NNWGFNNEANWNFTDSRMNYAY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFE 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFPVAPTNSKSKSET T0532 323 :QYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 320 :SYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 418 :WDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNP T0532 488 :LERQFGGVDDVNKLMWI 3ehmA 503 :IPTLLGGGDIGATKLWW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7927 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1544322697.pdb -s /var/tmp/to_scwrl_1544322697.seq -o /var/tmp/from_scwrl_1544322697.pdb > /var/tmp/scwrl_1544322697.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1544322697.pdb Number of alignments=593 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 393 :GHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 405 :YNHDLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7940 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1499198140.pdb -s /var/tmp/to_scwrl_1499198140.seq -o /var/tmp/from_scwrl_1499198140.pdb > /var/tmp/scwrl_1499198140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499198140.pdb Number of alignments=594 # 3ehmA read from all-align.a2m # found chain 3ehmA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ehmA)P20 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQM 3ehmA 21 :LKYGARFMNMQQRVIPIGSPSLTTGPGN T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3ehmA 73 :FNNEANWNFTDSRMNYAYQNFY T0532 91 :TTLINAQKMVESV 3ehmA 96 :QIFLPWNEIYEIA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ehmA 112 :DSPSEQAILEIANIVRNIAWLRATDVFGPIAYNSAGDG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3ehmA 150 :SIAPKFDSQEVVYRSMLADLSKSVELLNTI T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3ehmA 183 :VMAQYDLIYNGNVQNWVKLANSLMLRIVVRVHFIDETLAKEYITKALD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPF 3ehmA 231 :PKNGGVIEDISSEAKIKSSDKMPLLNSM T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3ehmA 259 :LASVNEYNETRMGATIWGYLDGYKDPRLSAYFTEGTYGSGSWAQTGYFP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEV 3ehmA 308 :VAPTNSKSKSETSYSAKFASRPKVDSNSPLYWFRASETYFLKAEAALYNLIGGDPKTFYEQGINISFQEQGVSGVATYL T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3ehmA 408 :DLSIGNTSPKWDDYTGNLSKQEEQLQKIITQKYLALYP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3ehmA 446 :NAVEAWTEYRRTGFPYLMKPMDE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3ehmA 475 :GASIEDCRVPERFRFAPTAYNSNPNMAE T0532 488 :LERQFGGVDDVNKLMW 3ehmA 503 :IPTLLGGGDIGATKLW Number of specific fragments extracted= 13 number of extra gaps= 0 total=7953 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_242605325.pdb -s /var/tmp/to_scwrl_242605325.seq -o /var/tmp/from_scwrl_242605325.pdb > /var/tmp/scwrl_242605325.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242605325.pdb Number of alignments=595 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 1 :MKRINKYISLL 3ejnA 85 :LRNVQKMGEEA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 96 :ERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNT 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQW T0532 260 :GYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGV 3ejnA 251 :SGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGK T0532 299 :SWDAYIGTDPSLPFEQIEKAYATE 3ejnA 287 :PIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASF T0532 392 :HGHPITEEAIAAFLETPAIQLS 3ejnA 369 :SFYETHAKDYAGYLNENAVAQY T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQF 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITRQF T0532 493 :GGVDDVNKLMWILQ 3ejnA 475 :AGNDKINQATWWQK Number of specific fragments extracted= 11 number of extra gaps= 0 total=7964 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_917941204.pdb -s /var/tmp/to_scwrl_917941204.seq -o /var/tmp/from_scwrl_917941204.pdb > /var/tmp/scwrl_917941204.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_917941204.pdb Number of alignments=596 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 1 :MKRINKYISLLLATALLASCDKFDEINTDPDATTKVT 3ejnA 32 :QTHPKLLLTQICMNAFKRGTDGMYATKKVIQADGESA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 96 :ERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHN 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFN T0532 260 :GYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGV 3ejnA 251 :SGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGK T0532 299 :SWDAYIGTDPSLPFEQIEKAYATE 3ejnA 287 :PIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASF T0532 392 :HGHPITEEAIAAFLETPAIQ 3ejnA 369 :SFYETHAKDYAGYLNENAVA T0532 412 :LS 3ejnA 398 :FT T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQF 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITRQF T0532 493 :GGVDDVNKLMWI 3ejnA 475 :AGNDKINQATWW T0532 505 :LQ 3ejnA 488 :KK Number of specific fragments extracted= 13 number of extra gaps= 0 total=7977 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2110162912.pdb -s /var/tmp/to_scwrl_2110162912.seq -o /var/tmp/from_scwrl_2110162912.pdb > /var/tmp/scwrl_2110162912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110162912.pdb Number of alignments=597 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNT 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQW T0532 260 :GYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGV 3ejnA 251 :SGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGK T0532 299 :SWDAYIGTDPSLPFEQIEKAYATE 3ejnA 287 :PIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASF T0532 392 :HGHPITEEAIAAFLETPAIQLS 3ejnA 369 :SFYETHAKDYAGYLNENAVAQY T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQF 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITRQF T0532 493 :GGVDDVNKLMW 3ejnA 475 :AGNDKINQATW Number of specific fragments extracted= 10 number of extra gaps= 0 total=7987 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_145855596.pdb -s /var/tmp/to_scwrl_145855596.seq -o /var/tmp/from_scwrl_145855596.pdb > /var/tmp/scwrl_145855596.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_145855596.pdb Number of alignments=598 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 79 :YNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 71 :YYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHN 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFN T0532 260 :GYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGV 3ejnA 251 :SGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGK T0532 299 :SWDAYIGTDPSLPFEQIEKAYATE 3ejnA 287 :PIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASF T0532 392 :HGHPITEEAIAAFLETPAIQ 3ejnA 369 :SFYETHAKDYAGYLNENAVA T0532 412 :LS 3ejnA 398 :FT T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQF 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITRQF T0532 493 :GGVDDVNKLMW 3ejnA 475 :AGNDKINQATW Number of specific fragments extracted= 11 number of extra gaps= 0 total=7998 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1729795470.pdb -s /var/tmp/to_scwrl_1729795470.seq -o /var/tmp/from_scwrl_1729795470.pdb > /var/tmp/scwrl_1729795470.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1729795470.pdb Number of alignments=599 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)F327 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQWSGY T0532 263 :MLSTMLIDKFKATGDIRMFYYAKPAKAK 3ejnA 254 :YMDDTFIQRMRERRDPRLFIFSAQTNKG T0532 294 :GVTADSWDAYIGTDPSLPFEQIEKAYATE 3ejnA 282 :KTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 328 :NARYTDYPSG 3ejnA 316 :SPINDRFRTD T0532 338 :EPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHP 3ejnA 329 :EPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNENA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 387 :VAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALER 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITR T0532 491 :QFGGVDDVNKLMWILQ 3ejnA 474 :GAGNDKINQATWWQKK Number of specific fragments extracted= 10 number of extra gaps= 0 total=8008 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1244465939.pdb -s /var/tmp/to_scwrl_1244465939.seq -o /var/tmp/from_scwrl_1244465939.pdb > /var/tmp/scwrl_1244465939.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1244465939.pdb Number of alignments=600 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 41 :LATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQWSGY T0532 263 :MLSTMLIDKFKATGDIRMFYYAKPAKAK 3ejnA 254 :YMDDTFIQRMRERRDPRLFIFSAQTNKG T0532 294 :GVTADSWDAYIGTDPSLPFEQIEKAYATE 3ejnA 282 :KTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHP 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNENA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 387 :VAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQ 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITRQ T0532 492 :FGGVDDVNKLMWILQ 3ejnA 475 :AGNDKINQATWWQKK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8017 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1364610806.pdb -s /var/tmp/to_scwrl_1364610806.seq -o /var/tmp/from_scwrl_1364610806.pdb > /var/tmp/scwrl_1364610806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1364610806.pdb Number of alignments=601 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)F327 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 45 :LLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 37 :LLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQWSGY T0532 263 :MLSTMLIDKFKATGDIRMFYYAKPAKAK 3ejnA 254 :YMDDTFIQRMRERRDPRLFIFSAQTNKG T0532 294 :GVTADSWDAYIGTDPSLPFEQIEKAYATE 3ejnA 282 :KTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 328 :NARYTDYPSG 3ejnA 316 :SPINDRFRTD T0532 338 :EPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHP 3ejnA 329 :EPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNENA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 387 :VAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQ 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITRQ T0532 492 :FGGVDDVNKLMW 3ejnA 474 :GAGNDKINQATW Number of specific fragments extracted= 10 number of extra gaps= 0 total=8027 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_890334893.pdb -s /var/tmp/to_scwrl_890334893.seq -o /var/tmp/from_scwrl_890334893.pdb > /var/tmp/scwrl_890334893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_890334893.pdb Number of alignments=602 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)Q323 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 43 :CMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQWSGY T0532 263 :MLSTMLIDKFKATGDIRMFYYAKPAKAK 3ejnA 254 :YMDDTFIQRMRERRDPRLFIFSAQTNKG T0532 294 :GVTADSWDAYIGTDPSLPFEQIEKAYATE 3ejnA 282 :KTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHP 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNENA T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINP 3ejnA 387 :VAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQF 3ejnA 444 :GTEIPKRWMYPQGEYDNNGTNVETAITRQF T0532 493 :GGVDDVNK 3ejnA 475 :AGNDKINQ Number of specific fragments extracted= 9 number of extra gaps= 0 total=8036 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_412952172.pdb -s /var/tmp/to_scwrl_412952172.seq -o /var/tmp/from_scwrl_412952172.pdb > /var/tmp/scwrl_412952172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412952172.pdb Number of alignments=603 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLA 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQ T0532 69 :AWGESME 3ejnA 63 :ADGESAD T0532 78 :QYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 70 :QYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFST 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAN T0532 174 :AKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYP 3ejnA 168 :ASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYP T0532 253 :NTNTKHAGYAMLST 3ejnA 245 :QFNAQWSGYYMDDT T0532 268 :LIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 259 :FIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVY 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGY T0532 396 :ITEEAIAAFLETPAIQLS 3ejnA 382 :LNENAVAQYLKEPLVDFT T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVL 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDF T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 440 :RRPAGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 12 number of extra gaps= 0 total=8048 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_10862369.pdb -s /var/tmp/to_scwrl_10862369.seq -o /var/tmp/from_scwrl_10862369.pdb > /var/tmp/scwrl_10862369.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_10862369.pdb Number of alignments=604 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLA 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQ T0532 69 :AWGESME 3ejnA 63 :ADGESAD T0532 78 :QYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 70 :QYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFS 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILA T0532 173 :TAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHN 3ejnA 167 :DASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFN T0532 256 :TKHAGYAMLST 3ejnA 248 :AQWSGYYMDDT T0532 268 :LIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 259 :FIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVY 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGY T0532 396 :ITEEAIAAFLETPAIQLS 3ejnA 382 :LNENAVAQYLKEPLVDFT T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVL 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDF T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 440 :RRPAGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWI 3ejnA 476 :GNDKINQATWW Number of specific fragments extracted= 12 number of extra gaps= 0 total=8060 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_60067150.pdb -s /var/tmp/to_scwrl_60067150.seq -o /var/tmp/from_scwrl_60067150.pdb > /var/tmp/scwrl_60067150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_60067150.pdb Number of alignments=605 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSAS 3ejnA 33 :THPKLLLTQICMNAFKRGTD T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 13 number of extra gaps= 0 total=8073 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_484476728.pdb -s /var/tmp/to_scwrl_484476728.seq -o /var/tmp/from_scwrl_484476728.pdb > /var/tmp/scwrl_484476728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_484476728.pdb Number of alignments=606 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSF 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMY T0532 64 :LAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 56 :ATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYE T0532 383 :NTPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 373 :THAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 11 number of extra gaps= 0 total=8084 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1609289568.pdb -s /var/tmp/to_scwrl_1609289568.seq -o /var/tmp/from_scwrl_1609289568.pdb > /var/tmp/scwrl_1609289568.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1609289568.pdb Number of alignments=607 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 52 :SSASK 3ejnA 49 :RGTDG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 12 number of extra gaps= 0 total=8096 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_344914020.pdb -s /var/tmp/to_scwrl_344914020.seq -o /var/tmp/from_scwrl_344914020.pdb > /var/tmp/scwrl_344914020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344914020.pdb Number of alignments=608 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 52 :SSASKS 3ejnA 49 :RGTDGM T0532 63 :LLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 55 :YATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 12 number of extra gaps= 0 total=8108 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1761778796.pdb -s /var/tmp/to_scwrl_1761778796.seq -o /var/tmp/from_scwrl_1761778796.pdb > /var/tmp/scwrl_1761778796.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761778796.pdb Number of alignments=609 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :S 3ejnA 52 :D T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNT 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHA T0532 386 :DEEVYHHGHPITEEAIAAFLETPAI 3ejnA 376 :KDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 14 number of extra gaps= 0 total=8122 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_532308624.pdb -s /var/tmp/to_scwrl_532308624.seq -o /var/tmp/from_scwrl_532308624.pdb > /var/tmp/scwrl_532308624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532308624.pdb Number of alignments=610 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :SK 3ejnA 52 :DG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 12 number of extra gaps= 0 total=8134 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1536470725.pdb -s /var/tmp/to_scwrl_1536470725.seq -o /var/tmp/from_scwrl_1536470725.pdb > /var/tmp/scwrl_1536470725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536470725.pdb Number of alignments=611 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASK 3ejnA 33 :THPKLLLTQICMNAFKRGTDG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 11 number of extra gaps= 0 total=8145 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1684312062.pdb -s /var/tmp/to_scwrl_1684312062.seq -o /var/tmp/from_scwrl_1684312062.pdb > /var/tmp/scwrl_1684312062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1684312062.pdb Number of alignments=612 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSAS 3ejnA 33 :THPKLLLTQICMNAFKRGTD T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 11 number of extra gaps= 0 total=8156 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1708704761.pdb -s /var/tmp/to_scwrl_1708704761.seq -o /var/tmp/from_scwrl_1708704761.pdb > /var/tmp/scwrl_1708704761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1708704761.pdb Number of alignments=613 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :S 3ejnA 52 :D T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 14 number of extra gaps= 0 total=8170 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2133600747.pdb -s /var/tmp/to_scwrl_2133600747.seq -o /var/tmp/from_scwrl_2133600747.pdb > /var/tmp/scwrl_2133600747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2133600747.pdb Number of alignments=614 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 51 :SS 3ejnA 52 :DG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPD 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKD T0532 387 :EEV 3ejnA 379 :AGY T0532 396 :ITEEAIAAFLETPAIQL 3ejnA 382 :LNENAVAQYLKEPLVDF T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 13 number of extra gaps= 0 total=8183 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_71739363.pdb -s /var/tmp/to_scwrl_71739363.seq -o /var/tmp/from_scwrl_71739363.pdb > /var/tmp/scwrl_71739363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71739363.pdb Number of alignments=615 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :SK 3ejnA 52 :DG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 12 number of extra gaps= 0 total=8195 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1000359357.pdb -s /var/tmp/to_scwrl_1000359357.seq -o /var/tmp/from_scwrl_1000359357.pdb > /var/tmp/scwrl_1000359357.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1000359357.pdb Number of alignments=616 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :SKSF 3ejnA 52 :DGMY T0532 64 :LAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 56 :ATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :ILQ 3ejnA 488 :KKS Number of specific fragments extracted= 14 number of extra gaps= 0 total=8209 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_185683397.pdb -s /var/tmp/to_scwrl_185683397.seq -o /var/tmp/from_scwrl_185683397.pdb > /var/tmp/scwrl_185683397.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_185683397.pdb Number of alignments=617 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSAS 3ejnA 33 :THPKLLLTQICMNAFKRGTD T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 12 number of extra gaps= 0 total=8221 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1472126179.pdb -s /var/tmp/to_scwrl_1472126179.seq -o /var/tmp/from_scwrl_1472126179.pdb > /var/tmp/scwrl_1472126179.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1472126179.pdb Number of alignments=618 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSF 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMY T0532 64 :LAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 56 :ATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYE T0532 383 :NTPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 373 :THAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 10 number of extra gaps= 0 total=8231 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1470281678.pdb -s /var/tmp/to_scwrl_1470281678.seq -o /var/tmp/from_scwrl_1470281678.pdb > /var/tmp/scwrl_1470281678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1470281678.pdb Number of alignments=619 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 52 :SSASK 3ejnA 49 :RGTDG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWIL 3ejnA 476 :GNDKINQATWWQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=8242 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2109707027.pdb -s /var/tmp/to_scwrl_2109707027.seq -o /var/tmp/from_scwrl_2109707027.pdb > /var/tmp/scwrl_2109707027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109707027.pdb Number of alignments=620 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 52 :SSASKS 3ejnA 49 :RGTDGM T0532 63 :LLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 55 :YATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWIL 3ejnA 476 :GNDKINQATWWQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=8253 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_493067684.pdb -s /var/tmp/to_scwrl_493067684.seq -o /var/tmp/from_scwrl_493067684.pdb > /var/tmp/scwrl_493067684.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_493067684.pdb Number of alignments=621 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :S 3ejnA 52 :D T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNT 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHA T0532 386 :DEEVYHHGHPITEEAIAAFLETPAI 3ejnA 376 :KDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 13 number of extra gaps= 0 total=8266 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1534561247.pdb -s /var/tmp/to_scwrl_1534561247.seq -o /var/tmp/from_scwrl_1534561247.pdb > /var/tmp/scwrl_1534561247.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1534561247.pdb Number of alignments=622 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :SK 3ejnA 52 :DG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYET T0532 384 :TPDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 374 :HAKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 11 number of extra gaps= 0 total=8277 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1421436927.pdb -s /var/tmp/to_scwrl_1421436927.seq -o /var/tmp/from_scwrl_1421436927.pdb > /var/tmp/scwrl_1421436927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421436927.pdb Number of alignments=623 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASK 3ejnA 33 :THPKLLLTQICMNAFKRGTDG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 10 number of extra gaps= 0 total=8287 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2037390381.pdb -s /var/tmp/to_scwrl_2037390381.seq -o /var/tmp/from_scwrl_2037390381.pdb > /var/tmp/scwrl_2037390381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2037390381.pdb Number of alignments=624 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSAS 3ejnA 33 :THPKLLLTQICMNAFKRGTD T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 10 number of extra gaps= 0 total=8297 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_886275741.pdb -s /var/tmp/to_scwrl_886275741.seq -o /var/tmp/from_scwrl_886275741.pdb > /var/tmp/scwrl_886275741.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_886275741.pdb Number of alignments=625 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :S 3ejnA 52 :D T0532 61 :DELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 53 :GMYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWIL 3ejnA 476 :GNDKINQATWWQ Number of specific fragments extracted= 13 number of extra gaps= 0 total=8310 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1664042252.pdb -s /var/tmp/to_scwrl_1664042252.seq -o /var/tmp/from_scwrl_1664042252.pdb > /var/tmp/scwrl_1664042252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1664042252.pdb Number of alignments=626 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 51 :SS 3ejnA 52 :DG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILANDASV T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 172 :DGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPD 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKD T0532 387 :EEV 3ejnA 379 :AGY T0532 396 :ITEEAIAAFLETPAIQL 3ejnA 382 :LNENAVAQYLKEPLVDF T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW T0532 504 :IL 3ejnA 487 :QK Number of specific fragments extracted= 13 number of extra gaps= 0 total=8323 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_807847938.pdb -s /var/tmp/to_scwrl_807847938.seq -o /var/tmp/from_scwrl_807847938.pdb > /var/tmp/scwrl_807847938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_807847938.pdb Number of alignments=627 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :SK 3ejnA 52 :DG T0532 62 :ELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 54 :MYATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPINPA 3ejnA 401 :ASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 11 number of extra gaps= 0 total=8334 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_848955006.pdb -s /var/tmp/to_scwrl_848955006.seq -o /var/tmp/from_scwrl_848955006.pdb > /var/tmp/scwrl_848955006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_848955006.pdb Number of alignments=628 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDIT 3ejnA 33 :THPKLLLTQICMNAF T0532 55 :SKSF 3ejnA 52 :DGMY T0532 64 :LAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 56 :ATKKVIQADGESADQYYKWTRGSFGYYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3ejnA 140 :TPEYDAQEDVFAGILQELREADEIL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTN 3ejnA 166 :NDASVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQFNAQ T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 250 :WSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASN 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETH T0532 385 :PDEEVYHHGHPITEEAIAAFLETPAI 3ejnA 375 :AKDYAGYLNENAVAQYLKEPLVDFTQ T0532 413 :SGEKEADIEKILTQRYLASF 3ejnA 401 :ASGTEEQIERIIMQKYLVTF T0532 434 :QH 3ejnA 421 :YQ T0532 436 :PYDVYYDYRRTGYPVLPINPA 3ejnA 424 :NWDSFYEQLRTGYPDFRRPAG T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 445 :TEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 13 number of extra gaps= 0 total=8347 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1809897849.pdb -s /var/tmp/to_scwrl_1809897849.seq -o /var/tmp/from_scwrl_1809897849.pdb > /var/tmp/scwrl_1809897849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1809897849.pdb Number of alignments=629 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8356 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_390159761.pdb -s /var/tmp/to_scwrl_390159761.seq -o /var/tmp/from_scwrl_390159761.pdb > /var/tmp/scwrl_390159761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_390159761.pdb Number of alignments=630 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8365 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2093420946.pdb -s /var/tmp/to_scwrl_2093420946.seq -o /var/tmp/from_scwrl_2093420946.pdb > /var/tmp/scwrl_2093420946.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2093420946.pdb Number of alignments=631 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8374 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1027025009.pdb -s /var/tmp/to_scwrl_1027025009.seq -o /var/tmp/from_scwrl_1027025009.pdb > /var/tmp/scwrl_1027025009.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1027025009.pdb Number of alignments=632 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8383 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1280494653.pdb -s /var/tmp/to_scwrl_1280494653.seq -o /var/tmp/from_scwrl_1280494653.pdb > /var/tmp/scwrl_1280494653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280494653.pdb Number of alignments=633 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 384 :ENAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8392 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_358889471.pdb -s /var/tmp/to_scwrl_358889471.seq -o /var/tmp/from_scwrl_358889471.pdb > /var/tmp/scwrl_358889471.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358889471.pdb Number of alignments=634 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8401 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1037887378.pdb -s /var/tmp/to_scwrl_1037887378.seq -o /var/tmp/from_scwrl_1037887378.pdb > /var/tmp/scwrl_1037887378.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1037887378.pdb Number of alignments=635 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8410 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1340561803.pdb -s /var/tmp/to_scwrl_1340561803.seq -o /var/tmp/from_scwrl_1340561803.pdb > /var/tmp/scwrl_1340561803.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1340561803.pdb Number of alignments=636 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPIT 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNENAVA T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 389 :QYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8419 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_843366200.pdb -s /var/tmp/to_scwrl_843366200.seq -o /var/tmp/from_scwrl_843366200.pdb > /var/tmp/scwrl_843366200.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843366200.pdb Number of alignments=637 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVG T0532 213 :DLKVKERFAR 3ejnA 210 :IASEFKNIAT T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3ejnA 220 :NSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 384 :ENAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 11 number of extra gaps= 0 total=8430 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_499693299.pdb -s /var/tmp/to_scwrl_499693299.seq -o /var/tmp/from_scwrl_499693299.pdb > /var/tmp/scwrl_499693299.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_499693299.pdb Number of alignments=638 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVG T0532 213 :DLKVKERFAR 3ejnA 210 :IASEFKNIAT T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3ejnA 220 :NSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEE 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYA T0532 394 :HPITEEAIAAFLETPAIQLS 3ejnA 380 :GYLNENAVAQYLKEPLVDFT T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 12 number of extra gaps= 0 total=8442 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1685475824.pdb -s /var/tmp/to_scwrl_1685475824.seq -o /var/tmp/from_scwrl_1685475824.pdb > /var/tmp/scwrl_1685475824.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1685475824.pdb Number of alignments=639 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 384 :ENAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8451 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_457661349.pdb -s /var/tmp/to_scwrl_457661349.seq -o /var/tmp/from_scwrl_457661349.pdb > /var/tmp/scwrl_457661349.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_457661349.pdb Number of alignments=640 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWILQ 3ejnA 476 :GNDKINQATWWQK Number of specific fragments extracted= 9 number of extra gaps= 0 total=8460 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1032001924.pdb -s /var/tmp/to_scwrl_1032001924.seq -o /var/tmp/from_scwrl_1032001924.pdb > /var/tmp/scwrl_1032001924.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1032001924.pdb Number of alignments=641 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8469 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1074462902.pdb -s /var/tmp/to_scwrl_1074462902.seq -o /var/tmp/from_scwrl_1074462902.pdb > /var/tmp/scwrl_1074462902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1074462902.pdb Number of alignments=642 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8478 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2141973412.pdb -s /var/tmp/to_scwrl_2141973412.seq -o /var/tmp/from_scwrl_2141973412.pdb > /var/tmp/scwrl_2141973412.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141973412.pdb Number of alignments=643 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8487 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_593223038.pdb -s /var/tmp/to_scwrl_593223038.seq -o /var/tmp/from_scwrl_593223038.pdb > /var/tmp/scwrl_593223038.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_593223038.pdb Number of alignments=644 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8496 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1060580004.pdb -s /var/tmp/to_scwrl_1060580004.seq -o /var/tmp/from_scwrl_1060580004.pdb > /var/tmp/scwrl_1060580004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1060580004.pdb Number of alignments=645 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 384 :ENAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8505 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_66229128.pdb -s /var/tmp/to_scwrl_66229128.seq -o /var/tmp/from_scwrl_66229128.pdb > /var/tmp/scwrl_66229128.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_66229128.pdb Number of alignments=646 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8514 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1593582395.pdb -s /var/tmp/to_scwrl_1593582395.seq -o /var/tmp/from_scwrl_1593582395.pdb > /var/tmp/scwrl_1593582395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1593582395.pdb Number of alignments=647 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8523 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1246263400.pdb -s /var/tmp/to_scwrl_1246263400.seq -o /var/tmp/from_scwrl_1246263400.pdb > /var/tmp/scwrl_1246263400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1246263400.pdb Number of alignments=648 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPIT 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNENAVA T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 389 :QYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8532 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1538355307.pdb -s /var/tmp/to_scwrl_1538355307.seq -o /var/tmp/from_scwrl_1538355307.pdb > /var/tmp/scwrl_1538355307.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538355307.pdb Number of alignments=649 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVG T0532 213 :DLKVKERFAR 3ejnA 210 :IASEFKNIAT T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3ejnA 220 :NSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 384 :ENAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 11 number of extra gaps= 0 total=8543 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_916380427.pdb -s /var/tmp/to_scwrl_916380427.seq -o /var/tmp/from_scwrl_916380427.pdb > /var/tmp/scwrl_916380427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_916380427.pdb Number of alignments=650 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVG T0532 213 :DLKVKERFAR 3ejnA 210 :IASEFKNIAT T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3ejnA 220 :NSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEE 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYA T0532 394 :HPITEEAIAAFLETPAIQLS 3ejnA 380 :GYLNENAVAQYLKEPLVDFT T0532 414 :GEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 402 :SGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMWI 3ejnA 476 :GNDKINQATWW Number of specific fragments extracted= 12 number of extra gaps= 0 total=8555 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1208486781.pdb -s /var/tmp/to_scwrl_1208486781.seq -o /var/tmp/from_scwrl_1208486781.pdb > /var/tmp/scwrl_1208486781.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1208486781.pdb Number of alignments=651 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHH 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLN T0532 396 :ITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 384 :ENAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8564 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2031422992.pdb -s /var/tmp/to_scwrl_2031422992.seq -o /var/tmp/from_scwrl_2031422992.pdb > /var/tmp/scwrl_2031422992.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2031422992.pdb Number of alignments=652 # 3ejnA read from all-align.a2m # found chain 3ejnA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3ejnA)Q32 Warning: unaligning (T0532)Q140 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)Y139 Warning: unaligning (T0532)V146 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)Y139 Warning: unaligning (T0532)A320 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3ejnA)I315 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3ejnA)I315 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFG 3ejnA 33 :THPKLLLTQICMNAFKRGTDGMYATKKVIQADGESADQYYKWTRGSFG T0532 89 :GYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ejnA 81 :YYDNLRNVQKMGEEAERVNAPVYTALTKFFRAYYFYELTLRFGDIPYSQAL T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3ejnA 140 :TPEYDAQEDVFAGILQELREADEILAND T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ejnA 169 :SVIDGDIIYNGNSTQWRKLINSFRLKVLMTLSNHTTVGNINIASEFKNIATNSPLMNSLADNGQLVYLDQQGNRYPQ T0532 255 :NTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAY 3ejnA 246 :FNAQWSGYYMDDTFIQRMRERRDPRLFIFSAQTNKGKTEGKPIDDFSSYEGGDPAAPYSDAIIKV T0532 325 :SGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHG 3ejnA 316 :SPINDRFRTDPIVEPTMLMGYAELQQILAEAVVRGWISGNAQTYYEKGIRASFSFYETHAKDYAGYLNE T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHPYDVYYDYRRTGYPVLPIN 3ejnA 385 :NAVAQYLKEPLVDFTQASGTEEQIERIIMQKYLVTFYQGNWDSFYEQLRTGYPDFRRP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3ejnA 443 :AGTEIPKRWMYPQGEYDNNGTNVETAITRQFG T0532 494 :GVDDVNKLMW 3ejnA 476 :GNDKINQATW Number of specific fragments extracted= 9 number of extra gaps= 0 total=8573 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_303458027.pdb -s /var/tmp/to_scwrl_303458027.seq -o /var/tmp/from_scwrl_303458027.pdb > /var/tmp/scwrl_303458027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_303458027.pdb Number of alignments=653 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 7 :YISLLLATALLA 3fdhA 40 :VASRFILADVIT T0532 24 :DEINTDPDATT 3fdhA 52 :STAFSNASGDI T0532 35 :KVTSSLLATGLLLDITSSSASKSFIY 3fdhA 75 :GVDNQLYYAEVRENEPSSSSTFNNSW T0532 87 :FGGYTTLINAQKMVESV 3fdhA 101 :NGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKK 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINR T0532 212 :ADLKVKER 3fdhA 234 :SSNKSADY T0532 221 :ARIVASG 3fdhA 242 :EKVLDYV T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3fdhA 250 :KSFTSADDQAAFDIYDSNNINPFY T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTD 3fdhA 274 :GFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3fdhA 328 :NGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRDAEDA T0532 369 :YKKAIRAHM 3fdhA 378 :LKEAVVAGL T0532 392 :HGHPITEEAIAAFLETPAI 3fdhA 387 :LNAENSISIAIKELGSGLN T0532 411 :QLSGEKEADIEKILTQRYLASF 3fdhA 425 :VKAKYAANPLQETMIQKYLAMW T0532 433 :MQ 3fdhA 450 :GE T0532 436 :PYDVYYDYRRTG 3fdhA 452 :ATETYNDFRRMK T0532 448 :YPVLPINPATNRNT 3fdhA 465 :LNENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDY 3fdhA 479 :SKFPLRYPYGNSDTAA T0532 480 :NLE 3fdhA 497 :EVK T0532 484 :QNEAL 3fdhA 500 :AAYGN T0532 493 :GGVDDVNKLMWILQ 3fdhA 505 :GDYVYSEPVWWAGG Number of specific fragments extracted= 22 number of extra gaps= 0 total=8595 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_482440062.pdb -s /var/tmp/to_scwrl_482440062.seq -o /var/tmp/from_scwrl_482440062.pdb > /var/tmp/scwrl_482440062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_482440062.pdb Number of alignments=654 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 25 :EINT 3fdhA 48 :DVIT T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 52 :STAFSNASGDINTYASSYIEYEVGVDNQLYYAEVRENEPSSSSTFNNSW T0532 87 :FGGYTTLINAQKMVESV 3fdhA 101 :NGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKK 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINR T0532 212 :ADLKVKER 3fdhA 234 :SSNKSADY T0532 221 :ARIVASG 3fdhA 242 :EKVLDYV T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3fdhA 250 :KSFTSADDQAAFDIYDSNNINPFY T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKP 3fdhA 274 :GFYNSRAGFGASTSLGTKLLAYNDPRANRAFFT T0532 292 :NEGVTADSWDAYIGTD 3fdhA 312 :KRSQVAANDPSLVPAP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3fdhA 328 :NGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRDAEDA T0532 369 :YKKAIRAHM 3fdhA 378 :LKEAVVAGL T0532 392 :HGHPITEEAIAAFLETP 3fdhA 387 :LNAENSISIAIKELGSG T0532 409 :AIQLSGEKEADIEKILTQRYLASF 3fdhA 423 :DVVKAKYAANPLQETMIQKYLAMW T0532 433 :MQ 3fdhA 450 :GE T0532 436 :PYDVYYDYRRTG 3fdhA 452 :ATETYNDFRRMK T0532 448 :YPVLPINPATNRNT 3fdhA 465 :LNENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDYNLE 3fdhA 479 :SKFPLRYPYGNSDTAANPE T0532 483 :HQNEAL 3fdhA 499 :KAAYGN T0532 493 :GGVDDVNKLMWILQ 3fdhA 505 :GDYVYSEPVWWAGG Number of specific fragments extracted= 21 number of extra gaps= 0 total=8616 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1921329726.pdb -s /var/tmp/to_scwrl_1921329726.seq -o /var/tmp/from_scwrl_1921329726.pdb > /var/tmp/scwrl_1921329726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921329726.pdb Number of alignments=655 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 88 :GGYTTLINAQKMVESV 3fdhA 102 :GIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKK 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINR T0532 212 :ADLKVKER 3fdhA 234 :SSNKSADY T0532 221 :ARIVASG 3fdhA 242 :EKVLDYV T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3fdhA 250 :KSFTSADDQAAFDIYDSNNINPFY T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTD 3fdhA 274 :GFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3fdhA 328 :NGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRDAEDA T0532 369 :YKKAIRAHM 3fdhA 378 :LKEAVVAGL T0532 392 :HGHPITEEAIAAFLETPAI 3fdhA 387 :LNAENSISIAIKELGSGLN T0532 411 :QLSGEKEADIEKILTQRYLASF 3fdhA 425 :VKAKYAANPLQETMIQKYLAMW T0532 433 :MQ 3fdhA 450 :GE T0532 436 :PYDVYYDYRRTG 3fdhA 452 :ATETYNDFRRMK T0532 448 :YPVLPINPATNRNT 3fdhA 465 :LNENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDYN 3fdhA 479 :SKFPLRYPYGNSDTAAN Number of specific fragments extracted= 16 number of extra gaps= 0 total=8632 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1189733767.pdb -s /var/tmp/to_scwrl_1189733767.seq -o /var/tmp/from_scwrl_1189733767.pdb > /var/tmp/scwrl_1189733767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1189733767.pdb Number of alignments=656 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 63 :LLAKQMAWGESMEDYQYNVFGRSGF 3fdhA 71 :EYEVGVDNQLYYAEVRENEPSSSST T0532 88 :GGYTTLINAQKMVESV 3fdhA 102 :GIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKK 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINR T0532 212 :ADLKVKER 3fdhA 234 :SSNKSADY T0532 221 :ARIVASG 3fdhA 242 :EKVLDYV T0532 228 :SLMESNEDNLQMKYADKANTVYPF 3fdhA 250 :KSFTSADDQAAFDIYDSNNINPFY T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKP 3fdhA 274 :GFYNSRAGFGASTSLGTKLLAYNDPRANRAFFT T0532 292 :NEGVTADSWDAYIGTD 3fdhA 312 :KRSQVAANDPSLVPAP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3fdhA 328 :NGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRDAEDA T0532 369 :YKKAIRAHM 3fdhA 378 :LKEAVVAGL T0532 392 :HGHPITEEAIAAFLETP 3fdhA 387 :LNAENSISIAIKELGSG T0532 409 :AIQLSGEKEADIEKILTQRYLASF 3fdhA 423 :DVVKAKYAANPLQETMIQKYLAMW T0532 433 :MQ 3fdhA 450 :GE T0532 436 :PYDVYYDYRRTG 3fdhA 452 :ATETYNDFRRMK T0532 448 :YPVLPINPATNRNT 3fdhA 465 :LNENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDYNLE 3fdhA 479 :SKFPLRYPYGNSDTAANPE T0532 483 :HQNEAL 3fdhA 499 :KAAYGN Number of specific fragments extracted= 19 number of extra gaps= 0 total=8651 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2146482315.pdb -s /var/tmp/to_scwrl_2146482315.seq -o /var/tmp/from_scwrl_2146482315.pdb > /var/tmp/scwrl_2146482315.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146482315.pdb Number of alignments=657 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)D21 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 22 :KFDEINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEYEVGVDNQLYYAEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQCGEGGRDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDL T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3fdhA 202 :TEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSN T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYAD 3fdhA 237 :KSADYEKVLDYVSKSFTSADDQAAFDIYD T0532 246 :NTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3fdhA 266 :SNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAP T0532 340 :VVRLGYAEQNFILAEAAVRGW 3fdhA 351 :TLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLE 3fdhA 372 :RDAEDALKEAVVAGLLNAENSISIAIKELGSGLNTNSSEVITET T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3fdhA 421 :FDDVVKAKYAANPLQETMIQKYLAMWG T0532 435 :HPYDVYYDYRRTGYPVLPINPATNR 3fdhA 451 :EATETYNDFRRMKGLNENFITLTNP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 477 :NSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWILQ 3fdhA 504 :NGDYVYSEPVWWAG Number of specific fragments extracted= 11 number of extra gaps= 0 total=8662 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_581694018.pdb -s /var/tmp/to_scwrl_581694018.seq -o /var/tmp/from_scwrl_581694018.pdb > /var/tmp/scwrl_581694018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581694018.pdb Number of alignments=658 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)D21 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 22 :KFDEINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEYEVGVDNQLYYAEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQCGEGGRDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDL T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3fdhA 202 :TEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSN T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYAD 3fdhA 237 :KSADYEKVLDYVSKSFTSADDQAAFDIYD T0532 246 :NTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3fdhA 266 :SNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAP T0532 340 :VVRLGYAEQNFILAEAAVRGW 3fdhA 351 :TLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLE 3fdhA 372 :RDAEDALKEAVVAGLLNAENSISIAIKELGSGLNTNSSEVITET T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3fdhA 421 :FDDVVKAKYAANPLQETMIQKYLAMWG T0532 435 :HPYDVYYDYRRTGYPVLPINPATNR 3fdhA 451 :EATETYNDFRRMKGLNENFITLTNP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 477 :NSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWILQ 3fdhA 504 :NGDYVYSEPVWWAG Number of specific fragments extracted= 11 number of extra gaps= 0 total=8673 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2038688774.pdb -s /var/tmp/to_scwrl_2038688774.seq -o /var/tmp/from_scwrl_2038688774.pdb > /var/tmp/scwrl_2038688774.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2038688774.pdb Number of alignments=659 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 44 :FILADVITSTAFSNASGDINTYASSYIEYEVGVDNQLYYAEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQCGEGGRDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDL T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3fdhA 202 :TEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSN T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYAD 3fdhA 237 :KSADYEKVLDYVSKSFTSADDQAAFDIYD T0532 246 :NTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3fdhA 266 :SNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAP T0532 340 :VVRLGYAEQNFILAEAAVRGW 3fdhA 351 :TLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLE 3fdhA 372 :RDAEDALKEAVVAGLLNAENSISIAIKELGSGLNTNSSEVITET T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3fdhA 421 :FDDVVKAKYAANPLQETMIQKYLAMWG T0532 435 :HPYDVYYDYRRTGYPVLPINPATNR 3fdhA 451 :EATETYNDFRRMKGLNENFITLTNP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 477 :NSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 11 number of extra gaps= 0 total=8684 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1808896517.pdb -s /var/tmp/to_scwrl_1808896517.seq -o /var/tmp/from_scwrl_1808896517.pdb > /var/tmp/scwrl_1808896517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1808896517.pdb Number of alignments=660 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 50 :ITSTAFSNASGDINTYASSYIEYEVGVDNQLYYAEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQCGEGGRDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDL T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESD 3fdhA 202 :TEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSN T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYAD 3fdhA 237 :KSADYEKVLDYVSKSFTSADDQAAFDIYD T0532 246 :NTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3fdhA 266 :SNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAP T0532 340 :VVRLGYAEQNFILAEAAVRGW 3fdhA 351 :TLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLE 3fdhA 372 :RDAEDALKEAVVAGLLNAENSISIAIKELGSGLNTNSSEVITET T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3fdhA 421 :FDDVVKAKYAANPLQETMIQKYLAMWG T0532 435 :HPYDVYYDYRRTGYPVLPINPATNR 3fdhA 451 :EATETYNDFRRMKGLNENFITLTNP T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 477 :NSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 11 number of extra gaps= 0 total=8695 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_971853779.pdb -s /var/tmp/to_scwrl_971853779.seq -o /var/tmp/from_scwrl_971853779.pdb > /var/tmp/scwrl_971853779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_971853779.pdb Number of alignments=661 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKS 3fdhA 40 :VASRFILADVITSTAFSNASGD T0532 58 :FIYDELLAKQMAWGESMED 3fdhA 70 :IEYEVGVDNQLYYAEVREN T0532 77 :YQYNVFGRSGFGGYTTLINAQKMV 3fdhA 91 :SSSSTFNNSWNGIYSSLKNARIII T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 119 :EGGRDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELF 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANL T0532 172 :STAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKV 3fdhA 197 :DLADVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADY T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLI 3fdhA 242 :EKVLDYVSKSFTSADDQAAFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLL Number of specific fragments extracted= 7 number of extra gaps= 0 total=8702 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1984626073.pdb -s /var/tmp/to_scwrl_1984626073.seq -o /var/tmp/from_scwrl_1984626073.pdb > /var/tmp/scwrl_1984626073.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984626073.pdb Number of alignments=662 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSAS 3fdhA 40 :VASRFILADVITSTAFSNAS T0532 56 :KSFIYDELLAKQMAWGESMED 3fdhA 68 :SYIEYEVGVDNQLYYAEVREN T0532 77 :YQYNVFGRSGFGGYTTLINAQKMVESVS 3fdhA 91 :SSSSTFNNSWNGIYSSLKNARIIIDQCG T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 123 :DHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFS 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQ T0532 173 :TAKDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 198 :LADVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNLQMKYAD 3fdhA 252 :FTSADDQAAFDIYD T0532 245 :ANTVYPFHNTNTKHAGYAM 3fdhA 266 :SNNINPFYGFYNSRAGFGA T0532 265 :STMLIDKFKATGDIRM 3fdhA 285 :STSLGTKLLAYNDPRA T0532 288 :KAKLNEGVTADSWDAYIGTDPSLPFEQ 3fdhA 301 :NRAFFTPIVDKKRSQVAANDPSLVPAP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVR 3fdhA 328 :NGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCR T0532 361 :ISGDASAYYKKAIRAHM 3fdhA 370 :LNRDAEDALKEAVVAGL T0532 379 :FIASNTPDEEVYHHGHPITEEAIAAFLETPAIQLSGE 3fdhA 387 :LNAENSISIAIKELGSGLNTNSSEVITETSAGKYFDD T0532 416 :KEADIEKILTQRYLASFMQ 3fdhA 430 :AANPLQETMIQKYLAMWGA T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRNT 3fdhA 451 :EATETYNDFRRMKGLNENFITLTNPNN T0532 463 :NDRLPMRWMYPKSESDYNLE 3fdhA 478 :SSKFPLRYPYGNSDTAANPE Number of specific fragments extracted= 16 number of extra gaps= 0 total=8718 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_688437879.pdb -s /var/tmp/to_scwrl_688437879.seq -o /var/tmp/from_scwrl_688437879.pdb > /var/tmp/scwrl_688437879.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_688437879.pdb Number of alignments=663 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESVSDDNVNA 3fdhA 104 :YSSLKNARIIIDQCGEGGRDH T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 129 :TRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSK T0532 229 :LMESNEDNLQMKYADKAN 3fdhA 251 :SFTSADDQAAFDIYDSNN T0532 248 :VY 3fdhA 269 :IN T0532 251 :FHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 271 :PFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAHM 3fdhA 372 :RDAEDALKEAVVAGL T0532 378 :EFIASNTPDEEVYHHGHPITEEAIAAFLETPAI 3fdhA 394 :SIAIKELGSGLNTNSSEVITETSAGKYFDDVVK T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPIN 3fdhA 450 :GEATETYNDFRRMKGLNENFI T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 471 :TLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMW 3fdhA 505 :GDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 19 number of extra gaps= 0 total=8737 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_104864786.pdb -s /var/tmp/to_scwrl_104864786.seq -o /var/tmp/from_scwrl_104864786.pdb > /var/tmp/scwrl_104864786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104864786.pdb Number of alignments=664 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMES 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKSFTSADD T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 258 :QAAFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIA 3fdhA 389 :AENSISIAIKELGSGLNTNSSEVITETSAGKYFDDVVK T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTM 3fdhA 450 :GEATETYNDFRRMKGLNENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 479 :SKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMW 3fdhA 505 :GDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 16 number of extra gaps= 0 total=8753 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_196031897.pdb -s /var/tmp/to_scwrl_196031897.seq -o /var/tmp/from_scwrl_196031897.pdb > /var/tmp/scwrl_196031897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196031897.pdb Number of alignments=665 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRA 3fdhA 373 :DAEDALKEAVVA T0532 378 :EFIASNTPDEEVYHH 3fdhA 385 :GLLNAENSISIAIKE T0532 393 :GHPITEEAIAA 3fdhA 401 :GSGLNTNSSEV T0532 409 :A 3fdhA 426 :K T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 469 :FITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMW 3fdhA 505 :GDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 20 number of extra gaps= 0 total=8773 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1726325256.pdb -s /var/tmp/to_scwrl_1726325256.seq -o /var/tmp/from_scwrl_1726325256.pdb > /var/tmp/scwrl_1726325256.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1726325256.pdb Number of alignments=666 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNLQ 3fdhA 252 :FTSADDQAA T0532 241 :YADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 261 :FDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHM 3fdhA 389 :AENSISIAIKELG T0532 386 :DEEV 3fdhA 402 :SGLN T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGE 3fdhA 407 :NSSEVITETSAGKYFDDVVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPI 3fdhA 450 :GEATETYNDFRRMKGLNENF T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 470 :ITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMW 3fdhA 505 :GDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 19 number of extra gaps= 0 total=8792 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1445426589.pdb -s /var/tmp/to_scwrl_1445426589.seq -o /var/tmp/from_scwrl_1445426589.pdb > /var/tmp/scwrl_1445426589.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1445426589.pdb Number of alignments=667 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASN 3fdhA 389 :AENSISIAIKELGSGLNTN T0532 391 :HHGHPITEEAIAAF 3fdhA 408 :SSEVITETSAGKYF T0532 407 :TPAIQLSGE 3fdhA 424 :VVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVL 3fdhA 450 :GEATETYNDFRRMKGLNE T0532 454 :NPATNR 3fdhA 468 :NFITLT T0532 460 :NTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 475 :PNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMW 3fdhA 505 :GDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 20 number of extra gaps= 0 total=8812 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1039398097.pdb -s /var/tmp/to_scwrl_1039398097.seq -o /var/tmp/from_scwrl_1039398097.pdb > /var/tmp/scwrl_1039398097.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1039398097.pdb Number of alignments=668 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNTP 3fdhA 389 :AENSISIAIKELGSGLNTNSS T0532 393 :GHPITEEAIAAF 3fdhA 410 :EVITETSAGKYF T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 453 :INPATNR 3fdhA 470 :ITLTNPN T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 477 :NSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 19 number of extra gaps= 0 total=8831 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_78534908.pdb -s /var/tmp/to_scwrl_78534908.seq -o /var/tmp/from_scwrl_78534908.pdb > /var/tmp/scwrl_78534908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_78534908.pdb Number of alignments=669 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNT 3fdhA 389 :AENSISIAIKELGSGLNTNS T0532 392 :HGHPITEEAIAAFLETPAIQLSGE 3fdhA 409 :SEVITETSAGKYFDDVVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 469 :FITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMW 3fdhA 505 :GDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 18 number of extra gaps= 0 total=8849 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_983418767.pdb -s /var/tmp/to_scwrl_983418767.seq -o /var/tmp/from_scwrl_983418767.pdb > /var/tmp/scwrl_983418767.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_983418767.pdb Number of alignments=670 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADL 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSA T0532 215 :KVKERFAR 3fdhA 243 :KVLDYVSK T0532 229 :LMESNEDNLQMKYADK 3fdhA 251 :SFTSADDQAAFDIYDS T0532 246 :NTVY 3fdhA 267 :NNIN T0532 251 :FHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 271 :PFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAH 3fdhA 372 :RDAEDALKEAVVAG T0532 379 :FIASNTPDEEVYHH 3fdhA 386 :LLNAENSISIAIKE T0532 393 :GHPITEEAIAA 3fdhA 401 :GSGLNTNSSEV T0532 407 :T 3fdhA 426 :K T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPINPA 3fdhA 450 :GEATETYNDFRRMKGLNENFITL T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 473 :TNPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 22 number of extra gaps= 0 total=8871 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1497059446.pdb -s /var/tmp/to_scwrl_1497059446.seq -o /var/tmp/from_scwrl_1497059446.pdb > /var/tmp/scwrl_1497059446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1497059446.pdb Number of alignments=671 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 123 :DHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSK T0532 229 :LMESNEDNLQMKYADK 3fdhA 251 :SFTSADDQAAFDIYDS T0532 246 :NTVYPFH 3fdhA 267 :NNINPFY T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 274 :GFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHM 3fdhA 373 :DAEDALKEAVVAGL T0532 378 :EFIASNTPDEEVYHHGHPITEEAIAAF 3fdhA 394 :SIAIKELGSGLNTNSSEVITETSAGKY T0532 412 :LS 3fdhA 429 :YA T0532 417 :EADIEKILTQRYLASFM 3fdhA 431 :ANPLQETMIQKYLAMWG T0532 435 :HPYDVYYDYRRTGYPVLPINPATNR 3fdhA 451 :EATETYNDFRRMKGLNENFITLTNP T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQN 3fdhA 476 :NNSSKFPLRYPYGNSDTAANPEVKA T0532 488 :LE 3fdhA 501 :AY T0532 492 :FGGVDDVNKLMW 3fdhA 503 :GNGDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 21 number of extra gaps= 0 total=8892 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1110536831.pdb -s /var/tmp/to_scwrl_1110536831.seq -o /var/tmp/from_scwrl_1110536831.pdb > /var/tmp/scwrl_1110536831.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1110536831.pdb Number of alignments=672 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGE 3fdhA 56 :SNASGDINTYASSYIEYEVGVD T0532 73 :SMEDYQYNVFGRSGFGG 3fdhA 86 :RENEPSSSSTFNNSWNG T0532 90 :YTTLINAQKMVESVSDD 3fdhA 104 :YSSLKNARIIIDQCGEG T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 125 :GNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLA T0532 178 :D 3fdhA 203 :E T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADL 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSA T0532 219 :RFARIVA 3fdhA 240 :DYEKVLD T0532 226 :S 3fdhA 249 :S T0532 228 :SLMESNEDNLQMKYADK 3fdhA 250 :KSFTSADDQAAFDIYDS T0532 246 :NTVYPFHNTNT 3fdhA 267 :NNINPFYGFYN T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQY 3fdhA 278 :SRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKK 3fdhA 389 :AENSISI T0532 373 :IRAHME 3fdhA 396 :AIKELG T0532 387 :EEVYHHGHP 3fdhA 402 :SGLNTNSSE T0532 396 :ITEEAIAAF 3fdhA 412 :ITETSAGKY T0532 416 :KEADIEKILTQRYLASFM 3fdhA 430 :AANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRT 3fdhA 450 :GEATETYNDFRRM T0532 447 :GYPVLPINPATNR 3fdhA 466 :NENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDYNLEHQ 3fdhA 479 :SKFPLRYPYGNSDTAANPEVK T0532 487 :ALER 3fdhA 500 :AAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 25 number of extra gaps= 0 total=8917 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2057881670.pdb -s /var/tmp/to_scwrl_2057881670.seq -o /var/tmp/from_scwrl_2057881670.pdb > /var/tmp/scwrl_2057881670.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057881670.pdb Number of alignments=673 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQY 3fdhA 336 :SKYGISAF T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 344 :VYAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNT 3fdhA 389 :AENSISIAIKELGSGLNTNS T0532 392 :HGHPITEEAIAAF 3fdhA 409 :SEVITETSAGKYF T0532 410 :IQLSGE 3fdhA 427 :AKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPIN 3fdhA 450 :GEATETYNDFRRMKGLNENFI T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 471 :TLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 19 number of extra gaps= 0 total=8936 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1491549211.pdb -s /var/tmp/to_scwrl_1491549211.seq -o /var/tmp/from_scwrl_1491549211.pdb > /var/tmp/scwrl_1491549211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491549211.pdb Number of alignments=674 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNT 3fdhA 389 :AENSISIAIKELGSGLNTNS T0532 392 :HGHPITEEAIAAFLETPAIQLSGE 3fdhA 409 :SEVITETSAGKYFDDVVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 469 :FITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMW 3fdhA 505 :GDYVYSEPVW T0532 504 :ILQ 3fdhA 518 :GSR Number of specific fragments extracted= 18 number of extra gaps= 0 total=8954 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1703759870.pdb -s /var/tmp/to_scwrl_1703759870.seq -o /var/tmp/from_scwrl_1703759870.pdb > /var/tmp/scwrl_1703759870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1703759870.pdb Number of alignments=675 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESVSDDNVNA 3fdhA 104 :YSSLKNARIIIDQCGEGGRDH T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 129 :TRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSK T0532 229 :LMESNEDNLQMKYADKAN 3fdhA 251 :SFTSADDQAAFDIYDSNN T0532 248 :VY 3fdhA 269 :IN T0532 251 :FHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 271 :PFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAHM 3fdhA 372 :RDAEDALKEAVVAGL T0532 378 :EFIASNTPDEEVYHHGHPITEEAIAAFLETPAI 3fdhA 394 :SIAIKELGSGLNTNSSEVITETSAGKYFDDVVK T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPIN 3fdhA 450 :GEATETYNDFRRMKGLNENFI T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 471 :TLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMWIL 3fdhA 505 :GDYVYSEPVWWA Number of specific fragments extracted= 18 number of extra gaps= 0 total=8972 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_970978027.pdb -s /var/tmp/to_scwrl_970978027.seq -o /var/tmp/from_scwrl_970978027.pdb > /var/tmp/scwrl_970978027.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_970978027.pdb Number of alignments=676 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMES 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKSFTSADD T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 258 :QAAFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEEAIA 3fdhA 389 :AENSISIAIKELGSGLNTNSSEVITETSAGKYFDDVVK T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNTM 3fdhA 450 :GEATETYNDFRRMKGLNENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 479 :SKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMWILQ 3fdhA 505 :GDYVYSEPVWWAG Number of specific fragments extracted= 15 number of extra gaps= 0 total=8987 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1557778339.pdb -s /var/tmp/to_scwrl_1557778339.seq -o /var/tmp/from_scwrl_1557778339.pdb > /var/tmp/scwrl_1557778339.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1557778339.pdb Number of alignments=677 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRA 3fdhA 373 :DAEDALKEAVVA T0532 378 :EFIASNTPDEEVYHH 3fdhA 385 :GLLNAENSISIAIKE T0532 393 :GHPITEEAIAA 3fdhA 401 :GSGLNTNSSEV T0532 409 :A 3fdhA 426 :K T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 469 :FITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMWIL 3fdhA 505 :GDYVYSEPVWWA Number of specific fragments extracted= 19 number of extra gaps= 0 total=9006 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1149858618.pdb -s /var/tmp/to_scwrl_1149858618.seq -o /var/tmp/from_scwrl_1149858618.pdb > /var/tmp/scwrl_1149858618.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1149858618.pdb Number of alignments=678 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNLQ 3fdhA 252 :FTSADDQAA T0532 241 :YADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 261 :FDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHM 3fdhA 389 :AENSISIAIKELG T0532 386 :DEEV 3fdhA 402 :SGLN T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGE 3fdhA 407 :NSSEVITETSAGKYFDDVVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPI 3fdhA 450 :GEATETYNDFRRMKGLNENF T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 470 :ITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMWIL 3fdhA 505 :GDYVYSEPVWWA Number of specific fragments extracted= 18 number of extra gaps= 0 total=9024 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_69757780.pdb -s /var/tmp/to_scwrl_69757780.seq -o /var/tmp/from_scwrl_69757780.pdb > /var/tmp/scwrl_69757780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_69757780.pdb Number of alignments=679 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASN 3fdhA 389 :AENSISIAIKELGSGLNTN T0532 391 :HHGHPITEEAIAAF 3fdhA 408 :SSEVITETSAGKYF T0532 407 :TPAIQLSGE 3fdhA 424 :VVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVL 3fdhA 450 :GEATETYNDFRRMKGLNE T0532 454 :NPATNR 3fdhA 468 :NFITLT T0532 460 :NTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 475 :PNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMWIL 3fdhA 505 :GDYVYSEPVWWA Number of specific fragments extracted= 19 number of extra gaps= 0 total=9043 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_948650001.pdb -s /var/tmp/to_scwrl_948650001.seq -o /var/tmp/from_scwrl_948650001.pdb > /var/tmp/scwrl_948650001.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_948650001.pdb Number of alignments=680 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNTP 3fdhA 389 :AENSISIAIKELGSGLNTNSS T0532 393 :GHPITEEAIAAF 3fdhA 410 :EVITETSAGKYF T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 453 :INPATNR 3fdhA 470 :ITLTNPN T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 477 :NSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 18 number of extra gaps= 0 total=9061 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2066239045.pdb -s /var/tmp/to_scwrl_2066239045.seq -o /var/tmp/from_scwrl_2066239045.pdb > /var/tmp/scwrl_2066239045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2066239045.pdb Number of alignments=681 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNT 3fdhA 389 :AENSISIAIKELGSGLNTNS T0532 392 :HGHPITEEAIAAFLETPAIQLSGE 3fdhA 409 :SEVITETSAGKYFDDVVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 469 :FITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMWIL 3fdhA 505 :GDYVYSEPVWWA Number of specific fragments extracted= 17 number of extra gaps= 0 total=9078 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1278244561.pdb -s /var/tmp/to_scwrl_1278244561.seq -o /var/tmp/from_scwrl_1278244561.pdb > /var/tmp/scwrl_1278244561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1278244561.pdb Number of alignments=682 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADL 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSA T0532 215 :KVKERFAR 3fdhA 243 :KVLDYVSK T0532 229 :LMESNEDNLQMKYADK 3fdhA 251 :SFTSADDQAAFDIYDS T0532 246 :NTVY 3fdhA 267 :NNIN T0532 251 :FHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 271 :PFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLN T0532 363 :GDASAYYKKAIRAH 3fdhA 372 :RDAEDALKEAVVAG T0532 379 :FIASNTPDEEVYHH 3fdhA 386 :LLNAENSISIAIKE T0532 393 :GHPITEEAIAA 3fdhA 401 :GSGLNTNSSEV T0532 407 :T 3fdhA 426 :K T0532 413 :SGEKEADIEKILTQRYLASFM 3fdhA 427 :AKYAANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPINPA 3fdhA 450 :GEATETYNDFRRMKGLNENFITL T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 473 :TNPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 21 number of extra gaps= 0 total=9099 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_832589346.pdb -s /var/tmp/to_scwrl_832589346.seq -o /var/tmp/from_scwrl_832589346.pdb > /var/tmp/scwrl_832589346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_832589346.pdb Number of alignments=683 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 123 :DHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVA 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSK T0532 229 :LMESNEDNLQMKYADK 3fdhA 251 :SFTSADDQAAFDIYDS T0532 246 :NTVYPFH 3fdhA 267 :NNINPFY T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 274 :GFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHM 3fdhA 373 :DAEDALKEAVVAGL T0532 378 :EFIASNTPDEEVYHHGHPITEEAIAAF 3fdhA 394 :SIAIKELGSGLNTNSSEVITETSAGKY T0532 412 :LS 3fdhA 429 :YA T0532 417 :EADIEKILTQRYLASFM 3fdhA 431 :ANPLQETMIQKYLAMWG T0532 435 :HPYDVYYDYRRTGYPVLPINPATNR 3fdhA 451 :EATETYNDFRRMKGLNENFITLTNP T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQN 3fdhA 476 :NNSSKFPLRYPYGNSDTAANPEVKA T0532 488 :LE 3fdhA 501 :AY T0532 492 :FGGVDDVNKLMWI 3fdhA 503 :GNGDYVYSEPVWW Number of specific fragments extracted= 20 number of extra gaps= 0 total=9119 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_222213426.pdb -s /var/tmp/to_scwrl_222213426.seq -o /var/tmp/from_scwrl_222213426.pdb > /var/tmp/scwrl_222213426.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222213426.pdb Number of alignments=684 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGE 3fdhA 56 :SNASGDINTYASSYIEYEVGVD T0532 73 :SMEDYQYNVFGRSGFGG 3fdhA 86 :RENEPSSSSTFNNSWNG T0532 90 :YTTLINAQKMVESVSDD 3fdhA 104 :YSSLKNARIIIDQCGEG T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 125 :GNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLA T0532 178 :D 3fdhA 203 :E T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADL 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSA T0532 219 :RFARIVA 3fdhA 240 :DYEKVLD T0532 226 :S 3fdhA 249 :S T0532 228 :SLMESNEDNLQMKYADK 3fdhA 250 :KSFTSADDQAAFDIYDS T0532 246 :NTVYPFHNTNT 3fdhA 267 :NNINPFYGFYN T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQY 3fdhA 278 :SRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKK 3fdhA 389 :AENSISI T0532 373 :IRAHME 3fdhA 396 :AIKELG T0532 387 :EEVYHHGHP 3fdhA 402 :SGLNTNSSE T0532 396 :ITEEAIAAF 3fdhA 412 :ITETSAGKY T0532 416 :KEADIEKILTQRYLASFM 3fdhA 430 :AANPLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRT 3fdhA 450 :GEATETYNDFRRM T0532 447 :GYPVLPINPATNR 3fdhA 466 :NENFITLTNPNNS T0532 464 :DRLPMRWMYPKSESDYNLEHQ 3fdhA 479 :SKFPLRYPYGNSDTAANPEVK T0532 487 :ALER 3fdhA 500 :AAYG T0532 493 :GGVDDVNKLMWI 3fdhA 504 :NGDYVYSEPVWW Number of specific fragments extracted= 24 number of extra gaps= 0 total=9143 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1760684624.pdb -s /var/tmp/to_scwrl_1760684624.seq -o /var/tmp/from_scwrl_1760684624.pdb > /var/tmp/scwrl_1760684624.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1760684624.pdb Number of alignments=685 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQY 3fdhA 336 :SKYGISAF T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 344 :VYAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNT 3fdhA 389 :AENSISIAIKELGSGLNTNS T0532 392 :HGHPITEEAIAAF 3fdhA 409 :SEVITETSAGKYF T0532 410 :IQLSGE 3fdhA 427 :AKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLPIN 3fdhA 450 :GEATETYNDFRRMKGLNENFI T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 471 :TLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 18 number of extra gaps= 0 total=9161 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_606435425.pdb -s /var/tmp/to_scwrl_606435425.seq -o /var/tmp/from_scwrl_606435425.pdb > /var/tmp/scwrl_606435425.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_606435425.pdb Number of alignments=686 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDIT 3fdhA 40 :VASRFILADVITSTA T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3fdhA 56 :SNASGDINTYASSYIEYEVGVDNQLYYAE T0532 80 :NVFGRSGFGG 3fdhA 93 :SSTFNNSWNG T0532 90 :YTTLINAQKMVESV 3fdhA 104 :YSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKEDLADV T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3fdhA 205 :DFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDYVSKS T0532 230 :MESNEDNL 3fdhA 252 :FTSADDQA T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQI 3fdhA 260 :AFDIYDSNNINPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNGSPDQST T0532 317 :KAYATEQYS 3fdhA 336 :SKYGISAFV T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3fdhA 345 :YAKTAPTLLMSYHELMFLKAEALCRLNRDAE T0532 365 :ASAYYKKAIRAHMEFIASNT 3fdhA 389 :AENSISIAIKELGSGLNTNS T0532 392 :HGHPITEEAIAAFLETPAIQLSGE 3fdhA 409 :SEVITETSAGKYFDDVVKAKYAAN T0532 419 :DIEKILTQRYLASFM 3fdhA 433 :PLQETMIQKYLAMWG T0532 434 :QHPYDVYYDYRRTGYPVLP 3fdhA 450 :GEATETYNDFRRMKGLNEN T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3fdhA 469 :FITLTNPNNSSKFPLRYPYGNSDTAANPEVKAAYGN T0532 494 :GVDDVNKLMWIL 3fdhA 505 :GDYVYSEPVWWA Number of specific fragments extracted= 17 number of extra gaps= 0 total=9178 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1411947193.pdb -s /var/tmp/to_scwrl_1411947193.seq -o /var/tmp/from_scwrl_1411947193.pdb > /var/tmp/scwrl_1411947193.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411947193.pdb Number of alignments=687 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNK T0532 213 :DLKVKERFAR 3fdhA 240 :DYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEG 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRS T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 315 :QVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQ 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGA T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 14 number of extra gaps= 0 total=9192 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1759683292.pdb -s /var/tmp/to_scwrl_1759683292.seq -o /var/tmp/from_scwrl_1759683292.pdb > /var/tmp/scwrl_1759683292.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1759683292.pdb Number of alignments=688 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVD T0532 300 :WDAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 311 :KKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 13 number of extra gaps= 0 total=9205 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1188129442.pdb -s /var/tmp/to_scwrl_1188129442.seq -o /var/tmp/from_scwrl_1188129442.pdb > /var/tmp/scwrl_1188129442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1188129442.pdb Number of alignments=689 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVA T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 318 :ANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 365 :ASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 374 :AEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 13 number of extra gaps= 0 total=9218 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1303152320.pdb -s /var/tmp/to_scwrl_1303152320.seq -o /var/tmp/from_scwrl_1303152320.pdb > /var/tmp/scwrl_1303152320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1303152320.pdb Number of alignments=690 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADS 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAAN T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 320 :DPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIKELGS T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 13 number of extra gaps= 0 total=9231 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1421096162.pdb -s /var/tmp/to_scwrl_1421096162.seq -o /var/tmp/from_scwrl_1421096162.pdb > /var/tmp/scwrl_1421096162.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421096162.pdb Number of alignments=691 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPS 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 330 :SPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 366 :SAYYKKAIRAHMEFIASNTPDEEV 3fdhA 375 :EDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQ 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGA T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3fdhA 451 :EATETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 13 number of extra gaps= 0 total=9244 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_12499575.pdb -s /var/tmp/to_scwrl_12499575.seq -o /var/tmp/from_scwrl_12499575.pdb > /var/tmp/scwrl_12499575.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_12499575.pdb Number of alignments=692 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAAND T0532 310 :LPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 321 :PSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GD 3fdhA 376 :DA T0532 369 :YKKAIRAHMEFIASNTPDEEV 3fdhA 378 :LKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 14 number of extra gaps= 0 total=9258 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1140294746.pdb -s /var/tmp/to_scwrl_1140294746.seq -o /var/tmp/from_scwrl_1140294746.pdb > /var/tmp/scwrl_1140294746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140294746.pdb Number of alignments=693 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 322 :SLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 367 :AYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 13 number of extra gaps= 0 total=9271 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2109534041.pdb -s /var/tmp/to_scwrl_2109534041.seq -o /var/tmp/from_scwrl_2109534041.pdb > /var/tmp/scwrl_2109534041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109534041.pdb Number of alignments=694 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDAD 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKS T0532 215 :KVKERFAR 3fdhA 239 :ADYEKVLD T0532 225 :ASGSLMESNEDNLQMKYADKANT 3fdhA 247 :YVSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQV T0532 306 :TDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 317 :AANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 395 :PITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 409 :SEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 14 number of extra gaps= 0 total=9285 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_117364361.pdb -s /var/tmp/to_scwrl_117364361.seq -o /var/tmp/from_scwrl_117364361.pdb > /var/tmp/scwrl_117364361.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_117364361.pdb Number of alignments=695 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKK 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINR T0532 209 :ESDADLKVKERFAR 3fdhA 236 :NKSADYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNE 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKR T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 314 :SQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWG T0532 438 :DVYYDYRRTGYPVLPINPAT 3fdhA 454 :ETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEA 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAY T0532 492 :FGGVDDVNKLMWI 3fdhA 503 :GNGDYVYSEPVWW T0532 505 :LQ 3fdhA 519 :SR Number of specific fragments extracted= 15 number of extra gaps= 0 total=9300 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1336326644.pdb -s /var/tmp/to_scwrl_1336326644.seq -o /var/tmp/from_scwrl_1336326644.pdb > /var/tmp/scwrl_1336326644.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1336326644.pdb Number of alignments=696 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDAD 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKS T0532 215 :KVKERFARIVA 3fdhA 239 :ADYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEG 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRS T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 315 :QVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETP 3fdhA 406 :TNSSEVITETSAGKYFDDV T0532 411 :QLSGEKEADIEKILTQRYLASFMQ 3fdhA 425 :VKAKYAANPLQETMIQKYLAMWGA T0532 436 :P 3fdhA 449 :S T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPE T0532 487 :ALERQFGGVDDVNKLMWIL 3fdhA 498 :VKAAYGNGDYVYSEPVWWA Number of specific fragments extracted= 16 number of extra gaps= 0 total=9316 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1688375650.pdb -s /var/tmp/to_scwrl_1688375650.seq -o /var/tmp/from_scwrl_1688375650.pdb > /var/tmp/scwrl_1688375650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1688375650.pdb Number of alignments=697 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 322 :SLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIKELGS T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 13 number of extra gaps= 0 total=9329 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1562790950.pdb -s /var/tmp/to_scwrl_1562790950.seq -o /var/tmp/from_scwrl_1562790950.pdb > /var/tmp/scwrl_1562790950.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1562790950.pdb Number of alignments=698 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDP 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPN T0532 318 :AYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 329 :GSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIKELGS T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMWIL 3fdhA 504 :NGDYVYSEPVWWA Number of specific fragments extracted= 13 number of extra gaps= 0 total=9342 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_228241094.pdb -s /var/tmp/to_scwrl_228241094.seq -o /var/tmp/from_scwrl_228241094.pdb > /var/tmp/scwrl_228241094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_228241094.pdb Number of alignments=699 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNK T0532 213 :DLKVKERFAR 3fdhA 240 :DYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEG 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRS T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 315 :QVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQ 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGA T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 14 number of extra gaps= 0 total=9356 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1766910558.pdb -s /var/tmp/to_scwrl_1766910558.seq -o /var/tmp/from_scwrl_1766910558.pdb > /var/tmp/scwrl_1766910558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766910558.pdb Number of alignments=700 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVD T0532 300 :WDAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 311 :KKRSQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9369 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_398726071.pdb -s /var/tmp/to_scwrl_398726071.seq -o /var/tmp/from_scwrl_398726071.pdb > /var/tmp/scwrl_398726071.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_398726071.pdb Number of alignments=701 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTA 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVA T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 318 :ANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 365 :ASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 374 :AEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9382 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1725300540.pdb -s /var/tmp/to_scwrl_1725300540.seq -o /var/tmp/from_scwrl_1725300540.pdb > /var/tmp/scwrl_1725300540.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1725300540.pdb Number of alignments=702 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADS 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAAN T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 320 :DPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIKELGS T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9395 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_729963744.pdb -s /var/tmp/to_scwrl_729963744.seq -o /var/tmp/from_scwrl_729963744.pdb > /var/tmp/scwrl_729963744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_729963744.pdb Number of alignments=703 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPS 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPNG T0532 319 :YATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 330 :SPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 366 :SAYYKKAIRAHMEFIASNTPDEEV 3fdhA 375 :EDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQ 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGA T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3fdhA 451 :EATETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9408 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_309124094.pdb -s /var/tmp/to_scwrl_309124094.seq -o /var/tmp/from_scwrl_309124094.pdb > /var/tmp/scwrl_309124094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309124094.pdb Number of alignments=704 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAAND T0532 310 :LPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 321 :PSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GD 3fdhA 376 :DA T0532 369 :YKKAIRAHMEFIASNTPDEEV 3fdhA 378 :LKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 14 number of extra gaps= 0 total=9422 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1069366105.pdb -s /var/tmp/to_scwrl_1069366105.seq -o /var/tmp/from_scwrl_1069366105.pdb > /var/tmp/scwrl_1069366105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1069366105.pdb Number of alignments=705 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 322 :SLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 367 :AYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9435 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_286239967.pdb -s /var/tmp/to_scwrl_286239967.seq -o /var/tmp/from_scwrl_286239967.pdb > /var/tmp/scwrl_286239967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286239967.pdb Number of alignments=706 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDAD 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKS T0532 215 :KVKERFAR 3fdhA 239 :ADYEKVLD T0532 225 :ASGSLMESNEDNLQMKYADKANT 3fdhA 247 :YVSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQV T0532 306 :TDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 317 :AANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 395 :PITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 409 :SEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 14 number of extra gaps= 0 total=9449 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1280102120.pdb -s /var/tmp/to_scwrl_1280102120.seq -o /var/tmp/from_scwrl_1280102120.pdb > /var/tmp/scwrl_1280102120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280102120.pdb Number of alignments=707 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKK 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINR T0532 209 :ESDADLKVKERFAR 3fdhA 236 :NKSADYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNE 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKR T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 314 :SQVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWG T0532 438 :DVYYDYRRTGYPVLPINPAT 3fdhA 454 :ETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEA 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAY T0532 492 :FGGVDDVNKLMW 3fdhA 503 :GNGDYVYSEPVW Number of specific fragments extracted= 14 number of extra gaps= 0 total=9463 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_479660798.pdb -s /var/tmp/to_scwrl_479660798.seq -o /var/tmp/from_scwrl_479660798.pdb > /var/tmp/scwrl_479660798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479660798.pdb Number of alignments=708 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDAD 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKS T0532 215 :KVKERFARIVA 3fdhA 239 :ADYEKVLDYVS T0532 228 :SLMESNEDNLQMKYADKANT 3fdhA 250 :KSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEG 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRS T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3fdhA 315 :QVAANDPSLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNR T0532 364 :DASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 373 :DAEDALKEAVVAGLLNAENSISIAIK T0532 390 :YHHGHPITEEAIAAFLETP 3fdhA 406 :TNSSEVITETSAGKYFDDV T0532 411 :QLSGEKEADIEKILTQRYLASFMQ 3fdhA 425 :VKAKYAANPLQETMIQKYLAMWGA T0532 436 :P 3fdhA 449 :S T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPE T0532 487 :ALERQFGGVDDVNKLMWI 3fdhA 498 :VKAAYGNGDYVYSEPVWW Number of specific fragments extracted= 16 number of extra gaps= 0 total=9479 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1436098585.pdb -s /var/tmp/to_scwrl_1436098585.seq -o /var/tmp/from_scwrl_1436098585.pdb > /var/tmp/scwrl_1436098585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1436098585.pdb Number of alignments=709 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDP T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 322 :SLVPAPNGSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIKELGS T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9492 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1349859900.pdb -s /var/tmp/to_scwrl_1349859900.seq -o /var/tmp/from_scwrl_1349859900.pdb > /var/tmp/scwrl_1349859900.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1349859900.pdb Number of alignments=710 # 3fdhA read from all-align.a2m # found chain 3fdhA in template set Warning: unaligning (T0532)K35 because first residue in template chain is (3fdhA)S39 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3fdhA)M168 Warning: unaligning (T0532)V146 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3fdhA)M168 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3fdhA 40 :VASRFILADVITSTAFSNASGDINTYASSYIEY T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3fdhA 83 :AEVRENEPSSSSTFNNSWNGIYSSLKNARIIIDQC T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3fdhA 122 :RDHGNDVTRGMAEVMAAYNCALIADFFGDAPCSQA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3fdhA 169 :TPKMDTQQEIYTQIISYLDDAIANLQKE T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3fdhA 200 :DVTEQDFLYAGDADKWLKFAYGLKARYTMRLINRSSNKSADYEKVLDY T0532 226 :SGSLMESNEDNLQMKYADKANT 3fdhA 248 :VSKSFTSADDQAAFDIYDSNNI T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDP 3fdhA 270 :NPFYGFYNSRAGFGASTSLGTKLLAYNDPRANRAFFTPIVDKKRSQVAANDPSLVPAPN T0532 318 :AYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3fdhA 329 :GSPDQSTSKYGISAFVYAKTAPTLLMSYHELMFLKAEALCRLNRD T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3fdhA 376 :DALKEAVVAGLLNAENSISIAIKELGS T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFMQHP 3fdhA 404 :LNTNSSEVITETSAGKYFDDVVKAKYAANPLQETMIQKYLAMWGASG T0532 437 :YDVYYDYRRTGYPVLPINPAT 3fdhA 453 :TETYNDFRRMKGLNENFITLT T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3fdhA 474 :NPNNSSKFPLRYPYGNSDTAANPEVKAAYG T0532 493 :GGVDDVNKLMW 3fdhA 504 :NGDYVYSEPVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9505 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1428310798.pdb -s /var/tmp/to_scwrl_1428310798.seq -o /var/tmp/from_scwrl_1428310798.pdb > /var/tmp/scwrl_1428310798.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1428310798.pdb Number of alignments=711 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)D31 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 32 :ATTKVTSSLLATGLLL 3gzsA 49 :VIYGAYLPNLEKSVIP T0532 48 :DITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3gzsA 73 :EPVNRYQIGVNLAGDAWAGYMSPRDNKFNGSKNFTNYFMYEN T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVN 3gzsA 140 :DEGTRN T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3gzsA 147 :EIYALAQIIKIAALHRTTDMFGPIPYSQVGK T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 178 :GSFKVAYDSQESVYRSFLKELEEAVQTLD T0532 173 :TAKDF 3gzsA 212 :SKEVL T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3gzsA 218 :AFDIVYNGDVNKWMRFANSLMLRLAIRVRFA T0532 212 :ADLKVKERFARIVASG 3gzsA 249 :DAGLAKEYAEKAVKHP T0532 228 :SLMES 3gzsA 266 :GLINS T0532 234 :EDNLQMKYAD 3gzsA 271 :KELAAQMGKG T0532 244 :KANTV 3gzsA 285 :MKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 320 :ATEQYSG 3gzsA 327 :FKAVRCG T0532 328 :NARYTDYP 3gzsA 334 :IAKSGDAY T0532 336 :SGEPVVRLGYAE 3gzsA 351 :EDDPLYWMKASE T0532 351 :ILAEAAVRGW 3gzsA 366 :LKAEGALAGF T0532 361 :ISGDASAYYKKAIRAHM 3gzsA 377 :MGGSAGDFYNAGIRMSF T0532 392 :HGHPITEEAIAAFLETPAIQL 3gzsA 394 :SENGLDNSSAETYLKDSTRKP T0532 413 :SGEKEADIEKILTQRYLASFMQ 3gzsA 440 :GATEEEKLERIITQKYLAIFPN T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDR 3gzsA 462 :GQEAWTEWRRTGYPRQIVVAENKTNSAVLI T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 499 :GVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 22 number of extra gaps= 0 total=9527 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1354853983.pdb -s /var/tmp/to_scwrl_1354853983.seq -o /var/tmp/from_scwrl_1354853983.pdb > /var/tmp/scwrl_1354853983.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1354853983.pdb Number of alignments=712 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 32 :ATTKVTSSLLATGLLL 3gzsA 49 :VIYGAYLPNLEKSVIP T0532 48 :DITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSG 3gzsA 73 :EPVNRYQIGVNLAGDAWAGYMSPRDNKFNGSKNFTNYFM T0532 87 :FGGYTTLINAQKMVESV 3gzsA 121 :SFMVTDVYSPWMQIKRI T0532 104 :SDDNVN 3gzsA 140 :DEGTRN T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3gzsA 147 :EIYALAQIIKIAALHRTTDMFGPIPYSQVGK T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 178 :GSFKVAYDSQESVYRSFLKELEEAVQTLD T0532 173 :TAKDF 3gzsA 212 :SKEVL T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3gzsA 218 :AFDIVYNGDVNKWMRFANSLMLRLAIRVRFA T0532 212 :AD 3gzsA 250 :AG T0532 215 :KVKERFARIVASG 3gzsA 252 :LAKEYAEKAVKHP T0532 228 :SLMES 3gzsA 266 :GLINS T0532 234 :EDNLQMKYADKA 3gzsA 271 :KELAAQMGKGAG T0532 246 :NTV 3gzsA 287 :NPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 320 :ATEQYSG 3gzsA 327 :FKAVRCG T0532 328 :NARYTDYPSGEPVVRLGYAE 3gzsA 343 :GFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGW 3gzsA 366 :LKAEGALAGF T0532 361 :ISGDASAYYKKAIRAHM 3gzsA 377 :MGGSAGDFYNAGIRMSF T0532 392 :HGHPITEEAIAAFLETPAIQL 3gzsA 394 :SENGLDNSSAETYLKDSTRKP T0532 413 :SGEKEADIEKILTQRYLASFMQ 3gzsA 440 :GATEEEKLERIITQKYLAIFPN T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDR 3gzsA 462 :GQEAWTEWRRTGYPRQIVVAENKTNSAVLI T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 499 :GVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 22 number of extra gaps= 0 total=9549 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_480620816.pdb -s /var/tmp/to_scwrl_480620816.seq -o /var/tmp/from_scwrl_480620816.pdb > /var/tmp/scwrl_480620816.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480620816.pdb Number of alignments=713 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 10 :LLLATALLASCDKFD 3gzsA 102 :GSKNFTNYFMYENWV T0532 83 :GRSGFGGYTTLINAQKMVESV 3gzsA 117 :NYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVN 3gzsA 140 :DEGTRN T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3gzsA 147 :EIYALAQIIKIAALHRTTDMFGPIPYSQVGK T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 178 :GSFKVAYDSQESVYRSFLKELEEAVQTLD T0532 173 :TAKDF 3gzsA 212 :SKEVL T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3gzsA 218 :AFDIVYNGDVNKWMRFANSLMLRLAIRVRFA T0532 212 :ADLKVKERFARIVASG 3gzsA 249 :DAGLAKEYAEKAVKHP T0532 228 :SLMES 3gzsA 266 :GLINS T0532 234 :EDNLQMKYAD 3gzsA 271 :KELAAQMGKG T0532 244 :KANTV 3gzsA 285 :MKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 320 :ATEQYSG 3gzsA 327 :FKAVRCG T0532 328 :NARYTDYP 3gzsA 334 :IAKSGDAY T0532 336 :SGEPVVRLGYAE 3gzsA 351 :EDDPLYWMKASE T0532 351 :ILAEAAVRGW 3gzsA 366 :LKAEGALAGF T0532 361 :ISGDASAYYKKAIRAHM 3gzsA 377 :MGGSAGDFYNAGIRMSF T0532 392 :HGHPITEEAIAAFLETPAIQL 3gzsA 394 :SENGLDNSSAETYLKDSTRKP T0532 413 :SGEKEADIEKILTQRYLASFMQ 3gzsA 440 :GATEEEKLERIITQKYLAIFPN T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDR 3gzsA 462 :GQEAWTEWRRTGYPRQIVVAENKTNSAVLI T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 499 :GVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 21 number of extra gaps= 0 total=9570 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_113416497.pdb -s /var/tmp/to_scwrl_113416497.seq -o /var/tmp/from_scwrl_113416497.pdb > /var/tmp/scwrl_113416497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_113416497.pdb Number of alignments=714 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 84 :RSGFGGYTTLINAQKMVESV 3gzsA 118 :YVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVN 3gzsA 140 :DEGTRN T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3gzsA 147 :EIYALAQIIKIAALHRTTDMFGPIPYSQVGK T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 178 :GSFKVAYDSQESVYRSFLKELEEAVQTLD T0532 173 :TAKDF 3gzsA 212 :SKEVL T0532 178 :DGDPILGGSISKWKKATTAFQLKVLMHLSKK 3gzsA 218 :AFDIVYNGDVNKWMRFANSLMLRLAIRVRFA T0532 212 :AD 3gzsA 250 :AG T0532 215 :KVKERFARIVASG 3gzsA 252 :LAKEYAEKAVKHP T0532 228 :SLMES 3gzsA 266 :GLINS T0532 234 :EDNLQMKYADKA 3gzsA 271 :KELAAQMGKGAG T0532 246 :NTV 3gzsA 287 :NPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 320 :ATEQYSG 3gzsA 327 :FKAVRCG T0532 328 :NARYTDYPSGEPVVRLGYAE 3gzsA 343 :GFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGW 3gzsA 366 :LKAEGALAGF T0532 361 :ISGDASAYYKKAIRAHM 3gzsA 377 :MGGSAGDFYNAGIRMSF T0532 392 :HGHPITEEAIAAFLETPAIQL 3gzsA 394 :SENGLDNSSAETYLKDSTRKP T0532 413 :SGEKEADIEKILTQRYLASFMQ 3gzsA 440 :GATEEEKLERIITQKYLAIFPN T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDR 3gzsA 462 :GQEAWTEWRRTGYPRQIVVAENKTNSAVLI T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 499 :GVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 20 number of extra gaps= 0 total=9590 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1577067409.pdb -s /var/tmp/to_scwrl_1577067409.seq -o /var/tmp/from_scwrl_1577067409.pdb > /var/tmp/scwrl_1577067409.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1577067409.pdb Number of alignments=715 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSS 3gzsA 49 :VIYGAYLPNLEKSVIPIG T0532 54 :ASKSFIYDELLAKQMAW 3gzsA 79 :QIGVNLAGDAWAGYMSP T0532 71 :GESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 108 :NYFMYENWVNYVYSFMVTDVYSPWMQIKRISQDEGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDYSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 217 :PAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFH 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPLK T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 291 :VINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 327 :FKAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWI 3gzsA 366 :LKAEGALAGFD T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPIT 3gzsA 378 :GGSAGDFYNAGIRMSFSENGLDNSSAETYLKDSTRK T0532 398 :EEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 425 :LSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAENKTN T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 494 :GYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=9603 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_93821793.pdb -s /var/tmp/to_scwrl_93821793.seq -o /var/tmp/from_scwrl_93821793.pdb > /var/tmp/scwrl_93821793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_93821793.pdb Number of alignments=716 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSS 3gzsA 49 :VIYGAYLPNLEKSVIPIG T0532 54 :ASKSFIYDELLAKQMAW 3gzsA 79 :QIGVNLAGDAWAGYMSP T0532 71 :GESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 108 :NYFMYENWVNYVYSFMVTDVYSPWMQIKRISQDEGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDYSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 217 :PAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFH 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPLK T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 291 :VINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 327 :FKAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWI 3gzsA 366 :LKAEGALAGFD T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPI 3gzsA 378 :GGSAGDFYNAGIRMSFSENGLDNSSAETYLKDSTR T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 424 :ELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAENKTN T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 494 :GYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=9616 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_719851922.pdb -s /var/tmp/to_scwrl_719851922.seq -o /var/tmp/from_scwrl_719851922.pdb > /var/tmp/scwrl_719851922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_719851922.pdb Number of alignments=717 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSS 3gzsA 49 :VIYGAYLPNLEKSVIPIG T0532 54 :ASKSFIYDELLAKQMAW 3gzsA 79 :QIGVNLAGDAWAGYMSP T0532 71 :GESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 108 :NYFMYENWVNYVYSFMVTDVYSPWMQIKRISQDEGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDYSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 217 :PAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFH 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPLK T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 291 :VINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 327 :FKAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWI 3gzsA 366 :LKAEGALAGFD T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPIT 3gzsA 378 :GGSAGDFYNAGIRMSFSENGLDNSSAETYLKDSTRK T0532 398 :EEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 425 :LSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAENKTN T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 494 :GYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9629 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_841530957.pdb -s /var/tmp/to_scwrl_841530957.seq -o /var/tmp/from_scwrl_841530957.pdb > /var/tmp/scwrl_841530957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841530957.pdb Number of alignments=718 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSS 3gzsA 49 :VIYGAYLPNLEKSVIPIG T0532 54 :ASKSFIYDELLAKQMAW 3gzsA 79 :QIGVNLAGDAWAGYMSP T0532 71 :GESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 108 :NYFMYENWVNYVYSFMVTDVYSPWMQIKRISQDEGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDYSN T0532 177 :FDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 217 :PAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFH 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPLK T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 291 :VINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 327 :FKAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWI 3gzsA 366 :LKAEGALAGFD T0532 362 :SGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPI 3gzsA 378 :GGSAGDFYNAGIRMSFSENGLDNSSAETYLKDSTR T0532 397 :TEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 424 :ELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPATNRN 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAENKTN T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 494 :GYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=9642 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1853505085.pdb -s /var/tmp/to_scwrl_1853505085.seq -o /var/tmp/from_scwrl_1853505085.pdb > /var/tmp/scwrl_1853505085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1853505085.pdb Number of alignments=719 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set T0532 416 :KEADIEKILTQRYLASF 3gzsA 443 :EEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLPINPATNRNT 3gzsA 460 :PNGQEAWTEWRRTGYPRQIVVAENKTNS T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 495 :YDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 3 number of extra gaps= 0 total=9645 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1907981365.pdb -s /var/tmp/to_scwrl_1907981365.seq -o /var/tmp/from_scwrl_1907981365.pdb > /var/tmp/scwrl_1907981365.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1907981365.pdb Number of alignments=720 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQGEL 3gzsA 148 :IYALAQIIKIAALHRTTDMFGPIPYSQVGKGSF T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 181 :KVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLS 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVR T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGT 3gzsA 247 :FADAGLAKEYAEKAVKHPAGLINSKELAAQMGKGAGLQMKNPLKVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGFKAVRCGIAKSGDAYNGF T0532 328 :NA 3gzsA 345 :TR T0532 332 :TDYPSGEPVVRLGYAE 3gzsA 347 :PNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGW 3gzsA 366 :LKAEGALAGF T0532 361 :ISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHP 3gzsA 377 :MGGSAGDFYNAGIRMSFSENGLDNSSAETYLKDST T0532 399 :EAIAAFLETPAIQLS 3gzsA 412 :RKPANYTDTSNGELS T0532 414 :GEKEADIEKILTQRYLASFMQ 3gzsA 441 :ATEEEKLERIITQKYLAIFPN T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTM 3gzsA 462 :GQEAWTEWRRTGYPRQIVVAENKTNSA T0532 463 :NDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 496 :DLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 12 number of extra gaps= 0 total=9657 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2144683277.pdb -s /var/tmp/to_scwrl_2144683277.seq -o /var/tmp/from_scwrl_2144683277.pdb > /var/tmp/scwrl_2144683277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2144683277.pdb Number of alignments=721 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 38 :SSLLATGLLLDIT 3gzsA 51 :YGAYLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 455 :PATNRNTMND 3gzsA 487 :SAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9678 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1127117600.pdb -s /var/tmp/to_scwrl_1127117600.seq -o /var/tmp/from_scwrl_1127117600.pdb > /var/tmp/scwrl_1127117600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1127117600.pdb Number of alignments=722 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9699 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1920480940.pdb -s /var/tmp/to_scwrl_1920480940.seq -o /var/tmp/from_scwrl_1920480940.pdb > /var/tmp/scwrl_1920480940.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1920480940.pdb Number of alignments=723 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9720 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1137494377.pdb -s /var/tmp/to_scwrl_1137494377.seq -o /var/tmp/from_scwrl_1137494377.pdb > /var/tmp/scwrl_1137494377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1137494377.pdb Number of alignments=724 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 455 :PATNRNTMND 3gzsA 487 :SAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9741 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1089167994.pdb -s /var/tmp/to_scwrl_1089167994.seq -o /var/tmp/from_scwrl_1089167994.pdb > /var/tmp/scwrl_1089167994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1089167994.pdb Number of alignments=725 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 457 :TNRNTMND 3gzsA 489 :VLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9762 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2037845301.pdb -s /var/tmp/to_scwrl_2037845301.seq -o /var/tmp/from_scwrl_2037845301.pdb > /var/tmp/scwrl_2037845301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2037845301.pdb Number of alignments=726 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9783 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_326337375.pdb -s /var/tmp/to_scwrl_326337375.seq -o /var/tmp/from_scwrl_326337375.pdb > /var/tmp/scwrl_326337375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_326337375.pdb Number of alignments=727 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9804 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_630059998.pdb -s /var/tmp/to_scwrl_630059998.seq -o /var/tmp/from_scwrl_630059998.pdb > /var/tmp/scwrl_630059998.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_630059998.pdb Number of alignments=728 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 38 :SSLLATGLLLDIT 3gzsA 51 :YGAYLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 454 :NPATNRNTMND 3gzsA 486 :NSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9825 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1453152604.pdb -s /var/tmp/to_scwrl_1453152604.seq -o /var/tmp/from_scwrl_1453152604.pdb > /var/tmp/scwrl_1453152604.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453152604.pdb Number of alignments=729 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 54 :YLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 108 :NYFMYENWVN T0532 90 :Y 3gzsA 120 :Y T0532 91 :TTLINAQKMVESV 3gzsA 125 :TDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPFEQIE 3gzsA 325 :NGFKAVRCGIAKSGDA T0532 321 :TEQYSGFN 3gzsA 341 :YNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 455 :PATNRNTMND 3gzsA 487 :SAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 22 number of extra gaps= 0 total=9847 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_554578469.pdb -s /var/tmp/to_scwrl_554578469.seq -o /var/tmp/from_scwrl_554578469.pdb > /var/tmp/scwrl_554578469.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554578469.pdb Number of alignments=730 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 54 :YLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 108 :NYFMYENWVN T0532 90 :Y 3gzsA 120 :Y T0532 91 :TTLINAQKMVESV 3gzsA 122 :FMVTDVYSPWMQI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTN 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVIN T0532 257 :KHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 294 :EEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 301 :DAYIGTDPSLPFEQIEKAYATE 3gzsA 327 :FKAVRCGIAKSGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 456 :ATNRNTMNDR 3gzsA 487 :SAVLIGNGYD T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 499 :GVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9868 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_249486909.pdb -s /var/tmp/to_scwrl_249486909.seq -o /var/tmp/from_scwrl_249486909.pdb > /var/tmp/scwrl_249486909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_249486909.pdb Number of alignments=731 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9889 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1851878675.pdb -s /var/tmp/to_scwrl_1851878675.seq -o /var/tmp/from_scwrl_1851878675.pdb > /var/tmp/scwrl_1851878675.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1851878675.pdb Number of alignments=732 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 40 :LLATGLLLDIT 3gzsA 53 :AYLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW T0532 504 :ILQ 3gzsA 540 :KSK Number of specific fragments extracted= 21 number of extra gaps= 0 total=9910 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_132395363.pdb -s /var/tmp/to_scwrl_132395363.seq -o /var/tmp/from_scwrl_132395363.pdb > /var/tmp/scwrl_132395363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_132395363.pdb Number of alignments=733 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 38 :SSLLATGLLLDIT 3gzsA 51 :YGAYLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 455 :PATNRNTMND 3gzsA 487 :SAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=9930 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_979450653.pdb -s /var/tmp/to_scwrl_979450653.seq -o /var/tmp/from_scwrl_979450653.pdb > /var/tmp/scwrl_979450653.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_979450653.pdb Number of alignments=734 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=9950 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_13519122.pdb -s /var/tmp/to_scwrl_13519122.seq -o /var/tmp/from_scwrl_13519122.pdb > /var/tmp/scwrl_13519122.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_13519122.pdb Number of alignments=735 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWD Number of specific fragments extracted= 20 number of extra gaps= 0 total=9970 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1201761467.pdb -s /var/tmp/to_scwrl_1201761467.seq -o /var/tmp/from_scwrl_1201761467.pdb > /var/tmp/scwrl_1201761467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201761467.pdb Number of alignments=736 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 455 :PATNRNTMND 3gzsA 487 :SAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWD Number of specific fragments extracted= 20 number of extra gaps= 0 total=9990 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1265690619.pdb -s /var/tmp/to_scwrl_1265690619.seq -o /var/tmp/from_scwrl_1265690619.pdb > /var/tmp/scwrl_1265690619.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1265690619.pdb Number of alignments=737 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 457 :TNRNTMND 3gzsA 489 :VLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=10010 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1293621242.pdb -s /var/tmp/to_scwrl_1293621242.seq -o /var/tmp/from_scwrl_1293621242.pdb > /var/tmp/scwrl_1293621242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1293621242.pdb Number of alignments=738 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=10030 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1681422265.pdb -s /var/tmp/to_scwrl_1681422265.seq -o /var/tmp/from_scwrl_1681422265.pdb > /var/tmp/scwrl_1681422265.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1681422265.pdb Number of alignments=739 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)L40 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=10050 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_554305558.pdb -s /var/tmp/to_scwrl_554305558.seq -o /var/tmp/from_scwrl_554305558.pdb > /var/tmp/scwrl_554305558.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_554305558.pdb Number of alignments=740 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 38 :SSLLATGLLLDIT 3gzsA 51 :YGAYLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 454 :NPATNRNTMND 3gzsA 486 :NSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=10070 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_495997497.pdb -s /var/tmp/to_scwrl_495997497.seq -o /var/tmp/from_scwrl_495997497.pdb > /var/tmp/scwrl_495997497.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495997497.pdb Number of alignments=741 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 54 :YLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 108 :NYFMYENWVN T0532 90 :Y 3gzsA 120 :Y T0532 91 :TTLINAQKMVESV 3gzsA 125 :TDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPFEQIE 3gzsA 325 :NGFKAVRCGIAKSGDA T0532 321 :TEQYSGFN 3gzsA 341 :YNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 455 :PATNRNTMND 3gzsA 487 :SAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 21 number of extra gaps= 0 total=10091 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_962249417.pdb -s /var/tmp/to_scwrl_962249417.seq -o /var/tmp/from_scwrl_962249417.pdb > /var/tmp/scwrl_962249417.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_962249417.pdb Number of alignments=742 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 54 :YLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 108 :NYFMYENWVN T0532 90 :Y 3gzsA 120 :Y T0532 91 :TTLINAQKMVESV 3gzsA 122 :FMVTDVYSPWMQI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTN 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVIN T0532 257 :KHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3gzsA 294 :EEYNDTRMGATIYSYLAGYNDARAAVYFVKNNG T0532 301 :DAYIGTDPSLPFEQIEKAYATE 3gzsA 327 :FKAVRCGIAKSGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 456 :ATNRNTMNDR 3gzsA 487 :SAVLIGNGYD T0532 466 :LPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 499 :GVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=10111 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1909159542.pdb -s /var/tmp/to_scwrl_1909159542.seq -o /var/tmp/from_scwrl_1909159542.pdb > /var/tmp/scwrl_1909159542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1909159542.pdb Number of alignments=743 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 41 :LATGLLLDIT 3gzsA 49 :VIYGAYLPNL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=10131 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_976618313.pdb -s /var/tmp/to_scwrl_976618313.seq -o /var/tmp/from_scwrl_976618313.pdb > /var/tmp/scwrl_976618313.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_976618313.pdb Number of alignments=744 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 40 :LLATGLLLDIT 3gzsA 53 :AYLPNLEKSVI T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3gzsA 76 :NRYQIGVNLAGDAWAGYMSPRDNKFNGSK T0532 80 :NVFGRSGFGG 3gzsA 113 :ENWVNYVYSF T0532 90 :YTTLINAQKMVESV 3gzsA 124 :VTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVG T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3gzsA 177 :KGSFKVAYDSQESVYRSFLKELEEAVQTLDDYSNKSK T0532 180 :DPILGGSISKWKKATTAFQLKVLMHLSKKESDA 3gzsA 220 :DIVYNGDVNKWMRFANSLMLRLAIRVRFADAGL T0532 216 :VKERFARIVASG 3gzsA 253 :AKEYAEKAVKHP T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTK 3gzsA 266 :GLINSKELAAQMGKGAGLQMKNPLKVINEE T0532 259 :AGYAMLSTMLIDKFKATGDIRMFYYAKPA 3gzsA 296 :YNDTRMGATIYSYLAGYNDARAAVYFVKN T0532 301 :DAYIGTDPSLPF 3gzsA 325 :NGFKAVRCGIAK T0532 317 :KAYATEQYSGFN 3gzsA 337 :SGDAYNGFTRPN T0532 334 :YPSGEPVVRLGYAE 3gzsA 349 :VHEDDPLYWMKASE T0532 351 :ILAEAAVRG 3gzsA 366 :LKAEGALAG T0532 360 :WISGDASAYYKKAIRAHMEFIASNTPD 3gzsA 376 :DMGGSAGDFYNAGIRMSFSENGLDNSS T0532 387 :EEVYHHGHPITEEAIAAF 3gzsA 404 :ETYLKDSTRKPANYTDTS T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASF 3gzsA 432 :SITIRWENGATEEEKLERIITQKYLAIF T0532 434 :QHPYDVYYDYRRTGYPVLP 3gzsA 460 :PNGQEAWTEWRRTGYPRQI T0532 453 :INPATNRNTMND 3gzsA 485 :TNSAVLIGNGYD T0532 465 :RLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 498 :GGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 20 number of extra gaps= 0 total=10151 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1075665913.pdb -s /var/tmp/to_scwrl_1075665913.seq -o /var/tmp/from_scwrl_1075665913.pdb > /var/tmp/scwrl_1075665913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1075665913.pdb Number of alignments=745 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWD Number of specific fragments extracted= 13 number of extra gaps= 0 total=10164 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1338743304.pdb -s /var/tmp/to_scwrl_1338743304.seq -o /var/tmp/from_scwrl_1338743304.pdb > /var/tmp/scwrl_1338743304.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1338743304.pdb Number of alignments=746 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10177 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1070440106.pdb -s /var/tmp/to_scwrl_1070440106.seq -o /var/tmp/from_scwrl_1070440106.pdb > /var/tmp/scwrl_1070440106.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1070440106.pdb Number of alignments=747 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10190 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1795517836.pdb -s /var/tmp/to_scwrl_1795517836.seq -o /var/tmp/from_scwrl_1795517836.pdb > /var/tmp/scwrl_1795517836.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1795517836.pdb Number of alignments=748 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10203 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_32790614.pdb -s /var/tmp/to_scwrl_32790614.seq -o /var/tmp/from_scwrl_32790614.pdb > /var/tmp/scwrl_32790614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_32790614.pdb Number of alignments=749 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10216 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_776461544.pdb -s /var/tmp/to_scwrl_776461544.seq -o /var/tmp/from_scwrl_776461544.pdb > /var/tmp/scwrl_776461544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_776461544.pdb Number of alignments=750 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10229 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1556015554.pdb -s /var/tmp/to_scwrl_1556015554.seq -o /var/tmp/from_scwrl_1556015554.pdb > /var/tmp/scwrl_1556015554.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1556015554.pdb Number of alignments=751 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10242 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_29990245.pdb -s /var/tmp/to_scwrl_29990245.seq -o /var/tmp/from_scwrl_29990245.pdb > /var/tmp/scwrl_29990245.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_29990245.pdb Number of alignments=752 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10255 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1903579144.pdb -s /var/tmp/to_scwrl_1903579144.seq -o /var/tmp/from_scwrl_1903579144.pdb > /var/tmp/scwrl_1903579144.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1903579144.pdb Number of alignments=753 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEPVNRYQIG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWIL 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWD Number of specific fragments extracted= 13 number of extra gaps= 0 total=10268 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1329012847.pdb -s /var/tmp/to_scwrl_1329012847.seq -o /var/tmp/from_scwrl_1329012847.pdb > /var/tmp/scwrl_1329012847.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329012847.pdb Number of alignments=754 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEPVNRYQIG T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMV T0532 91 :TTLINAQKMVESV 3gzsA 126 :DVYSPWMQIKRIS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 14 number of extra gaps= 0 total=10282 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1167484622.pdb -s /var/tmp/to_scwrl_1167484622.seq -o /var/tmp/from_scwrl_1167484622.pdb > /var/tmp/scwrl_1167484622.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1167484622.pdb Number of alignments=755 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10295 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_845263492.pdb -s /var/tmp/to_scwrl_845263492.seq -o /var/tmp/from_scwrl_845263492.pdb > /var/tmp/scwrl_845263492.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_845263492.pdb Number of alignments=756 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWWDK Number of specific fragments extracted= 13 number of extra gaps= 0 total=10308 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1219374501.pdb -s /var/tmp/to_scwrl_1219374501.seq -o /var/tmp/from_scwrl_1219374501.pdb > /var/tmp/scwrl_1219374501.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1219374501.pdb Number of alignments=757 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10321 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1493821997.pdb -s /var/tmp/to_scwrl_1493821997.seq -o /var/tmp/from_scwrl_1493821997.pdb > /var/tmp/scwrl_1493821997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1493821997.pdb Number of alignments=758 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10334 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1475323489.pdb -s /var/tmp/to_scwrl_1475323489.seq -o /var/tmp/from_scwrl_1475323489.pdb > /var/tmp/scwrl_1475323489.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475323489.pdb Number of alignments=759 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10347 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_525043459.pdb -s /var/tmp/to_scwrl_525043459.seq -o /var/tmp/from_scwrl_525043459.pdb > /var/tmp/scwrl_525043459.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_525043459.pdb Number of alignments=760 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10360 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2048400466.pdb -s /var/tmp/to_scwrl_2048400466.seq -o /var/tmp/from_scwrl_2048400466.pdb > /var/tmp/scwrl_2048400466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2048400466.pdb Number of alignments=761 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10373 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1724810398.pdb -s /var/tmp/to_scwrl_1724810398.seq -o /var/tmp/from_scwrl_1724810398.pdb > /var/tmp/scwrl_1724810398.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1724810398.pdb Number of alignments=762 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10386 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_229438488.pdb -s /var/tmp/to_scwrl_229438488.seq -o /var/tmp/from_scwrl_229438488.pdb > /var/tmp/scwrl_229438488.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229438488.pdb Number of alignments=763 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10399 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_33312182.pdb -s /var/tmp/to_scwrl_33312182.seq -o /var/tmp/from_scwrl_33312182.pdb > /var/tmp/scwrl_33312182.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_33312182.pdb Number of alignments=764 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLDDY T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10412 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_556777405.pdb -s /var/tmp/to_scwrl_556777405.seq -o /var/tmp/from_scwrl_556777405.pdb > /var/tmp/scwrl_556777405.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_556777405.pdb Number of alignments=765 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEPVNRYQIG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10425 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_242957610.pdb -s /var/tmp/to_scwrl_242957610.seq -o /var/tmp/from_scwrl_242957610.pdb > /var/tmp/scwrl_242957610.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_242957610.pdb Number of alignments=766 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEPVNRYQIG T0532 69 :AWGESMEDYQYNVFGRSGFGGY 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMV T0532 91 :TTLINAQKMVESV 3gzsA 126 :DVYSPWMQIKRIS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMWI 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVWW Number of specific fragments extracted= 14 number of extra gaps= 0 total=10439 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1235073650.pdb -s /var/tmp/to_scwrl_1235073650.seq -o /var/tmp/from_scwrl_1235073650.pdb > /var/tmp/scwrl_1235073650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235073650.pdb Number of alignments=767 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10452 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1822468024.pdb -s /var/tmp/to_scwrl_1822468024.seq -o /var/tmp/from_scwrl_1822468024.pdb > /var/tmp/scwrl_1822468024.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1822468024.pdb Number of alignments=768 # 3gzsA read from all-align.a2m # found chain 3gzsA in template set Warning: unaligning (T0532)A42 because first residue in template chain is (3gzsA)G48 Warning: unaligning (T0532)Q348 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3gzsA)F365 Warning: unaligning (T0532)F350 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3gzsA)F365 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3gzsA 49 :VIYGAYLPNLEKSVIPIGTASESTEP T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3gzsA 103 :SKNFTNYFMYENWVNYVYSFMVTDVYSPWMQIKRI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3gzsA 141 :EGTRNDEIYALAQIIKIAALHRTTDMFGPIPYSQVGKG T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFS 3gzsA 179 :SFKVAYDSQESVYRSFLKELEEAVQTLD T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3gzsA 215 :VLPAFDIVYNGDVNKWMRFANSLMLRLAIRVRFADAGLAKEYAEKAVK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3gzsA 263 :HPAGLINSKELAAQMGKGAGLQMKNPL T0532 253 :NTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3gzsA 290 :KVINEEYNDTRMGATIYSYLAGYNDARAAVYFVKNNGF T0532 313 :EQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAE 3gzsA 328 :KAVRCGIAKSGDAYNGFTRPNVHEDDPLYWMKASE T0532 351 :ILAEAAVRGWIS 3gzsA 366 :LKAEGALAGFDM T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3gzsA 379 :GSAGDFYNAGIRMSFSENGLDNSSAET T0532 390 :YHHGHPITEEAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3gzsA 417 :YTDTSNGELSANAPSSITIRWENGATEEEKLERIITQKYLAIFP T0532 435 :HPYDVYYDYRRTGYPVLPINPAT 3gzsA 461 :NGQEAWTEWRRTGYPRQIVVAEN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFGGVDDVNKLMW 3gzsA 491 :IGNGYDLGGVRRLPYPRTEYEQNGENLHNAISQYLGGVDNAATKVW Number of specific fragments extracted= 13 number of extra gaps= 0 total=10465 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1536578853.pdb -s /var/tmp/to_scwrl_1536578853.seq -o /var/tmp/from_scwrl_1536578853.pdb > /var/tmp/scwrl_1536578853.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1536578853.pdb Number of alignments=769 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)P311 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 25 :EINTDPDATTKVTSSLLATGLLLDI 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALA T0532 50 :TSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3hdxA 67 :NTHWICGDLRKGDFTVYKRSDLQAVSDNELNKPYDL T0532 86 :GFGG 3hdxA 104 :KKVS T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQ T0532 179 :GDPILGGSI 3hdxA 219 :YGAQWQGKL T0532 188 :SKW 3hdxA 229 :NKL T0532 193 :ATTAFQLKVLMHLSK 3hdxA 232 :SAYSVLAHICAWQGN T0532 213 :DLKVKERFARIVASG 3hdxA 247 :YAEAETYSAFIIDHA T0532 228 :SLMESNEDNLQMKYADK 3hdxA 263 :EINAKYTSIADLTSETG T0532 245 :ANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3hdxA 311 :EQLTLAYPLVQKSYPEIYISKDSLFSIFTNFDDLRFGIIDTIKYS T0532 291 :LNEGVTADSWDAYIGTDPSL 3hdxA 356 :SYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDE 3hdxA 424 :IRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASFMQHP 3hdxA 439 :FGNNRESLIAEIFEERRRELMGEGW T0532 439 :VYYDYRRTGYPVLPINPA 3hdxA 464 :RWYDLVRRQKLMKDNEAF T0532 460 :NTMNDRLPMRWMYPKSESDY 3hdxA 482 :LRLISSGGIYWPVSEDIITA T0532 485 :NEALE 3hdxA 502 :NSQIE T0532 499 :NKLMW 3hdxA 507 :QNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10484 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_769012269.pdb -s /var/tmp/to_scwrl_769012269.seq -o /var/tmp/from_scwrl_769012269.pdb > /var/tmp/scwrl_769012269.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_769012269.pdb Number of alignments=770 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)P311 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 25 :EINTDPDATTKVTSSLLATGL 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 46 :LLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3hdxA 63 :LADNNTHWICGDLRKGDFTVYKRSDLQAVSDNELNKPYDL T0532 86 :GFG 3hdxA 104 :KKV T0532 89 :GYTTLINAQKMVESV 3hdxA 112 :FYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQ T0532 179 :GDPILGGSI 3hdxA 219 :YGAQWQGKL T0532 188 :SKW 3hdxA 229 :NKL T0532 193 :ATTAFQLKVLMHLSK 3hdxA 232 :SAYSVLAHICAWQGN T0532 213 :DLKVKERFARIVASG 3hdxA 247 :YAEAETYSAFIIDHA T0532 228 :SLMESNEDNLQMKYADK 3hdxA 263 :EINAKYTSIADLTSETG T0532 245 :ANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3hdxA 311 :EQLTLAYPLVQKSYPEIYISKDSLFSIFTNFDDLRFGIIDTIKYS T0532 291 :LNEGVTADSWDAYIGTDPSL 3hdxA 356 :SYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDE 3hdxA 424 :IRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASFMQHP 3hdxA 439 :FGNNRESLIAEIFEERRRELMGEGW T0532 439 :VYYDYRRTGYPVLPINPA 3hdxA 464 :RWYDLVRRQKLMKDNEAF T0532 460 :NTMNDRLPMRWMYPKSESDY 3hdxA 482 :LRLISSGGIYWPVSEDIITA T0532 485 :NEALE 3hdxA 502 :NSQIE T0532 499 :NKLMW 3hdxA 507 :QNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10503 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_229289936.pdb -s /var/tmp/to_scwrl_229289936.seq -o /var/tmp/from_scwrl_229289936.pdb > /var/tmp/scwrl_229289936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_229289936.pdb Number of alignments=771 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)P311 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 25 :EINTDPDATTKVTSSLLATGLLLDI 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALA T0532 50 :TSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3hdxA 67 :NTHWICGDLRKGDFTVYKRSDLQAVSDNELNKPYDL T0532 86 :GFGG 3hdxA 104 :KKVS T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQ T0532 179 :GDPILGGSI 3hdxA 219 :YGAQWQGKL T0532 188 :SKW 3hdxA 229 :NKL T0532 193 :ATTAFQLKVLMHLSK 3hdxA 232 :SAYSVLAHICAWQGN T0532 213 :DLKVKERFARIVASG 3hdxA 247 :YAEAETYSAFIIDHA T0532 228 :SLMESNEDNLQMKYADK 3hdxA 263 :EINAKYTSIADLTSETG T0532 245 :ANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3hdxA 311 :EQLTLAYPLVQKSYPEIYISKDSLFSIFTNFDDLRFGIIDTIKYS T0532 291 :LNEGVTADSWDAYIGTDPSL 3hdxA 356 :SYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDE 3hdxA 424 :IRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASFMQHP 3hdxA 439 :FGNNRESLIAEIFEERRRELMGEGW T0532 439 :VYYDYRRTGYPVLPINPA 3hdxA 464 :RWYDLVRRQKLMKDNEAF T0532 460 :NTMNDRLPMRWMYPKSESDYN 3hdxA 482 :LRLISSGGIYWPVSEDIITAN Number of specific fragments extracted= 17 number of extra gaps= 0 total=10520 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2032576350.pdb -s /var/tmp/to_scwrl_2032576350.seq -o /var/tmp/from_scwrl_2032576350.pdb > /var/tmp/scwrl_2032576350.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032576350.pdb Number of alignments=772 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)P311 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 25 :EINTDPDATTKVTSSLLATGL 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 46 :LLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3hdxA 63 :LADNNTHWICGDLRKGDFTVYKRSDLQAVSDNELNKPYDL T0532 86 :GFG 3hdxA 104 :KKV T0532 89 :GYTTLINAQKMVESV 3hdxA 112 :FYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQ T0532 179 :GDPILGGSI 3hdxA 219 :YGAQWQGKL T0532 188 :SKW 3hdxA 229 :NKL T0532 193 :ATTAFQLKVLMHLSK 3hdxA 232 :SAYSVLAHICAWQGN T0532 213 :DLKVKERFARIVASG 3hdxA 247 :YAEAETYSAFIIDHA T0532 228 :SLMESNEDNLQMKYADK 3hdxA 263 :EINAKYTSIADLTSETG T0532 245 :ANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKA 3hdxA 311 :EQLTLAYPLVQKSYPEIYISKDSLFSIFTNFDDLRFGIIDTIKYS T0532 291 :LNEGVTADSWDAYIGTDPSL 3hdxA 356 :SYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDE 3hdxA 424 :IRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASFMQHP 3hdxA 439 :FGNNRESLIAEIFEERRRELMGEGW T0532 439 :VYYDYRRTGYPVLPINPA 3hdxA 464 :RWYDLVRRQKLMKDNEAF T0532 460 :NTMNDRLPMRWMYPKSESDYNLE 3hdxA 482 :LRLISSGGIYWPVSEDIITANSQ Number of specific fragments extracted= 17 number of extra gaps= 0 total=10537 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1731261686.pdb -s /var/tmp/to_scwrl_1731261686.seq -o /var/tmp/from_scwrl_1731261686.pdb > /var/tmp/scwrl_1731261686.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1731261686.pdb Number of alignments=773 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)L310 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 1 :MKRINKYISLLLATALLAS 3hdxA 42 :WKTLEDTRSALMGVYGLTR T0532 27 :NTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGR 3hdxA 61 :AALADNNTHWICGDLRKGDFTVYKRSDLQAVSDNELNKPYDLLKKVSNWRRFYAVINA T0532 90 :YTTLINAQKMVE 3hdxA 119 :ASVFMEKAPRTV T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3hdxA 135 :SYSEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYG T0532 177 :FDGDPILGGSISKW 3hdxA 218 :SYGAQWQGKLFNKL T0532 193 :ATTAFQLKVLMHLS 3hdxA 232 :SAYSVLAHICAWQG T0532 212 :ADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3hdxA 246 :NYAEAETYSAFIIDHASEINAKYTSIADLTSETGLFYSNASVKGSRIL T0532 260 :GYAMLSTMLIDKFKAT 3hdxA 325 :PEIYISKDSLFSIFTN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPS 3hdxA 343 :DLRFGIIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHME 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNMIRTNRGL T0532 408 :PAIQ 3hdxA 431 :REVS T0532 412 :LSGEKEADIEKILTQRYLASFMQ 3hdxA 439 :FGNNRESLIAEIFEERRRELMGE T0532 437 :YDVYYDYRRTGYPVLPINPATNR 3hdxA 462 :GWRWYDLVRRQKLMKDNEAFLRL T0532 495 :VDDVNKLMWILQ 3hdxA 485 :ISSGGIYWPVSE Number of specific fragments extracted= 14 number of extra gaps= 0 total=10551 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2138449478.pdb -s /var/tmp/to_scwrl_2138449478.seq -o /var/tmp/from_scwrl_2138449478.pdb > /var/tmp/scwrl_2138449478.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138449478.pdb Number of alignments=774 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)L310 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 1 :MKRINKYISLLLATALLAS 3hdxA 42 :WKTLEDTRSALMGVYGLTR T0532 39 :SLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGR 3hdxA 73 :GDLRKGDFTVYKRSDLQAVSDNELNKPYDLLKKVSNWRRFYAVINA T0532 90 :YTTLINAQKMVE 3hdxA 119 :ASVFMEKAPRTV T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3hdxA 135 :SYSEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYG T0532 177 :FDGDPILGGSISKW 3hdxA 218 :SYGAQWQGKLFNKL T0532 193 :ATTAFQLKVLMHLS 3hdxA 232 :SAYSVLAHICAWQG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQ 3hdxA 247 :YAEAETYSAFIIDHASEINAKYTSIA T0532 239 :MKYADKANTVYP 3hdxA 282 :YSNASVKGSRIL T0532 251 :FHNTNTKH 3hdxA 309 :HLEQLTLA T0532 259 :AGYAMLSTMLIDKFKAT 3hdxA 324 :YPEIYISKDSLFSIFTN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPS 3hdxA 343 :DLRFGIIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNMIR T0532 374 :RAHM 3hdxA 427 :NRGL T0532 408 :PA 3hdxA 431 :RE T0532 410 :IQLSGEKEADIEKILTQRYLASFMQ 3hdxA 437 :KDFGNNRESLIAEIFEERRRELMGE T0532 437 :YDVYYDYRRTGYPVLPINPATNR 3hdxA 462 :GWRWYDLVRRQKLMKDNEAFLRL T0532 495 :VDDVNKLMWILQ 3hdxA 485 :ISSGGIYWPVSE Number of specific fragments extracted= 17 number of extra gaps= 0 total=10568 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_861711016.pdb -s /var/tmp/to_scwrl_861711016.seq -o /var/tmp/from_scwrl_861711016.pdb > /var/tmp/scwrl_861711016.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861711016.pdb Number of alignments=775 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)L310 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 92 :TLINAQKMVE 3hdxA 121 :VFMEKAPRTV T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3hdxA 135 :SYSEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYG T0532 177 :FDGDPILGGSISKW 3hdxA 218 :SYGAQWQGKLFNKL T0532 193 :ATTAFQLKVLMHLS 3hdxA 232 :SAYSVLAHICAWQG T0532 212 :ADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3hdxA 246 :NYAEAETYSAFIIDHASEINAKYTSIADLTSETGLFYSNASVKGSRIL T0532 260 :GYAMLSTMLIDKFKAT 3hdxA 325 :PEIYISKDSLFSIFTN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPS 3hdxA 343 :DLRFGIIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHME 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNMIRTNRGL T0532 408 :PAIQ 3hdxA 431 :REVS T0532 412 :LSGEKEADIEKILTQRYLASFMQ 3hdxA 439 :FGNNRESLIAEIFEERRRELMGE T0532 437 :YDVYYDYRRTGYPVLPINPATNR 3hdxA 462 :GWRWYDLVRRQKLMKDNEAFLRL T0532 463 :NDRLPMRWMYPKSESDYN 3hdxA 485 :ISSGGIYWPVSEDIITAN Number of specific fragments extracted= 12 number of extra gaps= 0 total=10580 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_659443953.pdb -s /var/tmp/to_scwrl_659443953.seq -o /var/tmp/from_scwrl_659443953.pdb > /var/tmp/scwrl_659443953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659443953.pdb Number of alignments=776 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)L310 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 90 :YT 3hdxA 113 :YA T0532 92 :TLINAQKMVE 3hdxA 121 :VFMEKAPRTV T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3hdxA 135 :SYSEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYG T0532 177 :FDGDPILGGSISKW 3hdxA 218 :SYGAQWQGKLFNKL T0532 193 :ATTAFQLKVLMHLS 3hdxA 232 :SAYSVLAHICAWQG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQ 3hdxA 247 :YAEAETYSAFIIDHASEINAKYTSIA T0532 239 :MKYADKANTVYP 3hdxA 282 :YSNASVKGSRIL T0532 251 :FHNTNTKH 3hdxA 309 :HLEQLTLA T0532 259 :AGYAMLSTMLIDKFKAT 3hdxA 324 :YPEIYISKDSLFSIFTN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPS 3hdxA 343 :DLRFGIIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNMIR T0532 374 :RAHM 3hdxA 427 :NRGL T0532 408 :PA 3hdxA 431 :RE T0532 410 :IQLSGEKEADIEKILTQRYLASFMQ 3hdxA 437 :KDFGNNRESLIAEIFEERRRELMGE T0532 437 :YDVYYDYRRTGYPVLPINPATNR 3hdxA 462 :GWRWYDLVRRQKLMKDNEAFLRL T0532 463 :NDRLPMRWMYPKSESDYN 3hdxA 485 :ISSGGIYWPVSEDIITAN Number of specific fragments extracted= 16 number of extra gaps= 0 total=10596 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1329709135.pdb -s /var/tmp/to_scwrl_1329709135.seq -o /var/tmp/from_scwrl_1329709135.pdb > /var/tmp/scwrl_1329709135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1329709135.pdb Number of alignments=777 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set T0532 118 :IKAYKIFYMSMEMGDLP 3hdxA 151 :LRAFAYFYMVRIWGDVP Number of specific fragments extracted= 1 number of extra gaps= 0 total=10597 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set T0532 113 :GLAHFIKAYKIFYMSMEMGDLPY 3hdxA 146 :AQVRALRAFAYFYMVRIWGDVPL Number of specific fragments extracted= 1 number of extra gaps= 0 total=10598 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1932151121.pdb -s /var/tmp/to_scwrl_1932151121.seq -o /var/tmp/from_scwrl_1932151121.pdb > /var/tmp/scwrl_1932151121.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1932151121.pdb Number of alignments=778 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDP 3hdxA 356 :SYYVQNLN T0532 314 :QIEKAYATEQYS 3hdxA 364 :EETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10617 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_307478142.pdb -s /var/tmp/to_scwrl_307478142.seq -o /var/tmp/from_scwrl_307478142.pdb > /var/tmp/scwrl_307478142.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_307478142.pdb Number of alignments=779 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 63 :LADNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYA 3hdxA 334 :LFSIFTNFDDLRFGIID T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3hdxA 351 :TIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10635 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1362499750.pdb -s /var/tmp/to_scwrl_1362499750.seq -o /var/tmp/from_scwrl_1362499750.pdb > /var/tmp/scwrl_1362499750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1362499750.pdb Number of alignments=780 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKES 3hdxA 232 :SAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKAK 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYSS T0532 302 :AYIGTD 3hdxA 357 :YYVQNL T0532 313 :EQIEKAYATEQYS 3hdxA 363 :NEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPVL 3hdxA 464 :RWYDLVRRQKLMK T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 477 :DNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10653 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_561129018.pdb -s /var/tmp/to_scwrl_561129018.seq -o /var/tmp/from_scwrl_561129018.pdb > /var/tmp/scwrl_561129018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_561129018.pdb Number of alignments=781 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGS 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSY T0532 187 :ISK 3hdxA 228 :FNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKAK 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYSS T0532 307 :DPSLPFEQIEKAYATEQYS 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPVL 3hdxA 464 :RWYDLVRRQKLMK T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 477 :DNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10671 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1863493696.pdb -s /var/tmp/to_scwrl_1863493696.seq -o /var/tmp/from_scwrl_1863493696.pdb > /var/tmp/scwrl_1863493696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1863493696.pdb Number of alignments=782 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKAK 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYSS T0532 301 :DAYIGTDPSL 3hdxA 357 :YYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDE 3hdxA 424 :IRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASF 3hdxA 439 :FGNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10689 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1392489995.pdb -s /var/tmp/to_scwrl_1392489995.seq -o /var/tmp/from_scwrl_1392489995.pdb > /var/tmp/scwrl_1392489995.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1392489995.pdb Number of alignments=783 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGS 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSY T0532 187 :ISK 3hdxA 228 :FNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSLP 3hdxA 356 :SYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10708 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_317224515.pdb -s /var/tmp/to_scwrl_317224515.seq -o /var/tmp/from_scwrl_317224515.pdb > /var/tmp/scwrl_317224515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317224515.pdb Number of alignments=784 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSLP 3hdxA 356 :SYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10726 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1045022897.pdb -s /var/tmp/to_scwrl_1045022897.seq -o /var/tmp/from_scwrl_1045022897.pdb > /var/tmp/scwrl_1045022897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1045022897.pdb Number of alignments=785 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSL 3hdxA 356 :SYYVQNLNEE T0532 316 :EKAYATEQYS 3hdxA 366 :TPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10744 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_412490971.pdb -s /var/tmp/to_scwrl_412490971.seq -o /var/tmp/from_scwrl_412490971.pdb > /var/tmp/scwrl_412490971.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_412490971.pdb Number of alignments=786 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 87 :FGG 3hdxA 109 :WRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFY 3hdxA 334 :LFSIFTNFDDLRFGI T0532 295 :VTADSWDAYIGTDPSLPF 3hdxA 349 :IDTIKYSSYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10763 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1162488006.pdb -s /var/tmp/to_scwrl_1162488006.seq -o /var/tmp/from_scwrl_1162488006.pdb > /var/tmp/scwrl_1162488006.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162488006.pdb Number of alignments=787 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)N328 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 87 :FGG 3hdxA 109 :WRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLM 3hdxA 263 :EIN T0532 231 :ESNEDNL 3hdxA 269 :TSIADLT T0532 245 :ANTVYPFHNTNTKHAGYAMLSTM 3hdxA 310 :LEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMF 3hdxA 334 :LFSIFTNFDDLRFG T0532 294 :GVTADSWDAYIGTDPSL 3hdxA 348 :IIDTIKYSSYYVQNLNE T0532 317 :KAYATEQYSGF 3hdxA 365 :ETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRT 3hdxA 464 :RWYDLVRR T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 20 number of extra gaps= 0 total=10783 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_116913751.pdb -s /var/tmp/to_scwrl_116913751.seq -o /var/tmp/from_scwrl_116913751.pdb > /var/tmp/scwrl_116913751.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_116913751.pdb Number of alignments=788 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPS 3hdxA 356 :SYYVQNLNE T0532 315 :IEKAYATEQYS 3hdxA 365 :ETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPVL 3hdxA 464 :RWYDLVRRQKLMK T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 477 :DNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10802 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1906312968.pdb -s /var/tmp/to_scwrl_1906312968.seq -o /var/tmp/from_scwrl_1906312968.pdb > /var/tmp/scwrl_1906312968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1906312968.pdb Number of alignments=789 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGS 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSY T0532 187 :ISK 3hdxA 228 :FNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSLP 3hdxA 356 :SYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNT 3hdxA 424 :IRTNRGLREVSF T0532 409 :AIQLSGEKEADIEKILTQRYLASF 3hdxA 436 :KKDFGNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10821 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_490327849.pdb -s /var/tmp/to_scwrl_490327849.seq -o /var/tmp/from_scwrl_490327849.pdb > /var/tmp/scwrl_490327849.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_490327849.pdb Number of alignments=790 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDP 3hdxA 356 :SYYVQNLN T0532 314 :QIEKAYATEQYS 3hdxA 364 :EETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10840 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_641957211.pdb -s /var/tmp/to_scwrl_641957211.seq -o /var/tmp/from_scwrl_641957211.pdb > /var/tmp/scwrl_641957211.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_641957211.pdb Number of alignments=791 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 32 :ATTKVTSSLLATGLLLDIT 3hdxA 42 :WKTLEDTRSALMGVYGLTR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 63 :LADNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYA 3hdxA 334 :LFSIFTNFDDLRFGIID T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3hdxA 351 :TIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10858 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1807229787.pdb -s /var/tmp/to_scwrl_1807229787.seq -o /var/tmp/from_scwrl_1807229787.pdb > /var/tmp/scwrl_1807229787.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1807229787.pdb Number of alignments=792 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKES 3hdxA 232 :SAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKAK 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYSS T0532 302 :AYIGTD 3hdxA 357 :YYVQNL T0532 313 :EQIEKAYATEQYS 3hdxA 363 :NEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPVL 3hdxA 464 :RWYDLVRRQKLMK T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 477 :DNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10876 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_67654600.pdb -s /var/tmp/to_scwrl_67654600.seq -o /var/tmp/from_scwrl_67654600.pdb > /var/tmp/scwrl_67654600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_67654600.pdb Number of alignments=793 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 31 :DATTKVTSSLLATGLLLDIT 3hdxA 41 :QWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGS 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSY T0532 187 :ISK 3hdxA 228 :FNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKAK 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYSS T0532 307 :DPSLPFEQIEKAYATEQYS 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPVL 3hdxA 464 :RWYDLVRRQKLMK T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 477 :DNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10894 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_871395699.pdb -s /var/tmp/to_scwrl_871395699.seq -o /var/tmp/from_scwrl_871395699.pdb > /var/tmp/scwrl_871395699.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_871395699.pdb Number of alignments=794 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 31 :DATTKVTSSLLATGLLLDIT 3hdxA 41 :QWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKAK 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYSS T0532 301 :DAYIGTDPSL 3hdxA 357 :YYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDE 3hdxA 424 :IRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASF 3hdxA 439 :FGNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10912 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1840541970.pdb -s /var/tmp/to_scwrl_1840541970.seq -o /var/tmp/from_scwrl_1840541970.pdb > /var/tmp/scwrl_1840541970.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840541970.pdb Number of alignments=795 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGS 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSY T0532 187 :ISK 3hdxA 228 :FNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSLP 3hdxA 356 :SYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10931 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_624432005.pdb -s /var/tmp/to_scwrl_624432005.seq -o /var/tmp/from_scwrl_624432005.pdb > /var/tmp/scwrl_624432005.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_624432005.pdb Number of alignments=796 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSLP 3hdxA 356 :SYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10949 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1114353308.pdb -s /var/tmp/to_scwrl_1114353308.seq -o /var/tmp/from_scwrl_1114353308.pdb > /var/tmp/scwrl_1114353308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1114353308.pdb Number of alignments=797 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)R490 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 66 :NNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 263 :EINAKYTSIA T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSL 3hdxA 356 :SYYVQNLNEE T0532 316 :EKAYATEQYS 3hdxA 366 :TPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 18 number of extra gaps= 0 total=10967 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_928131974.pdb -s /var/tmp/to_scwrl_928131974.seq -o /var/tmp/from_scwrl_928131974.pdb > /var/tmp/scwrl_928131974.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928131974.pdb Number of alignments=798 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 87 :FGG 3hdxA 109 :WRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFY 3hdxA 334 :LFSIFTNFDDLRFGI T0532 295 :VTADSWDAYIGTDPSLPF 3hdxA 349 :IDTIKYSSYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=10986 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_299416383.pdb -s /var/tmp/to_scwrl_299416383.seq -o /var/tmp/from_scwrl_299416383.pdb > /var/tmp/scwrl_299416383.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_299416383.pdb Number of alignments=799 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)N328 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 87 :FGG 3hdxA 109 :WRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLM 3hdxA 263 :EIN T0532 231 :ESNEDNL 3hdxA 269 :TSIADLT T0532 245 :ANTVYPFHNTNTKHAGYAMLSTM 3hdxA 310 :LEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMF 3hdxA 334 :LFSIFTNFDDLRFG T0532 294 :GVTADSWDAYIGTDPSL 3hdxA 348 :IIDTIKYSSYYVQNLNE T0532 317 :KAYATEQYSGF 3hdxA 365 :ETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRT 3hdxA 464 :RWYDLVRR T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 20 number of extra gaps= 0 total=11006 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_503448515.pdb -s /var/tmp/to_scwrl_503448515.seq -o /var/tmp/from_scwrl_503448515.pdb > /var/tmp/scwrl_503448515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_503448515.pdb Number of alignments=800 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQT T0532 180 :DPILGGSISK 3hdxA 221 :AQWQGKLFNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPS 3hdxA 356 :SYYVQNLNE T0532 315 :IEKAYATEQYS 3hdxA 365 :ETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNTPDEE 3hdxA 424 :IRTNRGLREVSFKKDF T0532 413 :SGEKEADIEKILTQRYLASF 3hdxA 440 :GNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPVL 3hdxA 464 :RWYDLVRRQKLMK T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 477 :DNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=11025 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1697144242.pdb -s /var/tmp/to_scwrl_1697144242.seq -o /var/tmp/from_scwrl_1697144242.pdb > /var/tmp/scwrl_1697144242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1697144242.pdb Number of alignments=801 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D243 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)G326 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDIT 3hdxA 40 :QQWKTLEDTRSALMGVYGLTR T0532 53 :SASKSFIYDELLAKQMAWGESMEDYQY 3hdxA 65 :DNNTHWICGDLRKGDFTVYKRSDLQAV T0532 80 :NVFGRSGFGG 3hdxA 102 :LLKKVSNWRR T0532 90 :YTTLINAQKMVESV 3hdxA 113 :YAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGS 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSY T0532 187 :ISK 3hdxA 228 :FNK T0532 192 :KATTAFQLKVLMHLSKKES 3hdxA 231 :LSAYSVLAHICAWQGNYAE T0532 216 :VKERFARIVASG 3hdxA 250 :AETYSAFIIDHA T0532 228 :SLMESNEDNL 3hdxA 266 :AKYTSIADLT T0532 244 :KANTVYPFHNTNTKHAGYAMLSTM 3hdxA 309 :HLEQLTLAYPLVQKSYPEIYISKD T0532 268 :LIDKFKATGDIRMFYYAKPAKA 3hdxA 334 :LFSIFTNFDDLRFGIIDTIKYS T0532 301 :DAYIGTDPSLP 3hdxA 356 :SYYVQNLNEET T0532 317 :KAYATEQYS 3hdxA 367 :PVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNM T0532 373 :IRAHMEFIASNT 3hdxA 424 :IRTNRGLREVSF T0532 409 :AIQLSGEKEADIEKILTQRYLASF 3hdxA 436 :KKDFGNNRESLIAEIFEERRRELM T0532 434 :QHPY 3hdxA 460 :GEGW T0532 439 :VYYDYRRTGYPV 3hdxA 464 :RWYDLVRRQKLM T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3hdxA 476 :KDNEAFLRLISSGGIYWPVSEDIITANSQIEQNEFW Number of specific fragments extracted= 19 number of extra gaps= 0 total=11044 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_528706319.pdb -s /var/tmp/to_scwrl_528706319.seq -o /var/tmp/from_scwrl_528706319.pdb > /var/tmp/scwrl_528706319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_528706319.pdb Number of alignments=802 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 214 :LKVKERFAR 3hdxA 258 :IDHASEINA T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3hdxA 267 :KYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFY 3hdxA 339 :TNFDDLRFGI T0532 297 :ADSWDAYIGTDPSLPFEQIEKAYATEQ 3hdxA 349 :IDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINP 3hdxA 461 :EGWRWYDLVRRQKLMKDNEA T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQN 3hdxA 481 :FLRLISSGGIYWPVSEDIITANSQIEQ T0532 501 :LMWI 3hdxA 508 :NEFW Number of specific fragments extracted= 16 number of extra gaps= 0 total=11060 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_388541218.pdb -s /var/tmp/to_scwrl_388541218.seq -o /var/tmp/from_scwrl_388541218.pdb > /var/tmp/scwrl_388541218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_388541218.pdb Number of alignments=803 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)M267 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNT 3hdxA 254 :SAFIIDHASEINAKYTSIADLTSETGLFYSNASVKGSRILGFNF T0532 268 :LIDKF 3hdxA 309 :HLEQL T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3hdxA 461 :EGWRWYDLVRRQKLMKDNEAFL T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEA 3hdxA 483 :RLISSGGIYWPVSEDIITANSQIEQNE T0532 503 :WI 3hdxA 510 :FW Number of specific fragments extracted= 14 number of extra gaps= 0 total=11074 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1280922281.pdb -s /var/tmp/to_scwrl_1280922281.seq -o /var/tmp/from_scwrl_1280922281.pdb > /var/tmp/scwrl_1280922281.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1280922281.pdb Number of alignments=804 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3hdxA 259 :DHASEINAKYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINP 3hdxA 461 :EGWRWYDLVRRQKLMKDNEA T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQN 3hdxA 481 :FLRLISSGGIYWPVSEDIITANSQIEQ T0532 501 :LMWI 3hdxA 508 :NEFW Number of specific fragments extracted= 15 number of extra gaps= 0 total=11089 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_519672150.pdb -s /var/tmp/to_scwrl_519672150.seq -o /var/tmp/from_scwrl_519672150.pdb > /var/tmp/scwrl_519672150.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_519672150.pdb Number of alignments=805 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 467 :PMRWMYPKSESDYNL 3hdxA 489 :GIYWPVSEDIITANS T0532 497 :DVNKLMWI 3hdxA 504 :QIEQNEFW Number of specific fragments extracted= 14 number of extra gaps= 0 total=11103 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1250252233.pdb -s /var/tmp/to_scwrl_1250252233.seq -o /var/tmp/from_scwrl_1250252233.pdb > /var/tmp/scwrl_1250252233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1250252233.pdb Number of alignments=806 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNE 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTSIAD T0532 235 :DNLQMKYADKANTVYPFHNTN 3hdxA 277 :ETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAKLNE 3hdxA 339 :TNFDDLRFGIIDTIKYSSYYV T0532 308 :PSLPFEQIEKAYATEQ 3hdxA 360 :QNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTP 3hdxA 420 :YLNMIRTNRGLREVSFK T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3hdxA 437 :KDFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3hdxA 480 :AFLRLISSGGIYWPVSEDIITANSQ T0532 498 :VNKLMWI 3hdxA 505 :IEQNEFW Number of specific fragments extracted= 14 number of extra gaps= 0 total=11117 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1940366235.pdb -s /var/tmp/to_scwrl_1940366235.seq -o /var/tmp/from_scwrl_1940366235.pdb > /var/tmp/scwrl_1940366235.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1940366235.pdb Number of alignments=807 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 469 :RWMYPKSESDYNL 3hdxA 491 :YWPVSEDIITANS T0532 497 :DVNKLMWI 3hdxA 504 :QIEQNEFW Number of specific fragments extracted= 14 number of extra gaps= 0 total=11131 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1849381285.pdb -s /var/tmp/to_scwrl_1849381285.seq -o /var/tmp/from_scwrl_1849381285.pdb > /var/tmp/scwrl_1849381285.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1849381285.pdb Number of alignments=808 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASE T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3hdxA 266 :AKYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 463 :NDRLPMRWMYPKSESDYNL 3hdxA 485 :ISSGGIYWPVSEDIITANS T0532 497 :DVNKLMWI 3hdxA 504 :QIEQNEFW Number of specific fragments extracted= 15 number of extra gaps= 0 total=11146 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1034919708.pdb -s /var/tmp/to_scwrl_1034919708.seq -o /var/tmp/from_scwrl_1034919708.pdb > /var/tmp/scwrl_1034919708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1034919708.pdb Number of alignments=809 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3hdxA 254 :SAFIIDHASEINAKYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYY 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYL T0532 371 :KAIRAHMEFIASNTPD 3hdxA 422 :NMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINP 3hdxA 461 :EGWRWYDLVRRQKLMKDNEA T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3hdxA 481 :FLRLISSGGIYWPVSEDIITANSQ T0532 498 :VNKLMWI 3hdxA 505 :IEQNEFW Number of specific fragments extracted= 15 number of extra gaps= 0 total=11161 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_100360730.pdb -s /var/tmp/to_scwrl_100360730.seq -o /var/tmp/from_scwrl_100360730.pdb > /var/tmp/scwrl_100360730.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_100360730.pdb Number of alignments=810 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 213 :DLKVKERFARIVASGS 3hdxA 250 :AETYSAFIIDHASEIN T0532 231 :ESNEDNLQMKYADKANTVYPF 3hdxA 266 :AKYTSIADLTSETGLFYSNAS T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRM 3hdxA 339 :TNFDDLRF T0532 295 :VTADSWDAYIGTDPSLPFEQIEKAYATEQ 3hdxA 347 :GIIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPDE 3hdxA 420 :YLNMIRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASFM 3hdxA 439 :FGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 468 :MRWMYPKSESDYNL 3hdxA 490 :IYWPVSEDIITANS T0532 497 :DVNKLMWI 3hdxA 504 :QIEQNEFW Number of specific fragments extracted= 16 number of extra gaps= 0 total=11177 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1064397389.pdb -s /var/tmp/to_scwrl_1064397389.seq -o /var/tmp/from_scwrl_1064397389.pdb > /var/tmp/scwrl_1064397389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1064397389.pdb Number of alignments=811 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKK 3hdxA 230 :KLSAYSVLAHICAWQGNY T0532 211 :DADLKVKERFARIVASGSLMESN 3hdxA 248 :AEAETYSAFIIDHASEINAKYTS T0532 234 :EDNLQMKYADKANTVYPFHNTN 3hdxA 276 :SETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMF 3hdxA 339 :TNFDDLRFG T0532 296 :TADSWDAYIGTDPSLPFEQIEKAYATEQ 3hdxA 348 :IIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNMIRTNR T0532 378 :EFIASNTPD 3hdxA 429 :GLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 469 :RWMYPKSESDYNL 3hdxA 491 :YWPVSEDIITANS T0532 497 :DVNKLMWI 3hdxA 504 :QIEQNEFW Number of specific fragments extracted= 15 number of extra gaps= 0 total=11192 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1596048725.pdb -s /var/tmp/to_scwrl_1596048725.seq -o /var/tmp/from_scwrl_1596048725.pdb > /var/tmp/scwrl_1596048725.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1596048725.pdb Number of alignments=812 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 469 :RWMYPKSESDYNL 3hdxA 491 :YWPVSEDIITANS T0532 497 :DVNKLMWI 3hdxA 504 :QIEQNEFW Number of specific fragments extracted= 14 number of extra gaps= 0 total=11206 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1963854427.pdb -s /var/tmp/to_scwrl_1963854427.seq -o /var/tmp/from_scwrl_1963854427.pdb > /var/tmp/scwrl_1963854427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1963854427.pdb Number of alignments=813 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 Warning: unaligning (T0532)L505 because last residue in template chain is (3hdxA)K512 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFY 3hdxA 339 :TNFDDLRFGI T0532 284 :AKPAKAKL 3hdxA 349 :IDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 469 :RWMYPKSESDYNL 3hdxA 491 :YWPVSEDIITANS T0532 497 :DVNKLMWI 3hdxA 504 :QIEQNEFW Number of specific fragments extracted= 15 number of extra gaps= 0 total=11221 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_309403737.pdb -s /var/tmp/to_scwrl_309403737.seq -o /var/tmp/from_scwrl_309403737.pdb > /var/tmp/scwrl_309403737.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309403737.pdb Number of alignments=814 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 41 :QWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 214 :LKVKERFAR 3hdxA 258 :IDHASEINA T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3hdxA 267 :KYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFY 3hdxA 339 :TNFDDLRFGI T0532 297 :ADSWDAYIGTDPSLPFEQIEKAYATEQ 3hdxA 349 :IDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINP 3hdxA 461 :EGWRWYDLVRRQKLMKDNEA T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQN 3hdxA 481 :FLRLISSGGIYWPVSEDIITANSQIEQ Number of specific fragments extracted= 15 number of extra gaps= 0 total=11236 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1913273240.pdb -s /var/tmp/to_scwrl_1913273240.seq -o /var/tmp/from_scwrl_1913273240.pdb > /var/tmp/scwrl_1913273240.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913273240.pdb Number of alignments=815 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)M267 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 42 :WKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNT 3hdxA 254 :SAFIIDHASEINAKYTSIADLTSETGLFYSNASVKGSRILGFNF T0532 268 :LIDKF 3hdxA 309 :HLEQL T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3hdxA 461 :EGWRWYDLVRRQKLMKDNEAFL T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNE 3hdxA 483 :RLISSGGIYWPVSEDIITANSQIEQN Number of specific fragments extracted= 13 number of extra gaps= 0 total=11249 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_861393677.pdb -s /var/tmp/to_scwrl_861393677.seq -o /var/tmp/from_scwrl_861393677.pdb > /var/tmp/scwrl_861393677.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_861393677.pdb Number of alignments=816 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 42 :WKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3hdxA 259 :DHASEINAKYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINPA 3hdxA 461 :EGWRWYDLVRRQKLMKDNEAF T0532 460 :NTMNDRLPMRWMYPKSESDYNLEHQN 3hdxA 482 :LRLISSGGIYWPVSEDIITANSQIEQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=11263 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_721894708.pdb -s /var/tmp/to_scwrl_721894708.seq -o /var/tmp/from_scwrl_721894708.pdb > /var/tmp/scwrl_721894708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_721894708.pdb Number of alignments=817 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 42 :WKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 468 :MRWMYPKSESDYNL 3hdxA 490 :IYWPVSEDIITANS Number of specific fragments extracted= 13 number of extra gaps= 0 total=11276 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_928277600.pdb -s /var/tmp/to_scwrl_928277600.seq -o /var/tmp/from_scwrl_928277600.pdb > /var/tmp/scwrl_928277600.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_928277600.pdb Number of alignments=818 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 42 :WKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNE 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTSIAD T0532 235 :DNLQMKYADKANTVYPFHNTN 3hdxA 277 :ETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAKLNE 3hdxA 339 :TNFDDLRFGIIDTIKYSSYYV T0532 308 :PSLPFEQIEKAYATEQ 3hdxA 360 :QNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTP 3hdxA 420 :YLNMIRTNRGLREVSFK T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3hdxA 437 :KDFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3hdxA 480 :AFLRLISSGGIYWPVSEDIITANS Number of specific fragments extracted= 13 number of extra gaps= 0 total=11289 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_978307429.pdb -s /var/tmp/to_scwrl_978307429.seq -o /var/tmp/from_scwrl_978307429.pdb > /var/tmp/scwrl_978307429.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_978307429.pdb Number of alignments=819 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 41 :QWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK Number of specific fragments extracted= 12 number of extra gaps= 0 total=11301 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_480724029.pdb -s /var/tmp/to_scwrl_480724029.seq -o /var/tmp/from_scwrl_480724029.pdb > /var/tmp/scwrl_480724029.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_480724029.pdb Number of alignments=820 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 41 :QWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASE T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3hdxA 266 :AKYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 465 :RLPMRWMYPKSESDYN 3hdxA 487 :SGGIYWPVSEDIITAN Number of specific fragments extracted= 14 number of extra gaps= 0 total=11315 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1418605448.pdb -s /var/tmp/to_scwrl_1418605448.seq -o /var/tmp/from_scwrl_1418605448.pdb > /var/tmp/scwrl_1418605448.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1418605448.pdb Number of alignments=821 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 41 :QWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKK 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQWQG T0532 193 :ATTAFQLKVLMHLSKKESDA 3hdxA 232 :SAYSVLAHICAWQGNYAEAE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3hdxA 254 :SAFIIDHASEINAKYTSIADLTSETGLFYSNASVKGSRI T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYY 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYL T0532 371 :KAIRAHMEFIASNTPD 3hdxA 422 :NMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVLPINP 3hdxA 461 :EGWRWYDLVRRQKLMKDNEA T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3hdxA 481 :FLRLISSGGIYWPVSEDIITANSQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=11329 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1620264639.pdb -s /var/tmp/to_scwrl_1620264639.seq -o /var/tmp/from_scwrl_1620264639.pdb > /var/tmp/scwrl_1620264639.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1620264639.pdb Number of alignments=822 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKES 3hdxA 230 :KLSAYSVLAHICAWQGNYAE T0532 213 :DLKVKERFARIVASGS 3hdxA 250 :AETYSAFIIDHASEIN T0532 231 :ESNEDNLQMKYADKANTVYPF 3hdxA 266 :AKYTSIADLTSETGLFYSNAS T0532 252 :HNTN 3hdxA 294 :GFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRM 3hdxA 339 :TNFDDLRF T0532 295 :VTADSWDAYIGTDPSLPFEQIEKAYATEQ 3hdxA 347 :GIIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPDE 3hdxA 420 :YLNMIRTNRGLREVSFKKD T0532 412 :LSGEKEADIEKILTQRYLASFM 3hdxA 439 :FGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 468 :MRWMYPKSESDYNL 3hdxA 490 :IYWPVSEDIITANS Number of specific fragments extracted= 15 number of extra gaps= 0 total=11344 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_140470170.pdb -s /var/tmp/to_scwrl_140470170.seq -o /var/tmp/from_scwrl_140470170.pdb > /var/tmp/scwrl_140470170.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_140470170.pdb Number of alignments=823 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3hdxA)T39 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 40 :QQWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKK 3hdxA 230 :KLSAYSVLAHICAWQGNY T0532 211 :DADLKVKERFARIVASGSLMESN 3hdxA 248 :AEAETYSAFIIDHASEINAKYTS T0532 234 :EDNLQMKYADKANTVYPFHNTN 3hdxA 276 :SETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMF 3hdxA 339 :TNFDDLRFG T0532 296 :TADSWDAYIGTDPSLPFEQIEKAYATEQ 3hdxA 348 :IIDTIKYSSYYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVSYLNMIRTNR T0532 378 :EFIASNTPD 3hdxA 429 :GLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK T0532 469 :RWMYPKSESDYN 3hdxA 491 :YWPVSEDIITAN Number of specific fragments extracted= 14 number of extra gaps= 0 total=11358 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1486260049.pdb -s /var/tmp/to_scwrl_1486260049.seq -o /var/tmp/from_scwrl_1486260049.pdb > /var/tmp/scwrl_1486260049.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1486260049.pdb Number of alignments=824 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 41 :QWKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFYYAKPAKAK 3hdxA 339 :TNFDDLRFGIIDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYPVL 3hdxA 461 :EGWRWYDLVRRQKLMK Number of specific fragments extracted= 12 number of extra gaps= 0 total=11370 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_344176691.pdb -s /var/tmp/to_scwrl_344176691.seq -o /var/tmp/from_scwrl_344176691.pdb > /var/tmp/scwrl_344176691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_344176691.pdb Number of alignments=825 # 3hdxA read from all-align.a2m # found chain 3hdxA in template set Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G308 Warning: unaligning (T0532)T266 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G308 Warning: unaligning (T0532)Y324 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3hdxA)G386 Warning: unaligning (T0532)Y334 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3hdxA)G386 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3hdxA 42 :WKTLEDTRSALMGVYGLTRAALADNNTHWICGDLRKG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3hdxA 92 :SDNELNKPYDLLKKVSNWRRFYAVINAASVFMEKA T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3hdxA 137 :SEQNLKYDIAQVRALRAFAYFYMVRIWGDVPLVTYSYDNGTFPSMPRTDAQTVLSYAKAELLTAIEDLPYQYGTQTNLYYGSYGAQW T0532 191 :KKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLME 3hdxA 230 :KLSAYSVLAHICAWQGNYAEAETYSAFIIDHASEINAKYTS T0532 232 :SNEDNLQMKYADKANTVYPFHNTN 3hdxA 274 :LTSETGLFYSNASVKGSRILGFNF T0532 267 :MLIDKF 3hdxA 309 :HLEQLT T0532 273 :KATGDIRMFY 3hdxA 339 :TNFDDLRFGI T0532 284 :AKPAKAKL 3hdxA 349 :IDTIKYSS T0532 305 :GTDPSLPFEQIEKAYATEQ 3hdxA 357 :YYVQNLNEETPVFSKIKII T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3hdxA 387 :VFGSSIVFTRLEDITLLRAEALCALNRSTEAVS T0532 369 :YKKAIRAHMEFIASNTPD 3hdxA 420 :YLNMIRTNRGLREVSFKK T0532 411 :QLSGEKEADIEKILTQRYLASFM 3hdxA 438 :DFGNNRESLIAEIFEERRRELMG T0532 436 :PYDVYYDYRRTGYP 3hdxA 461 :EGWRWYDLVRRQKL Number of specific fragments extracted= 13 number of extra gaps= 0 total=11383 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1981012140.pdb -s /var/tmp/to_scwrl_1981012140.seq -o /var/tmp/from_scwrl_1981012140.pdb > /var/tmp/scwrl_1981012140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1981012140.pdb Number of alignments=826 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3i4gA)E33 T0532 25 :EINTDPDATTKVTSSLLATGL 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 46 :LLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFFKISSGNLTADNAFIK T0532 90 :YTTLINAQKMVESVS 3i4gA 114 :YKRIGYCNRFLVGIQ T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFST 3i4gA 133 :SEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPR T0532 176 :DFDGDPILGGSISKW 3i4gA 202 :FSAIPAGEAGRACKQ T0532 193 :ATTAFQLKVLMHLSK 3i4gA 217 :AALAFLGRTCMLQKD T0532 213 :DLKVKERFARIVASG 3i4gA 232 :WKSGAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNT 3i4gA 272 :YIQYLENYLGTGLPQHALS T0532 257 :KHAGYAMLSTMLIDKFKA 3i4gA 315 :TPFSYDDPRYDPSNLGKD T0532 276 :GDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFN 3i4gA 333 :RDPRLDYTIYYNGAIFMGTEYKMSPDYSAAKKEKLDYTSEASRTGFMMRKYFE T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 389 :PINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 364 :DASAYYKKAIRAHMEFIASNT 3i4gA 423 :ITQGILDETINAVRGRASVNM T0532 407 :TPAIQL 3i4gA 444 :PPVTEV T0532 415 :EKEADIEKILTQRYLASFMQHP 3i4gA 450 :TPAKLREIVRHERRIELAMEGI T0532 439 :VYYDYRRTGYPVLPINPAT 3i4gA 472 :RYWDIMRWGIAHEVLSQKI T0532 458 :NRNTMN 3i4gA 507 :EVDPTG T0532 464 :DRLPMRWMYPKSESDY 3i4gA 525 :NPTDYTWPIPQSEQNI T0532 485 :NEAL 3i4gA 541 :NPNL Number of specific fragments extracted= 19 number of extra gaps= 0 total=11402 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2110692054.pdb -s /var/tmp/to_scwrl_2110692054.seq -o /var/tmp/from_scwrl_2110692054.pdb > /var/tmp/scwrl_2110692054.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2110692054.pdb Number of alignments=827 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3i4gA)E33 T0532 25 :EINTDPDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVE T0532 51 :SSSASKSFIYDELLAKQMAWG 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDR T0532 72 :ESMEDYQYNVFGRSGFG 3i4gA 90 :PFFKISSGNLTADNAFI T0532 89 :GYTTLINAQKMVESVS 3i4gA 113 :SYKRIGYCNRFLVGIQ T0532 105 :D 3i4gA 134 :E T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFST 3i4gA 135 :KKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPR T0532 176 :DFDGDPILGGSISKW 3i4gA 202 :FSAIPAGEAGRACKQ T0532 193 :ATTAFQLKVLMHLSK 3i4gA 217 :AALAFLGRTCMLQKD T0532 213 :DLKVKERFARIVASG 3i4gA 232 :WKSGAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNT 3i4gA 272 :YIQYLENYLGTGLPQHALS T0532 257 :KHAGYAMLSTMLIDKFKA 3i4gA 315 :TPFSYDDPRYDPSNLGKD T0532 276 :GDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKA 3i4gA 333 :RDPRLDYTIYYNGAIFMGTEYKMSPDYSAAKKEKLDYTSEASR T0532 319 :YATEQYSGFN 3i4gA 378 :FMMRKYFEES T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 389 :PINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 364 :DASAYYKKAIRAHMEFIASNT 3i4gA 423 :ITQGILDETINAVRGRASVNM T0532 407 :TPAIQL 3i4gA 444 :PPVTEV T0532 415 :EKEADIEKILTQRYLASFMQHP 3i4gA 450 :TPAKLREIVRHERRIELAMEGI T0532 439 :VYYDYRRTGYPVLPINPAT 3i4gA 472 :RYWDIMRWGIAHEVLSQKI T0532 458 :NRNTMN 3i4gA 507 :EVDPTG T0532 464 :DRLPMRWMYPKSESDYN 3i4gA 525 :NPTDYTWPIPQSEQNIN T0532 481 :L 3i4gA 544 :L Number of specific fragments extracted= 22 number of extra gaps= 0 total=11424 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1458529999.pdb -s /var/tmp/to_scwrl_1458529999.seq -o /var/tmp/from_scwrl_1458529999.pdb > /var/tmp/scwrl_1458529999.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1458529999.pdb Number of alignments=828 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3i4gA)E33 T0532 25 :EINTDPDATTKVTSSLLATGL 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 46 :LLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFFKISSGNLTADNAFIK T0532 90 :YTTLINAQKMVESVS 3i4gA 114 :YKRIGYCNRFLVGIQ T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFST 3i4gA 133 :SEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPR T0532 176 :DFDGDPILGGSISKW 3i4gA 202 :FSAIPAGEAGRACKQ T0532 193 :ATTAFQLKVLMHLSK 3i4gA 217 :AALAFLGRTCMLQKD T0532 213 :DLKVKERFARIVASG 3i4gA 232 :WKSGAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNT 3i4gA 272 :YIQYLENYLGTGLPQHALS T0532 257 :KHAGYAMLSTMLIDKFKA 3i4gA 315 :TPFSYDDPRYDPSNLGKD T0532 276 :GDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFN 3i4gA 333 :RDPRLDYTIYYNGAIFMGTEYKMSPDYSAAKKEKLDYTSEASRTGFMMRKYFE T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 389 :PINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 364 :DASAYYKKAIRAHMEFIASNT 3i4gA 423 :ITQGILDETINAVRGRASVNM T0532 407 :TPAIQL 3i4gA 444 :PPVTEV T0532 415 :EKEADIEKILTQRYLASFMQHP 3i4gA 450 :TPAKLREIVRHERRIELAMEGI T0532 439 :VYYDYRRTGYPVLPINPAT 3i4gA 472 :RYWDIMRWGIAHEVLSQKI T0532 458 :NRNTMN 3i4gA 507 :EVDPTG T0532 464 :DRLPMRWMYPKSESDYN 3i4gA 525 :NPTDYTWPIPQSEQNIN Number of specific fragments extracted= 18 number of extra gaps= 0 total=11442 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_761660467.pdb -s /var/tmp/to_scwrl_761660467.seq -o /var/tmp/from_scwrl_761660467.pdb > /var/tmp/scwrl_761660467.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_761660467.pdb Number of alignments=829 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3i4gA)E33 T0532 25 :EINTDPDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVE T0532 51 :SSSASKSFIYDELLAKQMAWG 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDR T0532 72 :ESMEDYQYNVFGRSGFG 3i4gA 90 :PFFKISSGNLTADNAFI T0532 89 :GYTTLINAQKMVESVS 3i4gA 113 :SYKRIGYCNRFLVGIQ T0532 105 :D 3i4gA 134 :E T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFST 3i4gA 135 :KKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPR T0532 176 :DFDGDPILGGSISKW 3i4gA 202 :FSAIPAGEAGRACKQ T0532 193 :ATTAFQLKVLMHLSK 3i4gA 217 :AALAFLGRTCMLQKD T0532 213 :DLKVKERFARIVASG 3i4gA 232 :WKSGAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNT 3i4gA 272 :YIQYLENYLGTGLPQHALS T0532 257 :KHAGYAMLSTMLIDKFKA 3i4gA 315 :TPFSYDDPRYDPSNLGKD T0532 276 :GDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKA 3i4gA 333 :RDPRLDYTIYYNGAIFMGTEYKMSPDYSAAKKEKLDYTSEASR T0532 319 :YATEQYSGFN 3i4gA 378 :FMMRKYFEES T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 389 :PINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 364 :DASAYYKKAIRAHMEFIASNT 3i4gA 423 :ITQGILDETINAVRGRASVNM T0532 407 :TPAIQL 3i4gA 444 :PPVTEV T0532 415 :EKEADIEKILTQRYLASFMQHP 3i4gA 450 :TPAKLREIVRHERRIELAMEGI T0532 439 :VYYDYRRTGYPVLPINPAT 3i4gA 472 :RYWDIMRWGIAHEVLSQKI T0532 458 :NRNTMN 3i4gA 507 :EVDPTG T0532 464 :DRLPMRWMYPKSESDYN 3i4gA 525 :NPTDYTWPIPQSEQNIN Number of specific fragments extracted= 21 number of extra gaps= 0 total=11463 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_262624790.pdb -s /var/tmp/to_scwrl_262624790.seq -o /var/tmp/from_scwrl_262624790.pdb > /var/tmp/scwrl_262624790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262624790.pdb Number of alignments=830 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set T0532 1 :MKRINKYISLLLATALLASCDKFDEINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3i4gA 36 :WNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMIMMEHLSDNAFDRRGENNPFFKISSGNLTADNAFIKRYWETSYKRIGYC T0532 90 :YTTLINAQKMV 3i4gA 121 :NRFLVGIQNSS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSA T0532 179 :GDPILGGSISKW 3i4gA 205 :IPAGEAGRACKQ T0532 193 :ATTAFQLKVLMHL 3i4gA 217 :AALAFLGRTCMLQ T0532 211 :DADLKVKERFARIVASG 3i4gA 230 :KDWKSGAKAFHDIMELG T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYA 3i4gA 261 :STGTSNKENIFYIQYLENYLGTGLPQHALSAKDGG T0532 263 :MLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3i4gA 320 :DDPRYDPSNLGKDRDPRLDYTIYYNGAIFMGTEYKMSPDYSAAKKEKLDYTSEASRTGFMMRKYFEES T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3i4gA 391 :NDVQSANGLTPVIRYAEVLLGYLECLVEDNQ T0532 362 :SGDASAYYKKA 3i4gA 425 :QGILDETINAV T0532 373 :IRAHME 3i4gA 437 :GRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQ 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAME T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWM 3i4gA 470 :GIRYWDIMRWGIAHEVLSQKIWGAPYPGSTQYATT T0532 476 :ESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3i4gA 505 :TKEVDPTGNYRWYVGKRAFRNPTDYTWPIPQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=11477 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1961978515.pdb -s /var/tmp/to_scwrl_1961978515.seq -o /var/tmp/from_scwrl_1961978515.pdb > /var/tmp/scwrl_1961978515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1961978515.pdb Number of alignments=831 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set T0532 1 :MKRINKYISLLLATALLASCDKFDEINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3i4gA 36 :WNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMIMMEHLSDNAFDRRGENNPFFKISSGNLTADNAFIKRYWETSYKRIGYC T0532 90 :YTTLINAQKMV 3i4gA 121 :NRFLVGIQNSS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSA T0532 179 :GDPILGGSISKW 3i4gA 205 :IPAGEAGRACKQ T0532 193 :ATTAFQLKVLMHL 3i4gA 217 :AALAFLGRTCMLQ T0532 218 :ERFARIVA 3i4gA 252 :ANYQELFY T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNT 3i4gA 260 :PSTGTSNKENIFYIQYLENYLGTGLPQHAL T0532 257 :KHA 3i4gA 315 :TPF T0532 261 :YAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3i4gA 318 :SYDDPRYDPSNLGKDRDPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3i4gA 360 :SAAKKEKLDYTSEASRTGFMMRKYF T0532 326 :GFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3i4gA 386 :ESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQ T0532 362 :SGDASAYYKKA 3i4gA 425 :QGILDETINAV T0532 373 :IRAHME 3i4gA 437 :GRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQ 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAME T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWM 3i4gA 470 :GIRYWDIMRWGIAHEVLSQKIWGAPYPGSTQYATT T0532 476 :ESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3i4gA 505 :TKEVDPTGNYRWYVGKRAFRNPTDYTWPIPQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=11493 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_311321062.pdb -s /var/tmp/to_scwrl_311321062.seq -o /var/tmp/from_scwrl_311321062.pdb > /var/tmp/scwrl_311321062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_311321062.pdb Number of alignments=832 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set T0532 95 :NAQKMV 3i4gA 126 :GIQNSS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSA T0532 179 :GDPILGGSISKW 3i4gA 205 :IPAGEAGRACKQ Number of specific fragments extracted= 3 number of extra gaps= 0 total=11496 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_791331109.pdb -s /var/tmp/to_scwrl_791331109.seq -o /var/tmp/from_scwrl_791331109.pdb > /var/tmp/scwrl_791331109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_791331109.pdb Number of alignments=833 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set T0532 93 :LI 3i4gA 123 :FL T0532 95 :NAQKMV 3i4gA 126 :GIQNSS T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSA T0532 179 :GDPILGGSISKW 3i4gA 205 :IPAGEAGRACKQ T0532 193 :ATTAFQLKVLMHL 3i4gA 217 :AALAFLGRTCMLQ T0532 218 :ERFARIVA 3i4gA 252 :ANYQELFY T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNT 3i4gA 260 :PSTGTSNKENIFYIQYLENYLGTGLPQHAL T0532 257 :KHA 3i4gA 315 :TPF T0532 261 :YAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3i4gA 318 :SYDDPRYDPSNLGKDRDPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3i4gA 360 :SAAKKEKLDYTSEASRTGFMMRKYF T0532 326 :GFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3i4gA 386 :ESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQ T0532 362 :SGDASAYYKKA 3i4gA 425 :QGILDETINAV T0532 373 :IRAHME 3i4gA 437 :GRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQ 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAME T0532 437 :YDVYYDYRRTGYPVLPINPAT 3i4gA 470 :GIRYWDIMRWGIAHEVLSQKI Number of specific fragments extracted= 15 number of extra gaps= 0 total=11511 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_203036086.pdb -s /var/tmp/to_scwrl_203036086.seq -o /var/tmp/from_scwrl_203036086.pdb > /var/tmp/scwrl_203036086.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_203036086.pdb Number of alignments=834 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set T0532 115 :AHFIKAYKIFYMSMEMGDLPYEE 3i4gA 143 :ARFLRATQYFYLASYFKNVPLVE Number of specific fragments extracted= 1 number of extra gaps= 0 total=11512 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1592243344.pdb -s /var/tmp/to_scwrl_1592243344.seq -o /var/tmp/from_scwrl_1592243344.pdb > /var/tmp/scwrl_1592243344.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592243344.pdb Number of alignments=835 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set T0532 115 :AHFIKAYKIFYMSMEMGDLPYEE 3i4gA 143 :ARFLRATQYFYLASYFKNVPLVE T0532 138 :ALQGELG 3i4gA 167 :VLTGEEA T0532 146 :VRPKYNTQKEVMNFILSDLETA 3i4gA 174 :NNVTKTSQADILKWCVTEFTAA Number of specific fragments extracted= 3 number of extra gaps= 0 total=11515 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1311003258.pdb -s /var/tmp/to_scwrl_1311003258.seq -o /var/tmp/from_scwrl_1311003258.pdb > /var/tmp/scwrl_1311003258.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1311003258.pdb Number of alignments=836 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 307 :DPSLPFEQ 3i4gA 364 :KEKLDYTS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEPV 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANGL T0532 341 :VRLGYAEQNFILAEAAVRGW 3i4gA 401 :PVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11536 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1453288320.pdb -s /var/tmp/to_scwrl_1453288320.seq -o /var/tmp/from_scwrl_1453288320.pdb > /var/tmp/scwrl_1453288320.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1453288320.pdb Number of alignments=837 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQ 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSPDYSAAKKEKLDYTS T0532 315 :IEKAYATEQYSGFNAR 3i4gA 374 :SRTGFMMRKYFEESTP T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3i4gA 391 :NDVQSANGLTPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 20 number of extra gaps= 0 total=11556 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1385125932.pdb -s /var/tmp/to_scwrl_1385125932.seq -o /var/tmp/from_scwrl_1385125932.pdb > /var/tmp/scwrl_1385125932.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385125932.pdb Number of alignments=838 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 303 :YIGTDPSLPFEQ 3i4gA 360 :SAAKKEKLDYTS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11577 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1012900898.pdb -s /var/tmp/to_scwrl_1012900898.seq -o /var/tmp/from_scwrl_1012900898.pdb > /var/tmp/scwrl_1012900898.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1012900898.pdb Number of alignments=839 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESY T0532 274 :ATG 3i4gA 310 :EFK T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSLPF 3i4gA 362 :AKKEKLDYTSEA T0532 315 :IEKAYATEQYSGFNAR 3i4gA 374 :SRTGFMMRKYFEESTP T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3i4gA 391 :NDVQSANGLTPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 22 number of extra gaps= 0 total=11599 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_340724381.pdb -s /var/tmp/to_scwrl_340724381.seq -o /var/tmp/from_scwrl_340724381.pdb > /var/tmp/scwrl_340724381.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_340724381.pdb Number of alignments=840 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 302 :AYIGTDPSLPFEQ 3i4gA 363 :KKEKLDYTSEASR T0532 317 :KAYATEQYSGFNARYT 3i4gA 376 :TGFMMRKYFEESTPIN T0532 334 :YPSGEP 3i4gA 392 :DVQSAN T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 22 number of extra gaps= 0 total=11621 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1485486662.pdb -s /var/tmp/to_scwrl_1485486662.seq -o /var/tmp/from_scwrl_1485486662.pdb > /var/tmp/scwrl_1485486662.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1485486662.pdb Number of alignments=841 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEP 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 20 number of extra gaps= 0 total=11641 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2077298286.pdb -s /var/tmp/to_scwrl_2077298286.seq -o /var/tmp/from_scwrl_2077298286.pdb > /var/tmp/scwrl_2077298286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2077298286.pdb Number of alignments=842 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSL 3i4gA 364 :KEKLDYTSEA T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11662 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1936773107.pdb -s /var/tmp/to_scwrl_1936773107.seq -o /var/tmp/from_scwrl_1936773107.pdb > /var/tmp/scwrl_1936773107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936773107.pdb Number of alignments=843 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 305 :GTDPSLPFEQ 3i4gA 362 :AKKEKLDYTS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEPV 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANGL T0532 341 :VRLGYAEQNFILAEAAVRGW 3i4gA 401 :PVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11683 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1301857442.pdb -s /var/tmp/to_scwrl_1301857442.seq -o /var/tmp/from_scwrl_1301857442.pdb > /var/tmp/scwrl_1301857442.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301857442.pdb Number of alignments=844 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSLPF 3i4gA 364 :KEKLDYTSEASR T0532 317 :KAYATEQYSGFNARYTDYPSGEP 3i4gA 376 :TGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAY 3i4gA 423 :ITQGILDE T0532 369 :YKK 3i4gA 432 :INA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 22 number of extra gaps= 0 total=11705 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_239218377.pdb -s /var/tmp/to_scwrl_239218377.seq -o /var/tmp/from_scwrl_239218377.pdb > /var/tmp/scwrl_239218377.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_239218377.pdb Number of alignments=845 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLL 3i4gA 34 :TFWNSESNAELALTSLYR T0532 48 :DIT 3i4gA 53 :SLT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSL 3i4gA 364 :KEKLDYTSEA T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAH 3i4gA 435 :VRGR T0532 377 :MEFIASN 3i4gA 441 :VNMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGY 3i4gA 472 :RYWDIMRWGI T0532 449 :PVLP 3i4gA 486 :LSQK T0532 454 :NPATNRNTMN 3i4gA 514 :YRWYVGKRAF T0532 464 :DRLPMRWMYPKSESDYNLEH 3i4gA 525 :NPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 24 number of extra gaps= 0 total=11729 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1702562700.pdb -s /var/tmp/to_scwrl_1702562700.seq -o /var/tmp/from_scwrl_1702562700.pdb > /var/tmp/scwrl_1702562700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1702562700.pdb Number of alignments=846 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTD 3i4gA 364 :KEKLDYT T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEP 3i4gA 371 :SEASRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11750 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_15767473.pdb -s /var/tmp/to_scwrl_15767473.seq -o /var/tmp/from_scwrl_15767473.pdb > /var/tmp/scwrl_15767473.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_15767473.pdb Number of alignments=847 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEP 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 20 number of extra gaps= 0 total=11770 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_961113085.pdb -s /var/tmp/to_scwrl_961113085.seq -o /var/tmp/from_scwrl_961113085.pdb > /var/tmp/scwrl_961113085.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_961113085.pdb Number of alignments=848 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 307 :DPSLPFEQ 3i4gA 364 :KEKLDYTS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEPV 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANGL T0532 341 :VRLGYAEQNFILAEAAVRGW 3i4gA 401 :PVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11791 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_483356654.pdb -s /var/tmp/to_scwrl_483356654.seq -o /var/tmp/from_scwrl_483356654.pdb > /var/tmp/scwrl_483356654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_483356654.pdb Number of alignments=849 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQ 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSPDYSAAKKEKLDYTS T0532 315 :IEKAYATEQYSGFNAR 3i4gA 374 :SRTGFMMRKYFEESTP T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3i4gA 391 :NDVQSANGLTPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 20 number of extra gaps= 0 total=11811 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_994074902.pdb -s /var/tmp/to_scwrl_994074902.seq -o /var/tmp/from_scwrl_994074902.pdb > /var/tmp/scwrl_994074902.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994074902.pdb Number of alignments=850 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 303 :YIGTDPSLPFEQ 3i4gA 360 :SAAKKEKLDYTS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11832 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1441837114.pdb -s /var/tmp/to_scwrl_1441837114.seq -o /var/tmp/from_scwrl_1441837114.pdb > /var/tmp/scwrl_1441837114.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441837114.pdb Number of alignments=851 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESY T0532 274 :ATG 3i4gA 310 :EFK T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSLPF 3i4gA 362 :AKKEKLDYTSEA T0532 315 :IEKAYATEQYSGFNAR 3i4gA 374 :SRTGFMMRKYFEESTP T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3i4gA 391 :NDVQSANGLTPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 22 number of extra gaps= 0 total=11854 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1901962102.pdb -s /var/tmp/to_scwrl_1901962102.seq -o /var/tmp/from_scwrl_1901962102.pdb > /var/tmp/scwrl_1901962102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1901962102.pdb Number of alignments=852 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 302 :AYIGTDPSLPFEQ 3i4gA 363 :KKEKLDYTSEASR T0532 317 :KAYATEQYSGFNARYT 3i4gA 376 :TGFMMRKYFEESTPIN T0532 334 :YPSGEP 3i4gA 392 :DVQSAN T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 22 number of extra gaps= 0 total=11876 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_466855894.pdb -s /var/tmp/to_scwrl_466855894.seq -o /var/tmp/from_scwrl_466855894.pdb > /var/tmp/scwrl_466855894.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_466855894.pdb Number of alignments=853 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEP 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 20 number of extra gaps= 0 total=11896 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1582307284.pdb -s /var/tmp/to_scwrl_1582307284.seq -o /var/tmp/from_scwrl_1582307284.pdb > /var/tmp/scwrl_1582307284.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1582307284.pdb Number of alignments=854 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSL 3i4gA 364 :KEKLDYTSEA T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11917 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1240738504.pdb -s /var/tmp/to_scwrl_1240738504.seq -o /var/tmp/from_scwrl_1240738504.pdb > /var/tmp/scwrl_1240738504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1240738504.pdb Number of alignments=855 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 305 :GTDPSLPFEQ 3i4gA 362 :AKKEKLDYTS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEPV 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANGL T0532 341 :VRLGYAEQNFILAEAAVRGW 3i4gA 401 :PVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=11938 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_811032585.pdb -s /var/tmp/to_scwrl_811032585.seq -o /var/tmp/from_scwrl_811032585.pdb > /var/tmp/scwrl_811032585.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_811032585.pdb Number of alignments=856 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSLPF 3i4gA 364 :KEKLDYTSEASR T0532 317 :KAYATEQYSGFNARYTDYPSGEP 3i4gA 376 :TGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAY 3i4gA 423 :ITQGILDE T0532 369 :YKK 3i4gA 432 :INA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 22 number of extra gaps= 0 total=11960 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1415835777.pdb -s /var/tmp/to_scwrl_1415835777.seq -o /var/tmp/from_scwrl_1415835777.pdb > /var/tmp/scwrl_1415835777.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1415835777.pdb Number of alignments=857 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLL 3i4gA 34 :TFWNSESNAELALTSLYR T0532 48 :DIT 3i4gA 53 :SLT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTDPSL 3i4gA 364 :KEKLDYTSEA T0532 315 :IEKAYATEQYSGFNARYTDYPSGEP 3i4gA 374 :SRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAH 3i4gA 435 :VRGR T0532 377 :MEFIASN 3i4gA 441 :VNMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGY 3i4gA 472 :RYWDIMRWGI T0532 449 :PVLP 3i4gA 486 :LSQK T0532 454 :NPATNRNTMN 3i4gA 514 :YRWYVGKRAF T0532 464 :DRLPMRWMYPKSESDYNLEH 3i4gA 525 :NPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 24 number of extra gaps= 0 total=11984 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1203946912.pdb -s /var/tmp/to_scwrl_1203946912.seq -o /var/tmp/from_scwrl_1203946912.pdb > /var/tmp/scwrl_1203946912.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1203946912.pdb Number of alignments=858 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 301 :DAYIGTD 3i4gA 364 :KEKLDYT T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEP 3i4gA 371 :SEASRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 21 number of extra gaps= 0 total=12005 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_122078937.pdb -s /var/tmp/to_scwrl_122078937.seq -o /var/tmp/from_scwrl_122078937.pdb > /var/tmp/scwrl_122078937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_122078937.pdb Number of alignments=859 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDIT 3i4gA 34 :TFWNSESNAELALTSLYRGSL T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3i4gA 64 :DWWSYHGMIMMEHLSDNAFDRRGENNPFF T0532 80 :NVFGRSGFGG 3i4gA 103 :NAFIKRYWET T0532 90 :YTTLINAQKMVESV 3i4gA 114 :YKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDP 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPAGE T0532 184 :GGSISK 3i4gA 210 :AGRACK T0532 192 :KATTAFQLKVLMHLSKKES 3i4gA 216 :QAALAFLGRTCMLQKDWKS T0532 216 :VKERFARIVASG 3i4gA 235 :GAKAFHDIMELG T0532 228 :SLMESNEDNL 3i4gA 249 :AINANYQELF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3i4gA 275 :YLENYLGTGLPQHALSAKDGGWSLVNPAADLYESYEFKD T0532 277 :DIRMFYYAKPAKAKLNEGVTADSW 3i4gA 334 :DPRLDYTIYYNGAIFMGTEYKMSP T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEP 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANG T0532 340 :VVRLGYAEQNFILAEAAVRGW 3i4gA 400 :TPVIRYAEVLLGYLECLVEDN T0532 361 :ISGDASAYYKK 3i4gA 424 :TQGILDETINA T0532 373 :IRAHM 3i4gA 435 :VRGRA T0532 378 :EFIASN 3i4gA 442 :NMPPVT T0532 413 :SGEKEADIEKILTQRYLASF 3i4gA 448 :EVTPAKLREIVRHERRIELA T0532 434 :QHPY 3i4gA 468 :MEGI T0532 439 :VYYDYRRTGYPVLP 3i4gA 472 :RYWDIMRWGIAHEV T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 514 :YRWYVGKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 20 number of extra gaps= 0 total=12025 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_30012597.pdb -s /var/tmp/to_scwrl_30012597.seq -o /var/tmp/from_scwrl_30012597.pdb > /var/tmp/scwrl_30012597.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_30012597.pdb Number of alignments=860 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12036 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1466571702.pdb -s /var/tmp/to_scwrl_1466571702.seq -o /var/tmp/from_scwrl_1466571702.pdb > /var/tmp/scwrl_1466571702.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1466571702.pdb Number of alignments=861 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 236 :AKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEF 3i4gA 425 :QGILDETINAVRGRASV T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3i4gA 442 :NMPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3i4gA 469 :EGIRYWDIMRWGIAHEVLSQKI T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12047 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2084057452.pdb -s /var/tmp/to_scwrl_2084057452.seq -o /var/tmp/from_scwrl_2084057452.pdb > /var/tmp/scwrl_2084057452.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2084057452.pdb Number of alignments=862 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 236 :AKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12058 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_341333659.pdb -s /var/tmp/to_scwrl_341333659.seq -o /var/tmp/from_scwrl_341333659.pdb > /var/tmp/scwrl_341333659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_341333659.pdb Number of alignments=863 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12069 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_110419165.pdb -s /var/tmp/to_scwrl_110419165.seq -o /var/tmp/from_scwrl_110419165.pdb > /var/tmp/scwrl_110419165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_110419165.pdb Number of alignments=864 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 217 :KERFAR 3i4gA 236 :AKAFHD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLS 3i4gA 242 :IMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTG T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDY 3i4gA 363 :KKEKLDYTSEASRTGFMMRKYFEESTPINDVQS T0532 336 :SGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 396 :ANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEF 3i4gA 425 :QGILDETINAVRGRASV T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3i4gA 442 :NMPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 13 number of extra gaps= 0 total=12082 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_139609892.pdb -s /var/tmp/to_scwrl_139609892.seq -o /var/tmp/from_scwrl_139609892.pdb > /var/tmp/scwrl_139609892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_139609892.pdb Number of alignments=865 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12093 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1933577003.pdb -s /var/tmp/to_scwrl_1933577003.seq -o /var/tmp/from_scwrl_1933577003.pdb > /var/tmp/scwrl_1933577003.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933577003.pdb Number of alignments=866 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12104 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1421422423.pdb -s /var/tmp/to_scwrl_1421422423.seq -o /var/tmp/from_scwrl_1421422423.pdb > /var/tmp/scwrl_1421422423.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1421422423.pdb Number of alignments=867 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 236 :AKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 364 :KEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12115 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1592898212.pdb -s /var/tmp/to_scwrl_1592898212.seq -o /var/tmp/from_scwrl_1592898212.pdb > /var/tmp/scwrl_1592898212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592898212.pdb Number of alignments=868 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFS 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLP T0532 173 :TA 3i4gA 203 :SA T0532 177 :FDG 3i4gA 205 :IPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 13 number of extra gaps= 0 total=12128 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1171219288.pdb -s /var/tmp/to_scwrl_1171219288.seq -o /var/tmp/from_scwrl_1171219288.pdb > /var/tmp/scwrl_1171219288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171219288.pdb Number of alignments=869 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)N499 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 70 :WGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 94 :ISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKE 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWK T0532 212 :ADLKVKERFAR 3i4gA 234 :SGAKAFHDIME T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 245 :LGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGE 3i4gA 363 :KKEKLDYTSEASRTGFMMRKYFEESTPINDVQSAN T0532 339 :PVVRLGYAEQNFILAEAAVRGWIS 3i4gA 399 :LTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASA 3i4gA 425 :QGILD T0532 371 :KAIRAHMEFIASNT 3i4gA 430 :ETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 456 :AT 3i4gA 512 :GN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 15 number of extra gaps= 0 total=12143 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_286839674.pdb -s /var/tmp/to_scwrl_286839674.seq -o /var/tmp/from_scwrl_286839674.pdb > /var/tmp/scwrl_286839674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_286839674.pdb Number of alignments=870 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12154 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1933622593.pdb -s /var/tmp/to_scwrl_1933622593.seq -o /var/tmp/from_scwrl_1933622593.pdb > /var/tmp/scwrl_1933622593.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933622593.pdb Number of alignments=871 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12165 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_509222305.pdb -s /var/tmp/to_scwrl_509222305.seq -o /var/tmp/from_scwrl_509222305.pdb > /var/tmp/scwrl_509222305.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_509222305.pdb Number of alignments=872 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12176 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_216654314.pdb -s /var/tmp/to_scwrl_216654314.seq -o /var/tmp/from_scwrl_216654314.pdb > /var/tmp/scwrl_216654314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_216654314.pdb Number of alignments=873 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 236 :AKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEF 3i4gA 425 :QGILDETINAVRGRASV T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3i4gA 442 :NMPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3i4gA 469 :EGIRYWDIMRWGIAHEVLSQKI T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12187 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1722912053.pdb -s /var/tmp/to_scwrl_1722912053.seq -o /var/tmp/from_scwrl_1722912053.pdb > /var/tmp/scwrl_1722912053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1722912053.pdb Number of alignments=874 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 236 :AKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12198 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1811079747.pdb -s /var/tmp/to_scwrl_1811079747.seq -o /var/tmp/from_scwrl_1811079747.pdb > /var/tmp/scwrl_1811079747.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811079747.pdb Number of alignments=875 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12209 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_455872691.pdb -s /var/tmp/to_scwrl_455872691.seq -o /var/tmp/from_scwrl_455872691.pdb > /var/tmp/scwrl_455872691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_455872691.pdb Number of alignments=876 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 Warning: unaligning (T0532)Q484 because last residue in template chain is (3i4gA)R545 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 217 :KERFAR 3i4gA 236 :AKAFHD T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLS 3i4gA 242 :IMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTG T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDY 3i4gA 363 :KKEKLDYTSEASRTGFMMRKYFEESTPINDVQS T0532 336 :SGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 396 :ANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEF 3i4gA 425 :QGILDETINAVRGRASV T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3i4gA 442 :NMPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 13 number of extra gaps= 0 total=12222 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1277991107.pdb -s /var/tmp/to_scwrl_1277991107.seq -o /var/tmp/from_scwrl_1277991107.pdb > /var/tmp/scwrl_1277991107.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1277991107.pdb Number of alignments=877 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12233 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1826847220.pdb -s /var/tmp/to_scwrl_1826847220.seq -o /var/tmp/from_scwrl_1826847220.pdb > /var/tmp/scwrl_1826847220.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826847220.pdb Number of alignments=878 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12244 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1416985775.pdb -s /var/tmp/to_scwrl_1416985775.seq -o /var/tmp/from_scwrl_1416985775.pdb > /var/tmp/scwrl_1416985775.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1416985775.pdb Number of alignments=879 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKSG T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 236 :AKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 364 :KEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12255 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1761347761.pdb -s /var/tmp/to_scwrl_1761347761.seq -o /var/tmp/from_scwrl_1761347761.pdb > /var/tmp/scwrl_1761347761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1761347761.pdb Number of alignments=880 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFS 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLP T0532 173 :TA 3i4gA 203 :SA T0532 177 :FDG 3i4gA 205 :IPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPN Number of specific fragments extracted= 13 number of extra gaps= 0 total=12268 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_673438475.pdb -s /var/tmp/to_scwrl_673438475.seq -o /var/tmp/from_scwrl_673438475.pdb > /var/tmp/scwrl_673438475.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_673438475.pdb Number of alignments=881 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 70 :WGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 94 :ISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKE 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWK T0532 212 :ADLKVKERFAR 3i4gA 234 :SGAKAFHDIME T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 245 :LGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGE 3i4gA 363 :KKEKLDYTSEASRTGFMMRKYFEESTPINDVQSAN T0532 339 :PVVRLGYAEQNFILAEAAVRGWIS 3i4gA 399 :LTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASA 3i4gA 425 :QGILD T0532 371 :KAIRAHMEFIASNT 3i4gA 430 :ETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 456 :AT 3i4gA 512 :GN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINP Number of specific fragments extracted= 15 number of extra gaps= 0 total=12283 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_711339243.pdb -s /var/tmp/to_scwrl_711339243.seq -o /var/tmp/from_scwrl_711339243.pdb > /var/tmp/scwrl_711339243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711339243.pdb Number of alignments=882 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFI 3i4gA 425 :QGILDETINAVRGRASVN T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3i4gA 443 :MPPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPN Number of specific fragments extracted= 11 number of extra gaps= 0 total=12294 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1515826216.pdb -s /var/tmp/to_scwrl_1515826216.seq -o /var/tmp/from_scwrl_1515826216.pdb > /var/tmp/scwrl_1515826216.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1515826216.pdb Number of alignments=883 # 3i4gA read from all-align.a2m # found chain 3i4gA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3i4gA)E33 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3i4gA 34 :TFWNSESNAELALTSLYRGSLTDGVEYNPSDWWSYHGMI T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3i4gA 93 :KISSGNLTADNAFIKRYWETSYKRIGYCNRFLVGI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3i4gA 132 :ESEKKTRMIAEARFLRATQYFYLASYFKNVPLVENVLTGEEANNVTKTSQADILKWCVTEFTAAAADLPRFSAIPA T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3i4gA 208 :GEAGRACKQAALAFLGRTCMLQKDWKS T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3i4gA 235 :GAKAFHDIMELGDNAINANYQELFYPSTGTSNKENIFYIQYLENYLGTGLPQHALS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3i4gA 330 :GKDRDPRLDYTIYYNGAIFMGTEYKMSPD T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3i4gA 362 :AKKEKLDYTSEASRTGFMMRKYFEESTPINDVQSANGLTPVIRYAEVLLGYLECLVEDNQT T0532 363 :GDASAYYKKAIRAHMEFIA 3i4gA 425 :QGILDETINAVRGRASVNM T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3i4gA 444 :PPVTEVTPAKLREIVRHERRIELAM T0532 436 :PYDVYYDYRRTGYPVL 3i4gA 469 :EGIRYWDIMRWGIAHE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3i4gA 519 :GKRAFRNPTDYTWPIPQSEQNINPNL Number of specific fragments extracted= 11 number of extra gaps= 0 total=12305 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1140294368.pdb -s /var/tmp/to_scwrl_1140294368.seq -o /var/tmp/from_scwrl_1140294368.pdb > /var/tmp/scwrl_1140294368.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140294368.pdb Number of alignments=884 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 20 :CDKFDEINTDPDATTKVTSSLLATGLLLDITS 3ihvA 24 :EETRTEVEKKNYMNNAEEAKDVLLGVYRTNTL T0532 52 :SSASKSFIYDELLAKQMAWGESMED 3ihvA 58 :MYGYYLSILFNLGTDISQVEGSGNE T0532 77 :YQYNVFGRSGFGG 3ihvA 88 :PTNSFPTTQSEVQ T0532 90 :YTTLINAQKMV 3ihvA 107 :YTGIYRANDFL T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ihvA 128 :TTTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTST T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 168 :MSNQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMHLS 3ihvA 219 :AALGLLTKVYATWA T0532 207 :KKESD 3ihvA 239 :ESKWE T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNLQMKYADKANTV 3ihvA 259 :GLLKDYEQLWKNTCNGTWDPT T0532 249 :YPFHNTNTKHAGYAMLST 3ihvA 308 :VKTTAIAGVRGSCAANVK T0532 268 :LIDKF 3ihvA 326 :VVHTF T0532 273 :KATGDIRMFYYA 3ihvA 336 :EDVSDIRRDLSI T0532 285 :KPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYS 3ihvA 365 :SDTDESAAEKDADPTKAQKNKQNYTPAKWDIQKYVTTNSFI T0532 332 :TDYPSGEPVVRLGYAEQNFILAEAAVR 3ihvA 406 :NNDKSNVNWYFLRYADVLLLYAEALNE T0532 359 :GWISGDASAYYKKAIRAHMEFIASNTP 3ihvA 435 :HGPDAEAYNAINAVRRRGYGNPSNTSA T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQHP 3ihvA 462 :CDLPQGLDETSFREAVRKERSYELSFEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ihvA 491 :RRQDLIRWGIYYKTVQATAKELGYW T0532 464 :DRLPMRWMYPKSESDYNLE 3ihvA 532 :EGKHELFPIPQRDMDLCIQ T0532 504 :ILQ 3ihvA 551 :FNQ Number of specific fragments extracted= 20 number of extra gaps= 0 total=12325 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_146162880.pdb -s /var/tmp/to_scwrl_146162880.seq -o /var/tmp/from_scwrl_146162880.pdb > /var/tmp/scwrl_146162880.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_146162880.pdb Number of alignments=885 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)W503 because last residue in template chain is (3ihvA)W557 T0532 20 :CDKFDEINTDPDATTKVTSSLLATGLLLDITS 3ihvA 24 :EETRTEVEKKNYMNNAEEAKDVLLGVYRTNTL T0532 52 :SSASKSFIYDELLAKQMAWGESMED 3ihvA 58 :MYGYYLSILFNLGTDISQVEGSGNE T0532 77 :YQYNVFGRSGF 3ihvA 88 :PTNSFPTTQSE T0532 88 :GGYTTLINAQKMV 3ihvA 105 :ALYTGIYRANDFL T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ihvA 128 :TTTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTST T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 168 :MSNQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMHLSKK 3ihvA 219 :AALGLLTKVYATWAGY T0532 209 :ESDAD 3ihvA 239 :ESKWE T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNLQMKYADKANTV 3ihvA 259 :GLLKDYEQLWKNTCNGTWDPT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3ihvA 307 :GVKTTAIAGVRGSCAANVKVVHTF T0532 273 :KATGDIRMFYYAKPA 3ihvA 336 :EDVSDIRRDLSIANY T0532 296 :TAD 3ihvA 376 :ADP T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVR 3ihvA 383 :KNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNE T0532 359 :GWISGDASAYYKKAIRAHMEFIASNTP 3ihvA 435 :HGPDAEAYNAINAVRRRGYGNPSNTSA T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQHP 3ihvA 462 :CDLPQGLDETSFREAVRKERSYELSFEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ihvA 491 :RRQDLIRWGIYYKTVQATAKELGYW T0532 464 :DRLPMRWMYPKSESDYNLE 3ihvA 532 :EGKHELFPIPQRDMDLCIQ T0532 499 :NKLM 3ihvA 553 :QNPK Number of specific fragments extracted= 19 number of extra gaps= 0 total=12344 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_609081075.pdb -s /var/tmp/to_scwrl_609081075.seq -o /var/tmp/from_scwrl_609081075.pdb > /var/tmp/scwrl_609081075.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_609081075.pdb Number of alignments=886 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 20 :CDKFDEINTDPDATTKVTSSLLATGLLLDITS 3ihvA 24 :EETRTEVEKKNYMNNAEEAKDVLLGVYRTNTL T0532 52 :SSASKSFIYDELLAKQMAWGESMED 3ihvA 58 :MYGYYLSILFNLGTDISQVEGSGNE T0532 77 :YQYNVFGRSGFGG 3ihvA 88 :PTNSFPTTQSEVQ T0532 90 :YTTLINAQKMV 3ihvA 107 :YTGIYRANDFL T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ihvA 128 :TTTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTST T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 168 :MSNQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMHLS 3ihvA 219 :AALGLLTKVYATWA T0532 207 :KKESD 3ihvA 239 :ESKWE T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNLQMKYADKANTV 3ihvA 259 :GLLKDYEQLWKNTCNGTWDPT T0532 249 :YPFHNTNTKHAGYAMLST 3ihvA 308 :VKTTAIAGVRGSCAANVK T0532 268 :LIDKF 3ihvA 326 :VVHTF T0532 273 :KATGDIRMFYYA 3ihvA 336 :EDVSDIRRDLSI T0532 285 :KPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYS 3ihvA 365 :SDTDESAAEKDADPTKAQKNKQNYTPAKWDIQKYVTTNSFI T0532 332 :TDYPSGEPVVRLGYAEQNFILAEAAVR 3ihvA 406 :NNDKSNVNWYFLRYADVLLLYAEALNE T0532 359 :GWISGDASAYYKKAIRAHMEFIASNTP 3ihvA 435 :HGPDAEAYNAINAVRRRGYGNPSNTSA T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQHP 3ihvA 462 :CDLPQGLDETSFREAVRKERSYELSFEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ihvA 491 :RRQDLIRWGIYYKTVQATAKELGYW T0532 464 :DRLPMRWMYPKSESDYN 3ihvA 532 :EGKHELFPIPQRDMDLC Number of specific fragments extracted= 19 number of extra gaps= 0 total=12363 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1951326953.pdb -s /var/tmp/to_scwrl_1951326953.seq -o /var/tmp/from_scwrl_1951326953.pdb > /var/tmp/scwrl_1951326953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1951326953.pdb Number of alignments=887 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 20 :CDKFDEINTDPDATTKVTSSLLATGLLLDITS 3ihvA 24 :EETRTEVEKKNYMNNAEEAKDVLLGVYRTNTL T0532 52 :SSASKSFIYDELLAKQMAWGESMED 3ihvA 58 :MYGYYLSILFNLGTDISQVEGSGNE T0532 77 :YQYNVFGRSGF 3ihvA 88 :PTNSFPTTQSE T0532 88 :GGYTTLINAQKMV 3ihvA 105 :ALYTGIYRANDFL T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3ihvA 128 :TTTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTST T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 168 :MSNQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMHLSKK 3ihvA 219 :AALGLLTKVYATWAGY T0532 209 :ESDAD 3ihvA 239 :ESKWE T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNLQMKYADKANTV 3ihvA 259 :GLLKDYEQLWKNTCNGTWDPT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3ihvA 307 :GVKTTAIAGVRGSCAANVKVVHTF T0532 273 :KATGDIRMFYYAKPA 3ihvA 336 :EDVSDIRRDLSIANY T0532 296 :TAD 3ihvA 376 :ADP T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVR 3ihvA 383 :KNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNE T0532 359 :GWISGDASAYYKKAIRAHMEFIASNTP 3ihvA 435 :HGPDAEAYNAINAVRRRGYGNPSNTSA T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQHP 3ihvA 462 :CDLPQGLDETSFREAVRKERSYELSFEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTMN 3ihvA 491 :RRQDLIRWGIYYKTVQATAKELGYW T0532 464 :DRLPMRWMYPKSESDYNLE 3ihvA 532 :EGKHELFPIPQRDMDLCIQ Number of specific fragments extracted= 18 number of extra gaps= 0 total=12381 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1561998657.pdb -s /var/tmp/to_scwrl_1561998657.seq -o /var/tmp/from_scwrl_1561998657.pdb > /var/tmp/scwrl_1561998657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1561998657.pdb Number of alignments=888 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 1 :MKRINKYISLLLATALLAS 3ihvA 36 :MNNAEEAKDVLLGVYRTNT T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMV 3ihvA 55 :LDAMYGYYLSILFNLGTDISQVEGSGNENFRIIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERISNKI T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGL 3ihvA 128 :TTTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQMSNQN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 174 :ATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMH 3ihvA 219 :AALGLLTKVYAT T0532 205 :LSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTV 3ihvA 258 :HGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVSGNSDPVGR T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFK 3ihvA 307 :GVKTTAIAGVRGSCAANVKVVHTFV T0532 274 :ATGDIRMFYYAKPAKAKLNEGVTADSWDAY 3ihvA 351 :QYTDTKKSLWVAGASDTDESAAEKDADPTK T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ihvA 381 :AQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKH T0532 362 :SGDASAYYKKA 3ihvA 438 :DAEAYNAINAV T0532 373 :IRAHMEFIASN 3ihvA 450 :RRGYGNPSNTS T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3ihvA 461 :ACDLPQGLDETSFREAVRKERSYELSFE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDR 3ihvA 489 :GHRRQDLIRWGIYYKTVQATAKELGYWWE T0532 482 :EHQNEALERQFGGVDDVNKLMWILQ 3ihvA 518 :GTGSPNYSVATYTEEGKHELFPIPQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=12395 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1813027987.pdb -s /var/tmp/to_scwrl_1813027987.seq -o /var/tmp/from_scwrl_1813027987.pdb > /var/tmp/scwrl_1813027987.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1813027987.pdb Number of alignments=889 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 1 :MKRINKYISLLLATA 3ihvA 36 :MNNAEEAKDVLLGVY T0532 40 :LLATGLLLDITSSS 3ihvA 64 :SILFNLGTDISQVE T0532 59 :IYDELLAKQMAWGESME 3ihvA 78 :GSGNENFRIIPTNSFPT T0532 78 :QYNVFGRSGFGGYTT 3ihvA 95 :TQSEVQQTWAALYTG T0532 93 :LINAQKMVE 3ihvA 116 :FLERISNKI T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELG 3ihvA 129 :TTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQMSNQ T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 173 :PATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMHLSKKE 3ihvA 219 :AALGLLTKVYATWAGYP T0532 210 :SDADLKVKERFARIVASG 3ihvA 239 :ESKWEAAAKTARILVESG T0532 228 :SLMES 3ihvA 259 :GLLKD T0532 233 :NEDNLQMKYADKANTVYPF 3ihvA 278 :PTESLIEISFYSPTVSGNS T0532 252 :HNTNTKHAGYAMLSTMLIDKFK 3ihvA 310 :TTAIAGVRGSCAANVKVVHTFV T0532 274 :ATGDIRMFYYAKPAKA 3ihvA 351 :QYTDTKKSLWVAGASD T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ihvA 381 :AQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKH T0532 362 :SGDASAYYKKA 3ihvA 438 :DAEAYNAINAV T0532 373 :IRAHMEFIASN 3ihvA 450 :RRGYGNPSNTS T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3ihvA 461 :ACDLPQGLDETSFREAVRKERSYELSFE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDR 3ihvA 489 :GHRRQDLIRWGIYYKTVQATAKELGYWWE T0532 486 :EALERQFGGVDDVNKLMWILQ 3ihvA 522 :PNYSVATYTEEGKHELFPIPQ Number of specific fragments extracted= 19 number of extra gaps= 0 total=12414 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2073405891.pdb -s /var/tmp/to_scwrl_2073405891.seq -o /var/tmp/from_scwrl_2073405891.pdb > /var/tmp/scwrl_2073405891.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2073405891.pdb Number of alignments=890 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 92 :TLINAQKMVE 3ihvA 115 :DFLERISNKI T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGL 3ihvA 129 :TTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQMSNQN T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 174 :ATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMH 3ihvA 219 :AALGLLTKVYAT T0532 205 :LSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTV 3ihvA 258 :HGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVSGNSDPVGR T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFK 3ihvA 307 :GVKTTAIAGVRGSCAANVKVVHTFV T0532 274 :ATGDIRMFYYAKPAKAKLNEGVTADSWDAY 3ihvA 351 :QYTDTKKSLWVAGASDTDESAAEKDADPTK T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ihvA 381 :AQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKH T0532 362 :SGDASAYYKKA 3ihvA 438 :DAEAYNAINAV T0532 373 :IRAHMEFIASN 3ihvA 450 :RRGYGNPSNTS T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3ihvA 461 :ACDLPQGLDETSFREAVRKERSYELSFE T0532 437 :YDVYYDYRRTGYPVLPINP 3ihvA 489 :GHRRQDLIRWGIYYKTVQA Number of specific fragments extracted= 12 number of extra gaps= 0 total=12426 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1592011254.pdb -s /var/tmp/to_scwrl_1592011254.seq -o /var/tmp/from_scwrl_1592011254.pdb > /var/tmp/scwrl_1592011254.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1592011254.pdb Number of alignments=891 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 93 :LINAQKMVE 3ihvA 116 :FLERISNKI T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELG 3ihvA 129 :TTDKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQMSNQ T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKW 3ihvA 173 :PATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSKG T0532 193 :ATTAFQLKVLMHLSKKE 3ihvA 219 :AALGLLTKVYATWAGYP T0532 210 :SDADLKVKERFARIVASG 3ihvA 239 :ESKWEAAAKTARILVESG T0532 228 :SLMES 3ihvA 259 :GLLKD T0532 233 :NEDNLQMKYADKANTVYPF 3ihvA 278 :PTESLIEISFYSPTVSGNS T0532 252 :HNTNTKHAGYAMLSTMLIDKFK 3ihvA 310 :TTAIAGVRGSCAANVKVVHTFV T0532 274 :ATGDIRMFYYAKPAKA 3ihvA 351 :QYTDTKKSLWVAGASD T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3ihvA 381 :AQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKH T0532 362 :SGDASAYYKKA 3ihvA 438 :DAEAYNAINAV T0532 373 :IRAHMEFIASN 3ihvA 450 :RRGYGNPSNTS T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3ihvA 461 :ACDLPQGLDETSFREAVRKERSYELSFE T0532 437 :YDVYYDYRRTGYPVLPINPATN 3ihvA 489 :GHRRQDLIRWGIYYKTVQATAK Number of specific fragments extracted= 14 number of extra gaps= 0 total=12440 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1132116042.pdb -s /var/tmp/to_scwrl_1132116042.seq -o /var/tmp/from_scwrl_1132116042.pdb > /var/tmp/scwrl_1132116042.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132116042.pdb Number of alignments=892 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 141 :GELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISKWKKATT 3ihvA 256 :GKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVSGNSDPVGRIGKWNGVKT Number of specific fragments extracted= 1 number of extra gaps= 0 total=12441 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2009979696.pdb -s /var/tmp/to_scwrl_2009979696.seq -o /var/tmp/from_scwrl_2009979696.pdb > /var/tmp/scwrl_2009979696.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2009979696.pdb Number of alignments=893 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 175 :KDFDGDPILGGSISKWKKATT 3ihvA 290 :PTVSGNSDPVGRIGKWNGVKT Number of specific fragments extracted= 1 number of extra gaps= 0 total=12442 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1933344914.pdb -s /var/tmp/to_scwrl_1933344914.seq -o /var/tmp/from_scwrl_1933344914.pdb > /var/tmp/scwrl_1933344914.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1933344914.pdb Number of alignments=894 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEIN 3ihvA 24 :EETR T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVN 3ihvA 128 :TTTDKK T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 137 :LYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 383 :KNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 22 number of extra gaps= 0 total=12464 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1242535207.pdb -s /var/tmp/to_scwrl_1242535207.seq -o /var/tmp/from_scwrl_1242535207.pdb > /var/tmp/scwrl_1242535207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1242535207.pdb Number of alignments=895 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 25 :EINT 3ihvA 24 :EETR T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 321 :AANVKVVHTFVLDWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12484 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2105941.pdb -s /var/tmp/to_scwrl_2105941.seq -o /var/tmp/from_scwrl_2105941.pdb > /var/tmp/scwrl_2105941.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2105941.pdb Number of alignments=896 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 25 :EINT 3ihvA 25 :ETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12505 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1719438270.pdb -s /var/tmp/to_scwrl_1719438270.seq -o /var/tmp/from_scwrl_1719438270.pdb > /var/tmp/scwrl_1719438270.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1719438270.pdb Number of alignments=897 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 321 :AANVKVVHTFVLDWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12525 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_516473985.pdb -s /var/tmp/to_scwrl_516473985.seq -o /var/tmp/from_scwrl_516473985.pdb > /var/tmp/scwrl_516473985.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516473985.pdb Number of alignments=898 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12546 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1595004153.pdb -s /var/tmp/to_scwrl_1595004153.seq -o /var/tmp/from_scwrl_1595004153.pdb > /var/tmp/scwrl_1595004153.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595004153.pdb Number of alignments=899 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 386 :QNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12567 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_743173913.pdb -s /var/tmp/to_scwrl_743173913.seq -o /var/tmp/from_scwrl_743173913.pdb > /var/tmp/scwrl_743173913.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743173913.pdb Number of alignments=900 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12588 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_803313659.pdb -s /var/tmp/to_scwrl_803313659.seq -o /var/tmp/from_scwrl_803313659.pdb > /var/tmp/scwrl_803313659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_803313659.pdb Number of alignments=901 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 21 :DKFDEINTDPDATTKVTSSLLATGLLLDIT 3ihvA 25 :ETRTEVEKKNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKF 3ihvA 320 :CAANVKVVHTFVLDW T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12608 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1381143100.pdb -s /var/tmp/to_scwrl_1381143100.seq -o /var/tmp/from_scwrl_1381143100.pdb > /var/tmp/scwrl_1381143100.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381143100.pdb Number of alignments=902 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVN 3ihvA 128 :TTTDKK T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 137 :LYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIG 3ihvA 386 :QNYTP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 391 :AKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHMEFIASNTPDEEVYH 3ihvA 448 :VRRRGYGNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 22 number of extra gaps= 0 total=12630 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1252396217.pdb -s /var/tmp/to_scwrl_1252396217.seq -o /var/tmp/from_scwrl_1252396217.pdb > /var/tmp/scwrl_1252396217.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1252396217.pdb Number of alignments=903 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNA 3ihvA 128 :TTTDKKL T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 138 :YIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKF 3ihvA 320 :CAANVKVVHTFVLDW T0532 273 :KATGDIRMFYYAKP 3ihvA 336 :EDVSDIRRDLSIAN T0532 288 :KA 3ihvA 350 :YQ T0532 291 :LNEGVTADSW 3ihvA 352 :YTDTKKSLWV T0532 301 :DAYIG 3ihvA 386 :QNYTP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 391 :AKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHMEFIA 3ihvA 448 :VRRRGYGNP T0532 384 :TPDEEVYH 3ihvA 457 :SNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASF 3ihvA 465 :PQGLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGY 3ihvA 491 :RRQDLIRWGI T0532 453 :INPATNRNT 3ihvA 516 :WEGTGSPNY T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 530 :TEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 26 number of extra gaps= 0 total=12656 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1019967973.pdb -s /var/tmp/to_scwrl_1019967973.seq -o /var/tmp/from_scwrl_1019967973.pdb > /var/tmp/scwrl_1019967973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1019967973.pdb Number of alignments=904 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 383 :KNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12677 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_956571507.pdb -s /var/tmp/to_scwrl_956571507.seq -o /var/tmp/from_scwrl_956571507.pdb > /var/tmp/scwrl_956571507.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_956571507.pdb Number of alignments=905 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 386 :QNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12698 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_915992318.pdb -s /var/tmp/to_scwrl_915992318.seq -o /var/tmp/from_scwrl_915992318.pdb > /var/tmp/scwrl_915992318.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_915992318.pdb Number of alignments=906 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 25 :EINTDPDATTKVTSSLLATGLLLDIT 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVN 3ihvA 128 :TTTDKK T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 137 :LYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 383 :KNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12719 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1475840663.pdb -s /var/tmp/to_scwrl_1475840663.seq -o /var/tmp/from_scwrl_1475840663.pdb > /var/tmp/scwrl_1475840663.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1475840663.pdb Number of alignments=907 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 25 :EINTDPDATTKVTSSLLATGLLLDIT 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 321 :AANVKVVHTFVLDWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 19 number of extra gaps= 0 total=12738 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_87078967.pdb -s /var/tmp/to_scwrl_87078967.seq -o /var/tmp/from_scwrl_87078967.pdb > /var/tmp/scwrl_87078967.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87078967.pdb Number of alignments=908 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 25 :EINTDPDATTKVTSSLLATGLLLDIT 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12758 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_595355892.pdb -s /var/tmp/to_scwrl_595355892.seq -o /var/tmp/from_scwrl_595355892.pdb > /var/tmp/scwrl_595355892.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_595355892.pdb Number of alignments=909 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 321 :AANVKVVHTFVLDWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 19 number of extra gaps= 0 total=12777 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_745342793.pdb -s /var/tmp/to_scwrl_745342793.seq -o /var/tmp/from_scwrl_745342793.pdb > /var/tmp/scwrl_745342793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_745342793.pdb Number of alignments=910 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12797 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1848426728.pdb -s /var/tmp/to_scwrl_1848426728.seq -o /var/tmp/from_scwrl_1848426728.pdb > /var/tmp/scwrl_1848426728.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1848426728.pdb Number of alignments=911 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 25 :EINT 3ihvA 25 :ETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 386 :QNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 21 number of extra gaps= 0 total=12818 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1268794366.pdb -s /var/tmp/to_scwrl_1268794366.seq -o /var/tmp/from_scwrl_1268794366.pdb > /var/tmp/scwrl_1268794366.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1268794366.pdb Number of alignments=912 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12838 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1456682035.pdb -s /var/tmp/to_scwrl_1456682035.seq -o /var/tmp/from_scwrl_1456682035.pdb > /var/tmp/scwrl_1456682035.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1456682035.pdb Number of alignments=913 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 25 :EINTDPDATTKVTSSLLATGLLLDIT 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKF 3ihvA 320 :CAANVKVVHTFVLDW T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 375 :DADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12858 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1216769298.pdb -s /var/tmp/to_scwrl_1216769298.seq -o /var/tmp/from_scwrl_1216769298.pdb > /var/tmp/scwrl_1216769298.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216769298.pdb Number of alignments=914 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 24 :DEINT 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVN 3ihvA 128 :TTTDKK T0532 110 :AYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 137 :LYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 301 :DAYIG 3ihvA 386 :QNYTP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 391 :AKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHMEFIASNTPDEEVYH 3ihvA 448 :VRRRGYGNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 22 number of extra gaps= 0 total=12880 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_261605089.pdb -s /var/tmp/to_scwrl_261605089.seq -o /var/tmp/from_scwrl_261605089.pdb > /var/tmp/scwrl_261605089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_261605089.pdb Number of alignments=915 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 24 :DEINT 3ihvA 25 :ETRTE T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNA 3ihvA 128 :TTTDKKL T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 138 :YIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLIDKF 3ihvA 320 :CAANVKVVHTFVLDW T0532 273 :KATGDIRMFYYAKP 3ihvA 336 :EDVSDIRRDLSIAN T0532 288 :KA 3ihvA 350 :YQ T0532 291 :LNEGVTADSW 3ihvA 352 :YTDTKKSLWV T0532 301 :DAYIG 3ihvA 386 :QNYTP T0532 317 :KAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 391 :AKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHMEFIA 3ihvA 448 :VRRRGYGNP T0532 384 :TPDEEVYH 3ihvA 457 :SNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASF 3ihvA 465 :PQGLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGY 3ihvA 491 :RRQDLIRWGI T0532 453 :INPATNRNT 3ihvA 516 :WEGTGSPNY T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 530 :TEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 26 number of extra gaps= 0 total=12906 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1602844916.pdb -s /var/tmp/to_scwrl_1602844916.seq -o /var/tmp/from_scwrl_1602844916.pdb > /var/tmp/scwrl_1602844916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1602844916.pdb Number of alignments=916 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKKESDADL 3ihvA 218 :GAALGLLTKVYATWAGYPVKDES T0532 215 :KVKERFARIVASG 3ihvA 244 :AAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 383 :KNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12926 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1825850373.pdb -s /var/tmp/to_scwrl_1825850373.seq -o /var/tmp/from_scwrl_1825850373.pdb > /var/tmp/scwrl_1825850373.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1825850373.pdb Number of alignments=917 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)E489 because last residue in template chain is (3ihvA)W557 T0532 29 :DPDATTKVTSSLLATGLLLDIT 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNT T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3ihvA 57 :AMYGYYLSILFNLGTDISQVEGSGNENFR T0532 80 :NVFGRSGFGG 3ihvA 96 :QSEVQQTWAA T0532 90 :YTTLINAQKMVESV 3ihvA 107 :YTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDGDPILGGSISK 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILPYATDDQYRESNDYRFSK T0532 192 :KATTAFQLKVLMHLSKK 3ihvA 218 :GAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFARIVASG 3ihvA 238 :DESKWEAAAKTARILVESG T0532 228 :SLMESNEDNL 3ihvA 259 :GLLKDYEQLW T0532 238 :QMKYADKANTVYPFHNTNTK 3ihvA 299 :VGRIGKWNGVKTTAIAGVRG T0532 258 :HAGYAMLSTMLI 3ihvA 320 :CAANVKVVHTFV T0532 270 :DKFKATGDIRMFYYAKPAKAKLNEGVTADSW 3ihvA 333 :DWREDVSDIRRDLSIANYQYTDTKKSLWVAG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRG 3ihvA 386 :QNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEW T0532 360 :WISGDASAYYKK 3ihvA 436 :GPDAEAYNAINA T0532 373 :IRAHM 3ihvA 448 :VRRRG T0532 378 :EFIASNTPDEEVY 3ihvA 454 :GNPSNTSACDLPQ T0532 413 :SGEKEADIEKILTQRYLASF 3ihvA 467 :GLDETSFREAVRKERSYELS T0532 434 :QHPY 3ihvA 487 :FEGH T0532 439 :VYYDYRRTGYPVLP 3ihvA 491 :RRQDLIRWGIYYKT T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEAL 3ihvA 521 :SPNYSVATYTEEGKHELFPIPQRDMDLCIQFNQNPK Number of specific fragments extracted= 20 number of extra gaps= 0 total=12946 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_65448395.pdb -s /var/tmp/to_scwrl_65448395.seq -o /var/tmp/from_scwrl_65448395.pdb > /var/tmp/scwrl_65448395.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_65448395.pdb Number of alignments=918 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)H483 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 174 :AKDFD 3ihvA 205 :DQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPT T0532 259 :AG 3ihvA 287 :FY T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 16 number of extra gaps= 0 total=12962 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1017359927.pdb -s /var/tmp/to_scwrl_1017359927.seq -o /var/tmp/from_scwrl_1017359927.pdb > /var/tmp/scwrl_1017359927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1017359927.pdb Number of alignments=919 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)H483 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 173 :TAKDFD 3ihvA 204 :DDQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVSGNSDPVG T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 15 number of extra gaps= 0 total=12977 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1491394713.pdb -s /var/tmp/to_scwrl_1491394713.seq -o /var/tmp/from_scwrl_1491394713.pdb > /var/tmp/scwrl_1491394713.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1491394713.pdb Number of alignments=920 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)H483 because last residue in template chain is (3ihvA)W557 T0532 21 :DKFDEINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 25 :ETRTEVEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTM 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVSGN T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASA 3ihvA 439 :AEAYN T0532 369 :YKKAIRAHMEFIASNTPDEE 3ihvA 444 :AINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 15 number of extra gaps= 0 total=12992 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2138854286.pdb -s /var/tmp/to_scwrl_2138854286.seq -o /var/tmp/from_scwrl_2138854286.pdb > /var/tmp/scwrl_2138854286.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138854286.pdb Number of alignments=921 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)H483 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 209 :ESD 3ihvA 238 :DES T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAML 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTV T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASA 3ihvA 439 :AEAYN T0532 369 :YKKAIRAHMEFIASNTPDEE 3ihvA 444 :AINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 455 :P 3ihvA 523 :N T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 18 number of extra gaps= 0 total=13010 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_461887535.pdb -s /var/tmp/to_scwrl_461887535.seq -o /var/tmp/from_scwrl_461887535.pdb > /var/tmp/scwrl_461887535.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_461887535.pdb Number of alignments=922 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)I504 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEIN 3ihvA 24 :EETRT T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 210 :SD 3ihvA 238 :DE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISF T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 16 number of extra gaps= 0 total=13026 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_476027109.pdb -s /var/tmp/to_scwrl_476027109.seq -o /var/tmp/from_scwrl_476027109.pdb > /var/tmp/scwrl_476027109.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_476027109.pdb Number of alignments=923 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)H483 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 211 :DA 3ihvA 237 :KD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLS 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 16 number of extra gaps= 0 total=13042 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2001350336.pdb -s /var/tmp/to_scwrl_2001350336.seq -o /var/tmp/from_scwrl_2001350336.pdb > /var/tmp/scwrl_2001350336.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2001350336.pdb Number of alignments=924 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)W503 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAML 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTV T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NL 3ihvA 554 :NP T0532 502 :M 3ihvA 556 :K Number of specific fragments extracted= 16 number of extra gaps= 0 total=13058 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_247748802.pdb -s /var/tmp/to_scwrl_247748802.seq -o /var/tmp/from_scwrl_247748802.pdb > /var/tmp/scwrl_247748802.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_247748802.pdb Number of alignments=925 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)H483 because last residue in template chain is (3ihvA)W557 T0532 21 :DKFDEINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 25 :ETRTEVEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFAR 3ihvA 245 :AAKTARILVE T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ihvA 255 :SGKHGLLKDYEQLWKNTCNGTWDPT T0532 253 :NTNT 3ihvA 288 :YSPT T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 16 number of extra gaps= 0 total=13074 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1718562317.pdb -s /var/tmp/to_scwrl_1718562317.seq -o /var/tmp/from_scwrl_1718562317.pdb > /var/tmp/scwrl_1718562317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1718562317.pdb Number of alignments=926 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)W503 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 173 :TAKDFD 3ihvA 204 :DDQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 210 :SDADLKVKERFARIVASGSLMESNEDNLQMKY 3ihvA 238 :DESKWEAAAKTARILVESGKHGLLKDYEQLWK T0532 242 :ADKANTVYPF 3ihvA 273 :NGTWDPTESL T0532 256 :TK 3ihvA 287 :FY T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 462 :MNDRLPMRWMYPKSESDY 3ihvA 530 :TEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 17 number of extra gaps= 0 total=13091 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2003456277.pdb -s /var/tmp/to_scwrl_2003456277.seq -o /var/tmp/from_scwrl_2003456277.pdb > /var/tmp/scwrl_2003456277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2003456277.pdb Number of alignments=927 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)V498 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNA 3ihvA 128 :TTTDKKL T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 138 :YIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 173 :TAKDFD 3ihvA 204 :DDQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFAR 3ihvA 238 :DESKWEAAAKTARI T0532 224 :VASGSLMESNEDN 3ihvA 252 :LVESGKHGLLKDY T0532 266 :TMLIDKF 3ihvA 265 :EQLWKNT T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 273 :NGTWDPTESLIEISFYSPTVSGNSDPVGR T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 385 :KQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSAC T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3ihvA 463 :DLPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 462 :MNDRLPMRWMYPKSESDY 3ihvA 530 :TEEGKHELFPIPQRDMDL T0532 493 :GGVDD 3ihvA 552 :NQNPK Number of specific fragments extracted= 18 number of extra gaps= 0 total=13109 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1967187072.pdb -s /var/tmp/to_scwrl_1967187072.seq -o /var/tmp/from_scwrl_1967187072.pdb > /var/tmp/scwrl_1967187072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1967187072.pdb Number of alignments=928 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)I504 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 212 :A 3ihvA 238 :D T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAM 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPT T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDE 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 480 :NLE 3ihvA 554 :NPK Number of specific fragments extracted= 16 number of extra gaps= 0 total=13125 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_87552655.pdb -s /var/tmp/to_scwrl_87552655.seq -o /var/tmp/from_scwrl_87552655.pdb > /var/tmp/scwrl_87552655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_87552655.pdb Number of alignments=929 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set Warning: unaligning (T0532)K22 because first residue in template chain is (3ihvA)G0 Warning: unaligning (T0532)W503 because last residue in template chain is (3ihvA)W557 T0532 23 :FDEINT 3ihvA 24 :EETRTE T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 174 :A 3ihvA 202 :A T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYA 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSP T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL T0532 497 :DVNKLM 3ihvA 551 :FNQNPK Number of specific fragments extracted= 16 number of extra gaps= 0 total=13141 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1450976784.pdb -s /var/tmp/to_scwrl_1450976784.seq -o /var/tmp/from_scwrl_1450976784.pdb > /var/tmp/scwrl_1450976784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1450976784.pdb Number of alignments=930 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 25 :EINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 174 :AKDFD 3ihvA 205 :DQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPT T0532 259 :AG 3ihvA 287 :FY T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 14 number of extra gaps= 0 total=13155 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_562877338.pdb -s /var/tmp/to_scwrl_562877338.seq -o /var/tmp/from_scwrl_562877338.pdb > /var/tmp/scwrl_562877338.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562877338.pdb Number of alignments=931 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 25 :EINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 173 :TAKDFD 3ihvA 204 :DDQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVSGNSDPVG T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 13 number of extra gaps= 0 total=13168 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_890866314.pdb -s /var/tmp/to_scwrl_890866314.seq -o /var/tmp/from_scwrl_890866314.pdb > /var/tmp/scwrl_890866314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_890866314.pdb Number of alignments=932 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 25 :EINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTM 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVSGN T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASA 3ihvA 439 :AEAYN T0532 369 :YKKAIRAHMEFIASNTPDEE 3ihvA 444 :AINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 14 number of extra gaps= 0 total=13182 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_684636238.pdb -s /var/tmp/to_scwrl_684636238.seq -o /var/tmp/from_scwrl_684636238.pdb > /var/tmp/scwrl_684636238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_684636238.pdb Number of alignments=933 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 30 :VEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 209 :ESD 3ihvA 238 :DES T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAML 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTV T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASA 3ihvA 439 :AEAYN T0532 369 :YKKAIRAHMEFIASNTPDEE 3ihvA 444 :AINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 455 :P 3ihvA 523 :N T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 16 number of extra gaps= 0 total=13198 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1815273555.pdb -s /var/tmp/to_scwrl_1815273555.seq -o /var/tmp/from_scwrl_1815273555.pdb > /var/tmp/scwrl_1815273555.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1815273555.pdb Number of alignments=934 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 30 :VEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 210 :SD 3ihvA 238 :DE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHA 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISF T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 14 number of extra gaps= 0 total=13212 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1910834287.pdb -s /var/tmp/to_scwrl_1910834287.seq -o /var/tmp/from_scwrl_1910834287.pdb > /var/tmp/scwrl_1910834287.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1910834287.pdb Number of alignments=935 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 28 :T 3ihvA 28 :T T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 211 :DA 3ihvA 237 :KD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLS 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTVS T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 15 number of extra gaps= 0 total=13227 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1641207744.pdb -s /var/tmp/to_scwrl_1641207744.seq -o /var/tmp/from_scwrl_1641207744.pdb > /var/tmp/scwrl_1641207744.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1641207744.pdb Number of alignments=936 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 25 :EINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAML 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPTV T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 13 number of extra gaps= 0 total=13240 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_583782227.pdb -s /var/tmp/to_scwrl_583782227.seq -o /var/tmp/from_scwrl_583782227.pdb > /var/tmp/scwrl_583782227.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_583782227.pdb Number of alignments=937 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 25 :EINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 29 :EVEKKNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFAR 3ihvA 245 :AAKTARILVE T0532 227 :GSLMESNEDNLQMKYADKANTVYPF 3ihvA 255 :SGKHGLLKDYEQLWKNTCNGTWDPT T0532 253 :NTNT 3ihvA 288 :YSPT T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3ihvA 488 :EGHRRQDLIRWGIYYKTVQATA T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 15 number of extra gaps= 0 total=13255 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1239191303.pdb -s /var/tmp/to_scwrl_1239191303.seq -o /var/tmp/from_scwrl_1239191303.pdb > /var/tmp/scwrl_1239191303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1239191303.pdb Number of alignments=938 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 25 :EINT 3ihvA 25 :ETRT T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 173 :TAKDFD 3ihvA 204 :DDQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 210 :SDADLKVKERFARIVASGSLMESNEDNLQMKY 3ihvA 238 :DESKWEAAAKTARILVESGKHGLLKDYEQLWK T0532 242 :ADKANTVYPF 3ihvA 273 :NGTWDPTESL T0532 256 :TK 3ihvA 287 :FY T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEE 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 462 :MNDRLPMRWMYPKSESDY 3ihvA 530 :TEEGKHELFPIPQRDMDL Number of specific fragments extracted= 16 number of extra gaps= 0 total=13271 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1728286712.pdb -s /var/tmp/to_scwrl_1728286712.seq -o /var/tmp/from_scwrl_1728286712.pdb > /var/tmp/scwrl_1728286712.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1728286712.pdb Number of alignments=939 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 34 :NYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNA 3ihvA 128 :TTTDKKL T0532 111 :YDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 138 :YIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 173 :TAKDFD 3ihvA 204 :DDQYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 209 :ESDADLKVKERFAR 3ihvA 238 :DESKWEAAAKTARI T0532 224 :VASGSLMESNEDN 3ihvA 252 :LVESGKHGLLKDY T0532 266 :TMLIDKF 3ihvA 265 :EQLWKNT T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 273 :NGTWDPTESLIEISFYSPTVSGNSDPVGR T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 385 :KQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSAC T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3ihvA 463 :DLPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYP 3ihvA 488 :EGHRRQDLIRWGIY T0532 481 :LEHQNEALERQ 3ihvA 502 :YKTVQATAKEL T0532 492 :FGGVDD 3ihvA 516 :WEGTGS Number of specific fragments extracted= 17 number of extra gaps= 0 total=13288 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1179138118.pdb -s /var/tmp/to_scwrl_1179138118.seq -o /var/tmp/from_scwrl_1179138118.pdb > /var/tmp/scwrl_1179138118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1179138118.pdb Number of alignments=940 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 175 :KDFD 3ihvA 206 :QYRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKK 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGY T0532 212 :A 3ihvA 238 :D T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAM 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSPT T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDE 3ihvA 439 :AEAYNAINAVRRRGYGNPSNTSACD T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3ihvA 464 :LPQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESDY 3ihvA 526 :VATYTEEGKHELFPIPQRDMDL Number of specific fragments extracted= 14 number of extra gaps= 0 total=13302 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1984534096.pdb -s /var/tmp/to_scwrl_1984534096.seq -o /var/tmp/from_scwrl_1984534096.pdb > /var/tmp/scwrl_1984534096.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984534096.pdb Number of alignments=941 # 3ihvA read from all-align.a2m # found chain 3ihvA in template set T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3ihvA 33 :KNYMNNAEEAKDVLLGVYRTNTLDAMYGYYLSILFNLGTD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3ihvA 86 :IIPTNSFPTTQSEVQQTWAALYTGIYRANDFLERI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3ihvA 131 :DKKLATLYIAEARALRGMFYFELVRRFGNVVLMTSTQM T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFS 3ihvA 170 :NQNPATYVQSAPEKVYEYIEDDLLYACDILP T0532 174 :A 3ihvA 202 :A T0532 175 :KDF 3ihvA 207 :YRE T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3ihvA 210 :SNDYRFSKGAALGLLTKVYATWAGYPVKD T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYA 3ihvA 241 :KWEAAAKTARILVESGKHGLLKDYEQLWKNTCNGTWDPTESLIEISFYSP T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3ihvA 336 :EDVSDIRRDLSIANYQYTDTKKSLWVAGA T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3ihvA 376 :ADPTKAQKNKQNYTPAKWDIQKYVTTNSFINNDKSNVNWYFLRYADVLLLYAEALNEWKHG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3ihvA 438 :DAEAYNAINAVRRRGYGNPSNTSACDL T0532 411 :QLSGEKEADIEKILTQRYLASFM 3ihvA 465 :PQGLDETSFREAVRKERSYELSF T0532 436 :PYDVYYDYRRTGYPVL 3ihvA 488 :EGHRRQDLIRWGIYYK T0532 458 :NRNTMNDRLPMRWMYPKSESD 3ihvA 526 :VATYTEEGKHELFPIPQRDMD Number of specific fragments extracted= 14 number of extra gaps= 0 total=13316 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1429229793.pdb -s /var/tmp/to_scwrl_1429229793.seq -o /var/tmp/from_scwrl_1429229793.pdb > /var/tmp/scwrl_1429229793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1429229793.pdb Number of alignments=942 3iv0A expands to /projects/compbio/data/pdb/3iv0.pdb.gz 3iv0A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 236, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 238, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 240, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 242, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 244, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 246, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 248, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 250, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 252, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 254, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 256, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 390, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 392, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 394, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 396, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 398, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 400, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 532, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 534, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 536, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 538, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 540, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 542, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 544, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 546, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 548, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 550, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 552, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 741, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 743, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 745, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 749, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 755, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 757, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: OD for alphabet: pdb_atoms Skipped atom 1404, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1406, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1408, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1410, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1412, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1414, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1416, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1432, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1434, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1436, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1438, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1440, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1442, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1456, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1458, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1460, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1462, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1464, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1466, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1486, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1488, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1490, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1492, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1494, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1496, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1604, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1606, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1608, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1610, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1612, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1614, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1616, because occupancy 0.250 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1618, because occupancy 0.340 <= existing 0.660 in 3iv0A Skipped atom 1814, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1816, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1818, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1820, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1822, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1824, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1943, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1945, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1947, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1949, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1951, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1953, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1955, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1957, because occupancy 0.500 <= existing 0.500 in 3iv0A Skipped atom 1967, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1969, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1971, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1973, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1975, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1977, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1979, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1981, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 1983, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1985, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1987, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1989, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1991, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1993, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1995, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1997, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 1999, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 2001, because occupancy 0.300 <= existing 0.700 in 3iv0A Skipped atom 2003, because occupancy 0.300 <= existing 0.700 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2200, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2202, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2204, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2206, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2208, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2210, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2212, because occupancy 0.250 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2214, because occupancy 0.340 <= existing 0.660 in 3iv0A Skipped atom 2316, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2318, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2320, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2322, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2324, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2326, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2328, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2330, because occupancy 0.400 <= existing 0.600 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2347, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2349, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2351, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2353, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2355, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2357, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2359, because occupancy 0.370 <= existing 0.380 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2361, because occupancy 0.500 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2445, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2447, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2449, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2451, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2453, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2455, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2457, because occupancy 0.250 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2459, because occupancy 0.340 <= existing 0.660 in 3iv0A Skipped atom 2487, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2489, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2491, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2493, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2495, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2497, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2499, because occupancy 0.400 <= existing 0.600 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2501, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2503, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2505, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2507, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2509, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2511, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2513, because occupancy 0.250 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2515, because occupancy 0.340 <= existing 0.660 in 3iv0A Skipped atom 2914, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2916, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2918, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 2920, because occupancy 0.400 <= existing 0.600 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3548, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3550, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3552, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3554, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3556, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3558, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3560, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3562, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3564, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3566, because occupancy 0.400 <= existing 0.600 in 3iv0A Skipped atom 3568, because occupancy 0.400 <= existing 0.600 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3596, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3598, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3600, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3602, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3604, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3606, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3608, because occupancy 0.250 <= existing 0.500 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 3610, because occupancy 0.340 <= existing 0.660 in 3iv0A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 3iv0A read from all-align.a2m # adding 3iv0A to template set # found chain 3iv0A in template set Warning: unaligning (T0532)N5 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)Y77 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)Q78 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)Q314 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)I315 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 6 :KY 3iv0A 35 :FW T0532 8 :ISLLLATALLASCDKFDE 3iv0A 39 :GNETNAEAFLLSIYNSFR T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3iv0A 57 :NATMSQRPFLTYSGDMRCAPITAYST T0532 69 :AWGESMED 3iv0A 91 :ANNDMGEL T0532 79 :YNVFGRSGFGGYT 3iv0A 101 :TYPDDARGGLIMQ T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 126 :ILLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKD 3iv0A 204 :GAEVLPWSYS T0532 180 :DPILGG 3iv0A 214 :SYSSKG T0532 186 :SISKW 3iv0A 221 :RASRG T0532 193 :ATTAFQLKVLMHLSK 3iv0A 226 :SVIALMMHINLWLVQ T0532 208 :KESDADL 3iv0A 243 :AQNKEQY T0532 215 :KVKERFARI 3iv0A 252 :NVVSLGEEL T0532 224 :VASG 3iv0A 262 :RNNG T0532 228 :SLMESNEDNL 3iv0A 268 :SLLDINRSSV T0532 238 :QMKYADKANTVYPFHNTNTK 3iv0A 289 :EIAQNINFNEIFMMNAKFSD T0532 258 :HAGYAMLSTMLIDKFKA 3iv0A 319 :MPLFCYSGDYLMTLFPM T0532 275 :TGDIRMFYYA 3iv0A 337 :EDDARKELWF T0532 305 :GTDPSLPFE 3iv0A 347 :DEKIYSTSV T0532 316 :EKAYATEQYSGFNARYTDYPSGE 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSN T0532 339 :PVVRLGYAEQNFILAEAAVR 3iv0A 383 :NQIVFRYAGALLLYAEALAA T0532 359 :GWISGDASAYYKKAIRAHM 3iv0A 404 :GTNDTKACELLNRVRNRAH T0532 407 :TPAIQL 3iv0A 423 :ASEINT T0532 415 :EKEADIEKILTQRYLASFMQHP 3iv0A 429 :SGSELMDAIFWERCRELIGEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTM 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTRT T0532 463 :NDRLPMRWMYPKSESDYNLE 3iv0A 476 :FNVGAWTWPIHRNALKNNTQ T0532 504 :ILQ 3iv0A 496 :IGL Number of specific fragments extracted= 28 number of extra gaps= 2 total=13344 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_300448838.pdb -s /var/tmp/to_scwrl_300448838.seq -o /var/tmp/from_scwrl_300448838.pdb > /var/tmp/scwrl_300448838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_300448838.pdb Number of alignments=943 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)N5 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)A69 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)W70 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)Q314 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)I315 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 6 :KY 3iv0A 35 :FW T0532 8 :ISLLLATALLASCDKFDE 3iv0A 39 :GNETNAEAFLLSIYNSFR T0532 35 :KVTSSLLATGLLLDITSSSASKSFIY 3iv0A 62 :QRPFLTYSGDMRCAPITAYSTGDKYV T0532 61 :DELLAKQM 3iv0A 91 :ANNDMGEL T0532 71 :GESMEDYQ 3iv0A 101 :TYPDDARG T0532 79 :YNVFG 3iv0A 111 :IMQWD T0532 84 :RSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 118 :YTAIQDANILLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKD 3iv0A 204 :GAEVLPWSYS T0532 180 :DPILGG 3iv0A 214 :SYSSKG T0532 186 :SISKW 3iv0A 221 :RASRG T0532 193 :ATTAFQLKVLMHLSKK 3iv0A 226 :SVIALMMHINLWLVQF T0532 209 :ESDADL 3iv0A 244 :QNKEQY T0532 215 :KVKERFARI 3iv0A 252 :NVVSLGEEL T0532 224 :VASG 3iv0A 262 :RNNG T0532 228 :SLMESNEDNL 3iv0A 268 :SLLDINRSSV T0532 238 :QMKYADKANTVYPFHNTNTK 3iv0A 289 :EIAQNINFNEIFMMNAKFSD T0532 258 :HAGYAMLSTMLIDKFKA 3iv0A 319 :MPLFCYSGDYLMTLFPM T0532 275 :TGDIRMFYYA 3iv0A 337 :EDDARKELWF T0532 305 :GTDPSLPFE 3iv0A 347 :DEKIYSTSV T0532 316 :EKAYATEQYSGFNARYTDY 3iv0A 358 :SAPKEIKKFWNIDTYGNGT T0532 335 :PSGEPVVRLGYAEQNFILAEAAVR 3iv0A 379 :SNSGNQIVFRYAGALLLYAEALAA T0532 359 :GWISGDASAYYKKAIRAHM 3iv0A 404 :GTNDTKACELLNRVRNRAH T0532 407 :TPAIQL 3iv0A 423 :ASEINT T0532 415 :EKEADIEKILTQRYLASFMQHP 3iv0A 429 :SGSELMDAIFWERCRELIGEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTM 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTRT T0532 463 :NDRLPMRWMYPKSESDYNLE 3iv0A 476 :FNVGAWTWPIHRNALKNNTQ T0532 488 :LE 3iv0A 496 :IG T0532 499 :NKLMW 3iv0A 498 :LNLFW Number of specific fragments extracted= 30 number of extra gaps= 2 total=13374 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1293732485.pdb -s /var/tmp/to_scwrl_1293732485.seq -o /var/tmp/from_scwrl_1293732485.pdb > /var/tmp/scwrl_1293732485.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1293732485.pdb Number of alignments=944 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)Q314 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)I315 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 126 :ILLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKD 3iv0A 204 :GAEVLPWSYS T0532 180 :DPILGG 3iv0A 214 :SYSSKG T0532 186 :SISKW 3iv0A 221 :RASRG T0532 193 :ATTAFQLKVLMHLSK 3iv0A 226 :SVIALMMHINLWLVQ T0532 208 :KESDADL 3iv0A 243 :AQNKEQY T0532 215 :KVKERFARI 3iv0A 252 :NVVSLGEEL T0532 224 :VASG 3iv0A 262 :RNNG T0532 228 :SLMESNEDNL 3iv0A 268 :SLLDINRSSV T0532 238 :QMKYADKANTVYPFHNTNTK 3iv0A 289 :EIAQNINFNEIFMMNAKFSD T0532 258 :HAGYAMLSTMLIDKFKA 3iv0A 319 :MPLFCYSGDYLMTLFPM T0532 275 :TGDIRMFYYA 3iv0A 337 :EDDARKELWF T0532 305 :GTDPSLPFE 3iv0A 347 :DEKIYSTSV T0532 316 :EKAYATEQYSGFNARYTDYPSGE 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSN T0532 339 :PVVRLGYAEQNFILAEAAVR 3iv0A 383 :NQIVFRYAGALLLYAEALAA T0532 359 :GWISGDASAYYKKAIRAHM 3iv0A 404 :GTNDTKACELLNRVRNRAH T0532 407 :TPAIQL 3iv0A 423 :ASEINT T0532 415 :EKEADIEKILTQRYLASFMQHP 3iv0A 429 :SGSELMDAIFWERCRELIGEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTM 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTRT T0532 463 :NDRLPMRWMYPKSESDYN 3iv0A 476 :FNVGAWTWPIHRNALKNN Number of specific fragments extracted= 22 number of extra gaps= 1 total=13396 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_498515445.pdb -s /var/tmp/to_scwrl_498515445.seq -o /var/tmp/from_scwrl_498515445.pdb > /var/tmp/scwrl_498515445.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_498515445.pdb Number of alignments=945 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)Y77 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)Q78 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)Q314 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)I315 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 43 :TGLLLDITSSSASKSFIYDELLAKQM 3iv0A 57 :NATMSQRPFLTYSGDMRCAPITAYST T0532 69 :AWGESMED 3iv0A 91 :ANNDMGEL T0532 79 :YNVFGRSGFG 3iv0A 101 :TYPDDARGGL T0532 89 :GYTT 3iv0A 117 :FYTA T0532 93 :LINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 127 :LLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKD 3iv0A 204 :GAEVLPWSYS T0532 180 :DPILGG 3iv0A 214 :SYSSKG T0532 186 :SISKW 3iv0A 221 :RASRG T0532 193 :ATTAFQLKVLMHLSKK 3iv0A 226 :SVIALMMHINLWLVQF T0532 209 :ESDADL 3iv0A 244 :QNKEQY T0532 215 :KVKERFARI 3iv0A 252 :NVVSLGEEL T0532 224 :VASG 3iv0A 262 :RNNG T0532 228 :SLMESNEDNL 3iv0A 268 :SLLDINRSSV T0532 238 :QMKYADKANTVYPFHNTNTK 3iv0A 289 :EIAQNINFNEIFMMNAKFSD T0532 258 :HAGYAMLSTMLIDKFKA 3iv0A 319 :MPLFCYSGDYLMTLFPM T0532 275 :TGDIRMFYYA 3iv0A 337 :EDDARKELWF T0532 305 :GTDPSLPFE 3iv0A 347 :DEKIYSTSV T0532 316 :EKAYATEQYSGFNARYTDY 3iv0A 358 :SAPKEIKKFWNIDTYGNGT T0532 335 :PSGEPVVRLGYAEQNFILAEAAVR 3iv0A 379 :SNSGNQIVFRYAGALLLYAEALAA T0532 359 :GWISGDASAYYKKAIRAHM 3iv0A 404 :GTNDTKACELLNRVRNRAH T0532 407 :TPAIQL 3iv0A 423 :ASEINT T0532 415 :EKEADIEKILTQRYLASFMQHP 3iv0A 429 :SGSELMDAIFWERCRELIGEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNTM 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTRT T0532 463 :NDRLPMRWMYPKSESDYNLE 3iv0A 476 :FNVGAWTWPIHRNALKNNTQ Number of specific fragments extracted= 26 number of extra gaps= 2 total=13422 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_562053927.pdb -s /var/tmp/to_scwrl_562053927.seq -o /var/tmp/from_scwrl_562053927.pdb > /var/tmp/scwrl_562053927.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562053927.pdb Number of alignments=946 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)A65 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)K66 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)G144 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)P308 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 3 :RINKYISLLLATALLASCDKFDEINTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELL 3iv0A 37 :AQGNETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRCAPITAYSTGDKYVAYLANNDMGEL T0532 67 :QMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAK 3iv0A 207 :VLPWSY T0532 176 :D 3iv0A 214 :S T0532 177 :FDGDPILGGSISKWKKATTAFQ 3iv0A 237 :WLVQFDAQNKEQYYRNVVSLGE T0532 199 :LKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAM 3iv0A 266 :AYSLLDINRSSVIFAGGSDEGLFEIAQNINFNEIFMMNAKFSDNVSYSCLNKSMPLFCYSGDYLM T0532 269 :IDKFKATGDIRMFYYAKPAKAKLN 3iv0A 331 :TLFPMYEDDARKELWFDEKIYSTS T0532 307 :D 3iv0A 355 :V T0532 310 :LPFEQIEKAYAT 3iv0A 358 :SAPKEIKKFWNI T0532 326 :GFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 370 :DTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFMQ 3iv0A 427 :NTSGSELMDAIFWERCRELIGE T0532 437 :YDVYYDYRRTGYPVLPINPA 3iv0A 449 :GHYYYDLVRTGKVYNRNYCM T0532 488 :LERQFGGVDDVNKLMWILQ 3iv0A 469 :NPMTRTNFNVGAWTWPIHR Number of specific fragments extracted= 15 number of extra gaps= 2 total=13437 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_749093755.pdb -s /var/tmp/to_scwrl_749093755.seq -o /var/tmp/from_scwrl_749093755.pdb > /var/tmp/scwrl_749093755.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_749093755.pdb Number of alignments=947 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)Y60 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)D61 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 1 :M 3iv0A 36 :W T0532 2 :KRINKYISLLLATALLASCDKFDEINTDPDA 3iv0A 39 :GNETNAEAFLLSIYNSFRNATMSQRPFLTYS T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFI 3iv0A 72 :MRCAPITAYSTGDKYVAYLANNDMGEL T0532 62 :ELLAKQMAWGESMEDYQYNVFGR 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQD T0532 90 :YTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 124 :ANILLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAK 3iv0A 204 :GAEVLPWSY T0532 178 :DGDPILGGSISKWKKATTAFQLKVLM 3iv0A 238 :LVQFDAQNKEQYYRNVVSLGEELERN T0532 204 :H 3iv0A 265 :G T0532 220 :FARIVASGS 3iv0A 272 :INRSSVIFA T0532 231 :ESNEDNLQMKYADKANTVYPF 3iv0A 281 :GGSDEGLFEIAQNINFNEIFM T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLN 3iv0A 314 :CLNKSMPLFCYSGDYLMTLFPMYEDDARKELWFDEKIYSTS T0532 321 :T 3iv0A 355 :V T0532 324 :YSGF 3iv0A 358 :SAPK T0532 328 :NARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3iv0A 372 :YGNGTITSNSGNQIVFRYAGALLLYAEALAALGT T0532 362 :SGDASAYYKKA 3iv0A 407 :DTKACELLNRV T0532 373 :IRAHME 3iv0A 419 :NRAHAS T0532 413 :SGEKEADIEKILTQRYLASFMQ 3iv0A 427 :NTSGSELMDAIFWERCRELIGE T0532 437 :YDVYYDYRRTGYPVLPINPA 3iv0A 449 :GHYYYDLVRTGKVYNRNYCM T0532 488 :LERQFGGVDDVNKLMWILQ 3iv0A 469 :NPMTRTNFNVGAWTWPIHR Number of specific fragments extracted= 21 number of extra gaps= 2 total=13458 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_176882171.pdb -s /var/tmp/to_scwrl_176882171.seq -o /var/tmp/from_scwrl_176882171.pdb > /var/tmp/scwrl_176882171.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176882171.pdb Number of alignments=948 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)G144 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)P308 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 126 :ILLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAK 3iv0A 207 :VLPWSY T0532 176 :D 3iv0A 214 :S T0532 177 :FDGDPILGGSISKWKKATTAFQ 3iv0A 237 :WLVQFDAQNKEQYYRNVVSLGE T0532 199 :LKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAM 3iv0A 266 :AYSLLDINRSSVIFAGGSDEGLFEIAQNINFNEIFMMNAKFSDNVSYSCLNKSMPLFCYSGDYLM T0532 269 :IDKFKATGDIRMFYYAKPAKAKLN 3iv0A 331 :TLFPMYEDDARKELWFDEKIYSTS T0532 307 :D 3iv0A 355 :V T0532 310 :LPFEQIEKAYAT 3iv0A 358 :SAPKEIKKFWNI T0532 326 :GFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 370 :DTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFMQ 3iv0A 427 :NTSGSELMDAIFWERCRELIGE T0532 437 :YDVYYDYRRTGYPVLPINPA 3iv0A 449 :GHYYYDLVRTGKVYNRNYCM T0532 457 :TNRNTMNDRLPMRWMYPKSESDYN 3iv0A 470 :PMTRTNFNVGAWTWPIHRNALKNN Number of specific fragments extracted= 14 number of extra gaps= 1 total=13472 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_627502323.pdb -s /var/tmp/to_scwrl_627502323.seq -o /var/tmp/from_scwrl_627502323.pdb > /var/tmp/scwrl_627502323.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_627502323.pdb Number of alignments=949 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 126 :ILLAEIDKVPGMDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAK 3iv0A 204 :GAEVLPWSY T0532 178 :DGDPILGGSISKWKKATTAFQLKVLM 3iv0A 238 :LVQFDAQNKEQYYRNVVSLGEELERN T0532 204 :H 3iv0A 265 :G T0532 220 :FARIVASGS 3iv0A 272 :INRSSVIFA T0532 231 :ESNEDNLQMKYADKANTVYPF 3iv0A 281 :GGSDEGLFEIAQNINFNEIFM T0532 252 :HNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLN 3iv0A 314 :CLNKSMPLFCYSGDYLMTLFPMYEDDARKELWFDEKIYSTS T0532 321 :T 3iv0A 355 :V T0532 324 :YSGF 3iv0A 358 :SAPK T0532 328 :NARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3iv0A 372 :YGNGTITSNSGNQIVFRYAGALLLYAEALAALGT T0532 362 :SGDASAYYKKA 3iv0A 407 :DTKACELLNRV T0532 373 :IRAHME 3iv0A 419 :NRAHAS T0532 413 :SGEKEADIEKILTQRYLASFMQ 3iv0A 427 :NTSGSELMDAIFWERCRELIGE T0532 437 :YDVYYDYRRTGYPVLPINPA 3iv0A 449 :GHYYYDLVRTGKVYNRNYCM Number of specific fragments extracted= 16 number of extra gaps= 1 total=13488 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1766453681.pdb -s /var/tmp/to_scwrl_1766453681.seq -o /var/tmp/from_scwrl_1766453681.pdb > /var/tmp/scwrl_1766453681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1766453681.pdb Number of alignments=950 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)G144 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 T0532 115 :AHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 149 :AIFMRSLSYFFIVRAFGDVPYYTN T0532 145 :LVR 3iv0A 179 :LPR Number of specific fragments extracted= 2 number of extra gaps= 0 total=13490 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1668276884.pdb -s /var/tmp/to_scwrl_1668276884.seq -o /var/tmp/from_scwrl_1668276884.pdb > /var/tmp/scwrl_1668276884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1668276884.pdb Number of alignments=951 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)G144 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 137 :MDELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 145 :LVRPKY 3iv0A 179 :LPRTNM T0532 154 :KEVMN 3iv0A 185 :VIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 173 :TAKDFDGDPILGGSISKWK 3iv0A 198 :LLDDDPGAEVLPWSYSSYS T0532 192 :KATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3iv0A 221 :RASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVS T0532 227 :GSLMESNEDNL 3iv0A 257 :GEELERNNGAY Number of specific fragments extracted= 7 number of extra gaps= 0 total=13497 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_618872962.pdb -s /var/tmp/to_scwrl_618872962.seq -o /var/tmp/from_scwrl_618872962.pdb > /var/tmp/scwrl_618872962.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_618872962.pdb Number of alignments=952 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSS 3iv0A 40 :NETNAEAFLLSIYNSFRNAT T0532 54 :A 3iv0A 62 :Q T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGDKYVA T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLM 3iv0A 268 :SLL T0532 238 :QMKY 3iv0A 301 :MMNA T0532 245 :ANTVYPFHNTNTKHAGYAMLSTM 3iv0A 305 :KFSDNVSYSCLNKSMPLFCYSGD T0532 268 :LIDKFKATG 3iv0A 329 :LMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=13525 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_80857569.pdb -s /var/tmp/to_scwrl_80857569.seq -o /var/tmp/from_scwrl_80857569.pdb > /var/tmp/scwrl_80857569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_80857569.pdb Number of alignments=953 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3iv0A 69 :SGDMRCAPITAYSTGDKYVAYLANNDMGE T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKDFDGDP 3iv0A 204 :GAEVLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3iv0A 299 :IFMMNAKFSDNVSYSCLNKSMPLFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 25 number of extra gaps= 1 total=13550 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2144303994.pdb -s /var/tmp/to_scwrl_2144303994.seq -o /var/tmp/from_scwrl_2144303994.pdb > /var/tmp/scwrl_2144303994.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2144303994.pdb Number of alignments=954 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGDKYVA T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKDFDGDP 3iv0A 204 :GAEVLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 242 :ADKANTVYPFHNTNTK 3iv0A 305 :KFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 26 number of extra gaps= 1 total=13576 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_472739651.pdb -s /var/tmp/to_scwrl_472739651.seq -o /var/tmp/from_scwrl_472739651.pdb > /var/tmp/scwrl_472739651.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_472739651.pdb Number of alignments=955 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFI 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPF T0532 61 :DE 3iv0A 66 :LT T0532 64 :LAKQMAWGESMEDYQY 3iv0A 68 :YSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLM 3iv0A 268 :SLL T0532 240 :KYADKANTVYPFH 3iv0A 303 :NAKFSDNVSYSCL T0532 256 :TKHAG 3iv0A 316 :NKSMP T0532 261 :YAMLSTMLIDKF 3iv0A 322 :FCYSGDYLMTLF T0532 273 :KATGDIRMFYYAK 3iv0A 335 :MYEDDARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 29 number of extra gaps= 1 total=13605 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_328606371.pdb -s /var/tmp/to_scwrl_328606371.seq -o /var/tmp/from_scwrl_328606371.pdb > /var/tmp/scwrl_328606371.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328606371.pdb Number of alignments=956 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKS 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQR T0532 59 :IYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGD T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDG 3iv0A 207 :VLPWSYSSYS T0532 180 :D 3iv0A 218 :K T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 238 :QMKYADKANTVYPFHNTN 3iv0A 301 :MMNAKFSDNVSYSCLNKS T0532 259 :AGYAMLS 3iv0A 319 :MPLFCYS T0532 266 :TMLIDKFKATG 3iv0A 327 :DYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=13633 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1715382664.pdb -s /var/tmp/to_scwrl_1715382664.seq -o /var/tmp/from_scwrl_1715382664.pdb > /var/tmp/scwrl_1715382664.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1715382664.pdb Number of alignments=957 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIY 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFL T0532 63 :LLAKQMAWGESMEDYQY 3iv0A 67 :TYSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLM 3iv0A 268 :SLL T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3iv0A 294 :INFNEIFMMNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 27 number of extra gaps= 1 total=13660 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_328712282.pdb -s /var/tmp/to_scwrl_328712282.seq -o /var/tmp/from_scwrl_328712282.pdb > /var/tmp/scwrl_328712282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_328712282.pdb Number of alignments=958 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIY 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFL T0532 62 :E 3iv0A 67 :T T0532 64 :LAKQMAWGESMEDYQY 3iv0A 68 :YSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 239 :MKYADKANTVYPFHNTNTK 3iv0A 302 :MNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNT 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTR T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 475 :NFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 27 number of extra gaps= 1 total=13687 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_148309797.pdb -s /var/tmp/to_scwrl_148309797.seq -o /var/tmp/from_scwrl_148309797.pdb > /var/tmp/scwrl_148309797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_148309797.pdb Number of alignments=959 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSS 3iv0A 40 :NETNAEAFLLSIYNSFRNAT T0532 54 :A 3iv0A 62 :Q T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGDKYVA T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLM 3iv0A 268 :SLL T0532 231 :ESNEDNLQMKYADKANTVYPFHNTN 3iv0A 294 :INFNEIFMMNAKFSDNVSYSCLNKS T0532 259 :AGYAMLSTM 3iv0A 319 :MPLFCYSGD T0532 268 :LIDKFKATG 3iv0A 329 :LMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=13715 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1802935319.pdb -s /var/tmp/to_scwrl_1802935319.seq -o /var/tmp/from_scwrl_1802935319.pdb > /var/tmp/scwrl_1802935319.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1802935319.pdb Number of alignments=960 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3iv0A 58 :ATMSQRPFLTYSGDMRCAPITAYSTGDKY T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLMESNEDNL 3iv0A 268 :SLLDINRSSV T0532 241 :YADKANTVYPFH 3iv0A 293 :NINFNEIFMMNA T0532 253 :NTNTKHAGYAMLSTMLI 3iv0A 313 :SCLNKSMPLFCYSGDYL T0532 270 :DKFKATG 3iv0A 331 :TLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=13743 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1779689066.pdb -s /var/tmp/to_scwrl_1779689066.seq -o /var/tmp/from_scwrl_1779689066.pdb > /var/tmp/scwrl_1779689066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1779689066.pdb Number of alignments=961 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3iv0A 58 :ATMSQRPFLTYSGDMRCAPITAYSTGDKY T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLM 3iv0A 268 :SLL T0532 232 :SNEDN 3iv0A 274 :RSSVI T0532 238 :QMKYADKANTVYPFH 3iv0A 291 :AQNINFNEIFMMNAK T0532 253 :NTNTKHAGYAMLSTMLIDKFKATG 3iv0A 313 :SCLNKSMPLFCYSGDYLMTLFPMY T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNR 3iv0A 471 :MTRTNFN T0532 465 :RLPMRWMYPKSESDYNLEHQNEALE 3iv0A 478 :VGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 29 number of extra gaps= 1 total=13772 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_711187135.pdb -s /var/tmp/to_scwrl_711187135.seq -o /var/tmp/from_scwrl_711187135.pdb > /var/tmp/scwrl_711187135.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711187135.pdb Number of alignments=962 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSF 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRP T0532 60 :YDELLAKQMAWGESMEDYQY 3iv0A 65 :FLTYSGDMRCAPITAYSTGD T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLM 3iv0A 268 :SLL T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3iv0A 294 :INFNEIFMMNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 26 number of extra gaps= 1 total=13798 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_546317986.pdb -s /var/tmp/to_scwrl_546317986.seq -o /var/tmp/from_scwrl_546317986.pdb > /var/tmp/scwrl_546317986.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_546317986.pdb Number of alignments=963 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSF 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRP T0532 60 :YDE 3iv0A 65 :FLT T0532 64 :LAKQMAWGESMEDYQY 3iv0A 68 :YSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLMESNEDN 3iv0A 268 :SLLDINRSS T0532 238 :QMKYADKANTVYPFHNTNTK 3iv0A 301 :MMNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNT 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTR T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 475 :NFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 27 number of extra gaps= 1 total=13825 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_316841657.pdb -s /var/tmp/to_scwrl_316841657.seq -o /var/tmp/from_scwrl_316841657.pdb > /var/tmp/scwrl_316841657.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_316841657.pdb Number of alignments=964 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSS 3iv0A 40 :NETNAEAFLLSIYNSFRNAT T0532 54 :A 3iv0A 62 :Q T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGDKYVA T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLM 3iv0A 268 :SLL T0532 238 :QMKY 3iv0A 301 :MMNA T0532 245 :ANTVYPFHNTNTKHAGYAMLSTM 3iv0A 305 :KFSDNVSYSCLNKSMPLFCYSGD T0532 268 :LIDKFKATG 3iv0A 329 :LMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=13853 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_378977044.pdb -s /var/tmp/to_scwrl_378977044.seq -o /var/tmp/from_scwrl_378977044.pdb > /var/tmp/scwrl_378977044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_378977044.pdb Number of alignments=965 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)R490 because last residue in template chain is (3iv0A)E503 T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3iv0A 69 :SGDMRCAPITAYSTGDKYVAYLANNDMGE T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKDFDGDP 3iv0A 204 :GAEVLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3iv0A 299 :IFMMNAKFSDNVSYSCLNKSMPLFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 24 number of extra gaps= 1 total=13877 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_309668626.pdb -s /var/tmp/to_scwrl_309668626.seq -o /var/tmp/from_scwrl_309668626.pdb > /var/tmp/scwrl_309668626.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309668626.pdb Number of alignments=966 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGDKYVA T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLET 3iv0A 193 :ADLQP T0532 167 :AYELFSTAKDFDGDP 3iv0A 204 :GAEVLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 242 :ADKANTVYPFHNTNTK 3iv0A 305 :KFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 26 number of extra gaps= 1 total=13903 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1958049401.pdb -s /var/tmp/to_scwrl_1958049401.seq -o /var/tmp/from_scwrl_1958049401.pdb > /var/tmp/scwrl_1958049401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1958049401.pdb Number of alignments=967 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFI 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPF T0532 61 :DE 3iv0A 66 :LT T0532 64 :LAKQMAWGESMEDYQY 3iv0A 68 :YSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLM 3iv0A 268 :SLL T0532 240 :KYADKANTVYPFH 3iv0A 303 :NAKFSDNVSYSCL T0532 256 :TKHAG 3iv0A 316 :NKSMP T0532 261 :YAMLSTMLIDKF 3iv0A 322 :FCYSGDYLMTLF T0532 273 :KATGDIRMFYYAK 3iv0A 335 :MYEDDARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 29 number of extra gaps= 1 total=13932 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_962759271.pdb -s /var/tmp/to_scwrl_962759271.seq -o /var/tmp/from_scwrl_962759271.pdb > /var/tmp/scwrl_962759271.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_962759271.pdb Number of alignments=968 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKS 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQR T0532 59 :IYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGD T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDG 3iv0A 207 :VLPWSYSSYS T0532 180 :D 3iv0A 218 :K T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 238 :QMKYADKANTVYPFHNTN 3iv0A 301 :MMNAKFSDNVSYSCLNKS T0532 259 :AGYAMLS 3iv0A 319 :MPLFCYS T0532 266 :TMLIDKFKATG 3iv0A 327 :DYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=13960 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1548859930.pdb -s /var/tmp/to_scwrl_1548859930.seq -o /var/tmp/from_scwrl_1548859930.pdb > /var/tmp/scwrl_1548859930.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1548859930.pdb Number of alignments=969 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIY 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFL T0532 63 :LLAKQMAWGESMEDYQY 3iv0A 67 :TYSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLM 3iv0A 268 :SLL T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3iv0A 294 :INFNEIFMMNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 27 number of extra gaps= 1 total=13987 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1538852466.pdb -s /var/tmp/to_scwrl_1538852466.seq -o /var/tmp/from_scwrl_1538852466.pdb > /var/tmp/scwrl_1538852466.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538852466.pdb Number of alignments=970 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIY 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFL T0532 62 :E 3iv0A 67 :T T0532 64 :LAKQMAWGESMEDYQY 3iv0A 68 :YSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDA 3iv0A 225 :GSVIALMMHINLWLVQFDAQN T0532 216 :VKERFARIVASG 3iv0A 246 :KEQYYRNVVSLG T0532 228 :SLMESNEDNL 3iv0A 259 :ELERNNGAYS T0532 239 :MKYADKANTVYPFHNTNTK 3iv0A 302 :MNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNT 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTR T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 475 :NFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 27 number of extra gaps= 1 total=14014 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2141897389.pdb -s /var/tmp/to_scwrl_2141897389.seq -o /var/tmp/from_scwrl_2141897389.pdb > /var/tmp/scwrl_2141897389.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2141897389.pdb Number of alignments=971 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSS 3iv0A 40 :NETNAEAFLLSIYNSFRNAT T0532 54 :A 3iv0A 62 :Q T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3iv0A 64 :PFLTYSGDMRCAPITAYSTGDKYVA T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLM 3iv0A 268 :SLL T0532 231 :ESNEDNLQMKYADKANTVYPFHNTN 3iv0A 294 :INFNEIFMMNAKFSDNVSYSCLNKS T0532 259 :AGYAMLSTM 3iv0A 319 :MPLFCYSGD T0532 268 :LIDKFKATG 3iv0A 329 :LMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=14042 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1385910379.pdb -s /var/tmp/to_scwrl_1385910379.seq -o /var/tmp/from_scwrl_1385910379.pdb > /var/tmp/scwrl_1385910379.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385910379.pdb Number of alignments=972 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3iv0A 58 :ATMSQRPFLTYSGDMRCAPITAYSTGDKY T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLMESNEDNL 3iv0A 268 :SLLDINRSSV T0532 241 :YADKANTVYPFH 3iv0A 293 :NINFNEIFMMNA T0532 253 :NTNTKHAGYAMLSTMLI 3iv0A 313 :SCLNKSMPLFCYSGDYL T0532 270 :DKFKATG 3iv0A 331 :TLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 28 number of extra gaps= 1 total=14070 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_820598614.pdb -s /var/tmp/to_scwrl_820598614.seq -o /var/tmp/from_scwrl_820598614.pdb > /var/tmp/scwrl_820598614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820598614.pdb Number of alignments=973 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDIT 3iv0A 40 :NETNAEAFLLSIYNSFR T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3iv0A 58 :ATMSQRPFLTYSGDMRCAPITAYSTGDKY T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVA 3iv0A 252 :NVVSLGEELER T0532 226 :SG 3iv0A 264 :NG T0532 228 :SLM 3iv0A 268 :SLL T0532 232 :SNEDN 3iv0A 274 :RSSVI T0532 238 :QMKYADKANTVYPFH 3iv0A 291 :AQNINFNEIFMMNAK T0532 253 :NTNTKHAGYAMLSTMLIDKFKATG 3iv0A 313 :SCLNKSMPLFCYSGDYLMTLFPMY T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNR 3iv0A 471 :MTRTNFN T0532 465 :RLPMRWMYPKSESDYNLEHQNEALE 3iv0A 478 :VGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 29 number of extra gaps= 1 total=14099 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_294862580.pdb -s /var/tmp/to_scwrl_294862580.seq -o /var/tmp/from_scwrl_294862580.pdb > /var/tmp/scwrl_294862580.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294862580.pdb Number of alignments=974 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSF 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRP T0532 60 :YDELLAKQMAWGESMEDYQY 3iv0A 65 :FLTYSGDMRCAPITAYSTGD T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLM 3iv0A 268 :SLL T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3iv0A 294 :INFNEIFMMNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLP 3iv0A 451 :YYYDLVRTGKVYNR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 466 :YCMNPMTRTNFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 26 number of extra gaps= 1 total=14125 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_532159218.pdb -s /var/tmp/to_scwrl_532159218.seq -o /var/tmp/from_scwrl_532159218.pdb > /var/tmp/scwrl_532159218.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_532159218.pdb Number of alignments=975 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)S309 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)L310 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSF 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRP T0532 60 :YDE 3iv0A 65 :FLT T0532 64 :LAKQMAWGESMEDYQY 3iv0A 68 :YSGDMRCAPITAYSTG T0532 80 :NVFGRSGFGG 3iv0A 107 :RGGLIMQWDV T0532 90 :YTTLINAQKMVESV 3iv0A 118 :YTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYE 3iv0A 193 :ADLQPLLD T0532 170 :LFSTAKDFDGDP 3iv0A 207 :VLPWSYSSYSSK T0532 184 :GGSISK 3iv0A 219 :GIRASR T0532 192 :KATTAFQLKVLMHLSKKESDADL 3iv0A 225 :GSVIALMMHINLWLVQFDAQNKE T0532 215 :KVKERFARIVASG 3iv0A 252 :NVVSLGEELERNN T0532 228 :SLMESNEDN 3iv0A 268 :SLLDINRSS T0532 238 :QMKYADKANTVYPFHNTNTK 3iv0A 301 :MMNAKFSDNVSYSCLNKSMP T0532 260 :GYAMLSTMLIDKFKATG 3iv0A 321 :LFCYSGDYLMTLFPMYE T0532 277 :DIRMFYYAK 3iv0A 339 :DARKELWFD T0532 301 :DAYIGTDP 3iv0A 348 :EKIYSTSV T0532 311 :P 3iv0A 358 :S T0532 317 :KAYATEQYSGFNAR 3iv0A 359 :APKEIKKFWNIDTY T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3iv0A 375 :GTITSNSGNQIVFRYAGALLLYAEALAALG T0532 361 :ISGDASAYYKK 3iv0A 406 :NDTKACELLNR T0532 373 :IRAHMEFIAS 3iv0A 417 :VRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASF 3iv0A 427 :NTSGSELMDAIFWERCRELI T0532 434 :QHPY 3iv0A 447 :GEGH T0532 439 :VYYDYRRTGYPVLPINPATNRNT 3iv0A 451 :YYYDLVRTGKVYNRNYCMNPMTR T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALE 3iv0A 475 :NFNVGAWTWPIHRNALKNNTQIGLNLFW Number of specific fragments extracted= 27 number of extra gaps= 1 total=14152 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1319114058.pdb -s /var/tmp/to_scwrl_1319114058.seq -o /var/tmp/from_scwrl_1319114058.pdb > /var/tmp/scwrl_1319114058.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1319114058.pdb Number of alignments=976 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVS T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3iv0A 256 :LGEELERNNGAYSLLDINRSSVIFAG T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNTQ T0532 498 :VNKLMWI 3iv0A 496 :IGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14169 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_856916508.pdb -s /var/tmp/to_scwrl_856916508.seq -o /var/tmp/from_scwrl_856916508.pdb > /var/tmp/scwrl_856916508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_856916508.pdb Number of alignments=977 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVS T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3iv0A 256 :LGEELERNNGAYSLLDINRSSVIFAG T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14186 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1281252972.pdb -s /var/tmp/to_scwrl_1281252972.seq -o /var/tmp/from_scwrl_1281252972.pdb > /var/tmp/scwrl_1281252972.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1281252972.pdb Number of alignments=978 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNTQ T0532 498 :VNKLMWI 3iv0A 496 :IGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14203 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1495996230.pdb -s /var/tmp/to_scwrl_1495996230.seq -o /var/tmp/from_scwrl_1495996230.pdb > /var/tmp/scwrl_1495996230.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1495996230.pdb Number of alignments=979 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14220 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1484418830.pdb -s /var/tmp/to_scwrl_1484418830.seq -o /var/tmp/from_scwrl_1484418830.pdb > /var/tmp/scwrl_1484418830.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1484418830.pdb Number of alignments=980 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASE T0532 412 :LSGEKEADIEKILTQRYLASFM 3iv0A 426 :INTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14237 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_900223008.pdb -s /var/tmp/to_scwrl_900223008.seq -o /var/tmp/from_scwrl_900223008.pdb > /var/tmp/scwrl_900223008.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900223008.pdb Number of alignments=981 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASE T0532 412 :LSGEKEADIEKILTQRYLASFM 3iv0A 426 :INTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14254 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1016789468.pdb -s /var/tmp/to_scwrl_1016789468.seq -o /var/tmp/from_scwrl_1016789468.pdb > /var/tmp/scwrl_1016789468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1016789468.pdb Number of alignments=982 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14271 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2103291792.pdb -s /var/tmp/to_scwrl_2103291792.seq -o /var/tmp/from_scwrl_2103291792.pdb > /var/tmp/scwrl_2103291792.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2103291792.pdb Number of alignments=983 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFD 3iv0A 213 :SSYS T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 217 :SKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTN T0532 363 :GDASAYY 3iv0A 408 :TKACELL T0532 371 :KAIRAHMEFI 3iv0A 415 :NRVRNRAHAS T0532 411 :QLSGEKEADIEKILTQRYLASFM 3iv0A 425 :EINTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 20 number of extra gaps= 2 total=14291 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_981080577.pdb -s /var/tmp/to_scwrl_981080577.seq -o /var/tmp/from_scwrl_981080577.pdb > /var/tmp/scwrl_981080577.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_981080577.pdb Number of alignments=984 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14308 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1013609815.pdb -s /var/tmp/to_scwrl_1013609815.seq -o /var/tmp/from_scwrl_1013609815.pdb > /var/tmp/scwrl_1013609815.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1013609815.pdb Number of alignments=985 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)G294 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)V295 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFD 3iv0A 213 :SSYS T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 217 :SKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLFEIAQNINFNEIFMMNAKFSDN T0532 273 :KATGDIRMFYYAKPAKAKLNE 3iv0A 335 :MYEDDARKELWFDEKIYSTSV T0532 296 :TADSWDAYIGTDPSLP 3iv0A 358 :SAPKEIKKFWNIDTYG T0532 330 :RYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3iv0A 374 :NGTITSNSGNQIVFRYAGALLLYAEALAALGTN T0532 363 :GDASAYYKKAIRAH 3iv0A 408 :TKACELLNRVRNRA T0532 378 :E 3iv0A 422 :H T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3iv0A 423 :ASEINTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVL 3iv0A 448 :EGHYYYDLVRTGKVYN T0532 456 :AT 3iv0A 468 :MN T0532 465 :RLPMRWMYPKSESDYN 3iv0A 478 :VGAWTWPIHRNALKNN T0532 496 :DDVNKLMWI 3iv0A 494 :TQIGLNLFW Number of specific fragments extracted= 20 number of extra gaps= 2 total=14328 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_428547797.pdb -s /var/tmp/to_scwrl_428547797.seq -o /var/tmp/from_scwrl_428547797.pdb > /var/tmp/scwrl_428547797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_428547797.pdb Number of alignments=986 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14345 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1309686948.pdb -s /var/tmp/to_scwrl_1309686948.seq -o /var/tmp/from_scwrl_1309686948.pdb > /var/tmp/scwrl_1309686948.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1309686948.pdb Number of alignments=987 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 Warning: unaligning (T0532)L505 because last residue in template chain is (3iv0A)E503 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMWI 3iv0A 495 :QIGLNLFW Number of specific fragments extracted= 17 number of extra gaps= 2 total=14362 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_581508832.pdb -s /var/tmp/to_scwrl_581508832.seq -o /var/tmp/from_scwrl_581508832.pdb > /var/tmp/scwrl_581508832.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_581508832.pdb Number of alignments=988 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVS T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3iv0A 256 :LGEELERNNGAYSLLDINRSSVIFAG T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNTQI T0532 499 :NKLMW 3iv0A 497 :GLNLF Number of specific fragments extracted= 17 number of extra gaps= 2 total=14379 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_757260079.pdb -s /var/tmp/to_scwrl_757260079.seq -o /var/tmp/from_scwrl_757260079.pdb > /var/tmp/scwrl_757260079.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_757260079.pdb Number of alignments=989 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVS T0532 226 :SGSLMESNEDNLQMKYADKANTVYPF 3iv0A 256 :LGEELERNNGAYSLLDINRSSVIFAG T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNTQI Number of specific fragments extracted= 15 number of extra gaps= 2 total=14394 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1457996745.pdb -s /var/tmp/to_scwrl_1457996745.seq -o /var/tmp/from_scwrl_1457996745.pdb > /var/tmp/scwrl_1457996745.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457996745.pdb Number of alignments=990 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNTQI T0532 499 :NKLMW 3iv0A 497 :GLNLF Number of specific fragments extracted= 16 number of extra gaps= 2 total=14410 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_236960504.pdb -s /var/tmp/to_scwrl_236960504.seq -o /var/tmp/from_scwrl_236960504.pdb > /var/tmp/scwrl_236960504.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_236960504.pdb Number of alignments=991 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMW 3iv0A 495 :QIGLNLF Number of specific fragments extracted= 16 number of extra gaps= 2 total=14426 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_389465498.pdb -s /var/tmp/to_scwrl_389465498.seq -o /var/tmp/from_scwrl_389465498.pdb > /var/tmp/scwrl_389465498.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_389465498.pdb Number of alignments=992 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASE T0532 412 :LSGEKEADIEKILTQRYLASFM 3iv0A 426 :INTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT Number of specific fragments extracted= 15 number of extra gaps= 2 total=14441 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_21700233.pdb -s /var/tmp/to_scwrl_21700233.seq -o /var/tmp/from_scwrl_21700233.pdb > /var/tmp/scwrl_21700233.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21700233.pdb Number of alignments=993 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASE T0532 412 :LSGEKEADIEKILTQRYLASFM 3iv0A 426 :INTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNTQ T0532 498 :VNKLMW 3iv0A 496 :IGLNLF Number of specific fragments extracted= 17 number of extra gaps= 2 total=14458 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_783278491.pdb -s /var/tmp/to_scwrl_783278491.seq -o /var/tmp/from_scwrl_783278491.pdb > /var/tmp/scwrl_783278491.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_783278491.pdb Number of alignments=994 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT Number of specific fragments extracted= 16 number of extra gaps= 2 total=14474 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_706307155.pdb -s /var/tmp/to_scwrl_706307155.seq -o /var/tmp/from_scwrl_706307155.pdb > /var/tmp/scwrl_706307155.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_706307155.pdb Number of alignments=995 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFD 3iv0A 213 :SSYS T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 217 :SKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTN T0532 363 :GDASAYY 3iv0A 408 :TKACELL T0532 371 :KAIRAHMEFI 3iv0A 415 :NRVRNRAHAS T0532 411 :QLSGEKEADIEKILTQRYLASFM 3iv0A 425 :EINTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNTQI T0532 499 :N 3iv0A 497 :G Number of specific fragments extracted= 20 number of extra gaps= 2 total=14494 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_400677277.pdb -s /var/tmp/to_scwrl_400677277.seq -o /var/tmp/from_scwrl_400677277.pdb > /var/tmp/scwrl_400677277.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_400677277.pdb Number of alignments=996 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMW 3iv0A 495 :QIGLNLF Number of specific fragments extracted= 17 number of extra gaps= 2 total=14511 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1092947116.pdb -s /var/tmp/to_scwrl_1092947116.seq -o /var/tmp/from_scwrl_1092947116.pdb > /var/tmp/scwrl_1092947116.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1092947116.pdb Number of alignments=997 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)T28 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)G294 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)V295 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 29 :DPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 35 :FWAQGNETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFD 3iv0A 213 :SSYS T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 217 :SKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLFEIAQNINFNEIFMMNAKFSDN T0532 273 :KATGDIRMFYYAKPAKAKLNE 3iv0A 335 :MYEDDARKELWFDEKIYSTSV T0532 296 :TADSWDAYIGTDPSLP 3iv0A 358 :SAPKEIKKFWNIDTYG T0532 330 :RYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3iv0A 374 :NGTITSNSGNQIVFRYAGALLLYAEALAALGTN T0532 363 :GDASAYYKKAIRAH 3iv0A 408 :TKACELLNRVRNRA T0532 378 :E 3iv0A 422 :H T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3iv0A 423 :ASEINTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVL 3iv0A 448 :EGHYYYDLVRTGKVYN T0532 456 :AT 3iv0A 468 :MN T0532 465 :RLPMRWMYPKSESDYN 3iv0A 478 :VGAWTWPIHRNALKNN Number of specific fragments extracted= 18 number of extra gaps= 2 total=14529 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_516872909.pdb -s /var/tmp/to_scwrl_516872909.seq -o /var/tmp/from_scwrl_516872909.pdb > /var/tmp/scwrl_516872909.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_516872909.pdb Number of alignments=998 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT Number of specific fragments extracted= 16 number of extra gaps= 2 total=14545 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1363436547.pdb -s /var/tmp/to_scwrl_1363436547.seq -o /var/tmp/from_scwrl_1363436547.pdb > /var/tmp/scwrl_1363436547.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1363436547.pdb Number of alignments=999 # 3iv0A read from all-align.a2m # found chain 3iv0A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3iv0A)D34 Warning: unaligning (T0532)G71 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3iv0A)N100 Warning: unaligning (T0532)E72 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3iv0A)N100 Warning: unaligning (T0532)L139 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)P178 Warning: unaligning (T0532)R147 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)P178 Warning: unaligning (T0532)F159 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3iv0A)L192 Warning: unaligning (T0532)L161 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3iv0A)L192 Warning: unaligning (T0532)F312 because of BadResidue code BAD_PEPTIDE in next template residue (3iv0A)S357 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE at template residue (3iv0A)S357 T0532 31 :DAT 3iv0A 35 :FWA T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3iv0A 40 :NETNAEAFLLSIYNSFRNATMSQRPFLTYSGDMRC T0532 69 :AW 3iv0A 97 :EL T0532 73 :SMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3iv0A 101 :TYPDDARGGLIMQWDVFYTAIQDANILLAEI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3iv0A 138 :DELKRSRFKAEAIFMRSLSYFFIVRAFGDVPYYTN T0532 148 :PKYNTQKEVMN 3iv0A 179 :LPRTNMVIVLQ T0532 162 :SDLETAYELFSTA 3iv0A 193 :ADLQPLLDDDPGA T0532 175 :KDFDGDPILGGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIV 3iv0A 208 :LPWSYSSYSSKGIRASRGSVIALMMHINLWLVQFDAQNKEQYYRNVVSLG T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3iv0A 262 :RNNGAYSLLDINRSSVIFAGGSDEGLF T0532 252 :HNTNTKHAGYAMLSTMLIDKF 3iv0A 290 :IAQNINFNEIFMMNAKFSDNV T0532 273 :KATGDIRMFYYAKPAKAK 3iv0A 335 :MYEDDARKELWFDEKIYS T0532 309 :SLP 3iv0A 353 :TSV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3iv0A 358 :SAPKEIKKFWNIDTYGNGTITSNSGNQIVFRYAGALLLYAEALAALGTNDTKACELLNRVRNRAHASEI T0532 413 :SGEKEADIEKILTQRYLASFM 3iv0A 427 :NTSGSELMDAIFWERCRELIG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3iv0A 448 :EGHYYYDLVRTGKVYNRNYCMN T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3iv0A 471 :MTRTNFNVGAWTWPIHRNALKNNT T0532 497 :DVNKLMW 3iv0A 495 :QIGLNLF Number of specific fragments extracted= 17 number of extra gaps= 2 total=14562 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_494323400.pdb -s /var/tmp/to_scwrl_494323400.seq -o /var/tmp/from_scwrl_494323400.pdb > /var/tmp/scwrl_494323400.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_494323400.pdb Number of alignments=1000 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)Y7 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 8 :ISLLLATALLASCDKFDEINTDP 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYN T0532 43 :TGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGR 3jq0A 61 :FFLLGEPRADIYGDNPIGGEASQGMERLPFNTINKENVGISN T0532 86 :GFGGYTTLINAQKMVES 3jq0A 103 :YGDMYKIINQINQMIAK T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 126 :LTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAK 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDY T0532 181 :PILGGSISKWKKATTAFQLKVLMHLS 3jq0A 203 :SFKLGRHFWSAAATQMLKGEAYLWSG T0532 207 :KKESDADLKVKERFARIVASG 3jq0A 232 :NGGNSDYTIAKNAFENVKKAD T0532 228 :SLME 3jq0A 254 :GLVT T0532 232 :SNEDNLQMKYADKANTVYPFHNTNTKHA 3jq0A 259 :SFKDIFSFENKKNKEMIFTIHNGKDEYE T0532 260 :GYAMLSTMLIDKFK 3jq0A 328 :QLQVRREFYFKGFR T0532 275 :TGDIRMFYYAKPAKAKLNEGVTA 3jq0A 342 :NNDTRWTTSLKAVYKKDAQGVVS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jq0A 365 :YFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGE T0532 364 :DASAYYKKAIRAHM 3jq0A 412 :DPTEEINAVRERAY T0532 383 :NTPDEEVYHHGHPITEEAIAAFLE 3jq0A 426 :GSKYFNEHKAEIAYPNDNDPEFYT T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQH 3jq0A 450 :DNKWMKPDNAGALEAILKERLREFMFEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDY 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTN T0532 485 :NEALERQFG 3jq0A 514 :NSALKQTPG T0532 503 :W 3jq0A 523 :Y Number of specific fragments extracted= 19 number of extra gaps= 0 total=14581 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2055725376.pdb -s /var/tmp/to_scwrl_2055725376.seq -o /var/tmp/from_scwrl_2055725376.pdb > /var/tmp/scwrl_2055725376.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2055725376.pdb Number of alignments=1001 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)Y7 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 8 :ISLLLATALLASCDKF 3jq0A 38 :KNPDQFTAFNTGLHAL T0532 39 :SLLATGLLLDITSSSASKSFIYDE 3jq0A 61 :FFLLGEPRADIYGDNPIGGEASQG T0532 67 :QMAWGESMEDYQYNVFGR 3jq0A 85 :MERLPFNTINKENVGISN T0532 87 :F 3jq0A 103 :Y T0532 88 :GGYTTLINAQKM 3jq0A 105 :DMYKIINQINQM T0532 100 :VESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 123 :TTILTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAK 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDY T0532 181 :PILGGSISKWKKATTAFQLKVLMHLSKK 3jq0A 203 :SFKLGRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASG 3jq0A 234 :GNSDYTIAKNAFENVKKAD T0532 228 :SLME 3jq0A 254 :GLVT T0532 232 :SNEDNLQMKYADK 3jq0A 259 :SFKDIFSFENKKN T0532 245 :AN 3jq0A 284 :EY T0532 247 :TVYPFHNTNTKHA 3jq0A 303 :MVKIYCDENGNSF T0532 260 :GYAMLSTMLIDKFK 3jq0A 328 :QLQVRREFYFKGFR T0532 275 :TGDIRMFYYAKPAKAKLNEGVTA 3jq0A 342 :NNDTRWTTSLKAVYKKDAQGVVS T0532 319 :YATEQYSGFNARYT 3jq0A 368 :PITYKFQGTMLEGG T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 383 :TRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 364 :DASAYYKKAIRAHM 3jq0A 412 :DPTEEINAVRERAY T0532 383 :NTPDEEVYHHGHPITEEAIAAFLE 3jq0A 426 :GSKYFNEHKAEIAYPNDNDPEFYT T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQH 3jq0A 450 :DNKWMKPDNAGALEAILKERLREFMFEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDY 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTN T0532 485 :NEALERQFG 3jq0A 514 :NSALKQTPG Number of specific fragments extracted= 23 number of extra gaps= 0 total=14604 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1357850289.pdb -s /var/tmp/to_scwrl_1357850289.seq -o /var/tmp/from_scwrl_1357850289.pdb > /var/tmp/scwrl_1357850289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1357850289.pdb Number of alignments=1002 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 115 :QMIAKTTETTILTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAK 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDY T0532 181 :PILGGSISKWKKATTAFQLKVLMHLS 3jq0A 203 :SFKLGRHFWSAAATQMLKGEAYLWSG T0532 207 :KKESDADLKVKERFARIVASG 3jq0A 232 :NGGNSDYTIAKNAFENVKKAD T0532 228 :SLME 3jq0A 254 :GLVT T0532 232 :SNEDNLQMKYADKANTVYPFHNTNTKHA 3jq0A 259 :SFKDIFSFENKKNKEMIFTIHNGKDEYE T0532 260 :GYAMLSTMLIDKFK 3jq0A 328 :QLQVRREFYFKGFR T0532 275 :TGDIRMFYYAKPAKAKLNEGVTA 3jq0A 342 :NNDTRWTTSLKAVYKKDAQGVVS T0532 315 :IEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jq0A 365 :YFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGE T0532 364 :DASAYYKKAIRAHM 3jq0A 412 :DPTEEINAVRERAY T0532 383 :NTPDEEVYHHGHPITEEAIAAFLE 3jq0A 426 :GSKYFNEHKAEIAYPNDNDPEFYT T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQH 3jq0A 450 :DNKWMKPDNAGALEAILKERLREFMFEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYN 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNN Number of specific fragments extracted= 14 number of extra gaps= 0 total=14618 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1880233780.pdb -s /var/tmp/to_scwrl_1880233780.seq -o /var/tmp/from_scwrl_1880233780.pdb > /var/tmp/scwrl_1880233780.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1880233780.pdb Number of alignments=1003 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 46 :L 3jq0A 60 :N T0532 57 :SFIYDELLAKQMAWGESMEDY 3jq0A 61 :FFLLGEPRADIYGDNPIGGEA T0532 78 :QYNVFGRSGF 3jq0A 90 :FNTINKENVG T0532 88 :GGYTTLINAQKMV 3jq0A 105 :DMYKIINQINQMI T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 124 :TILTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAK 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDY T0532 181 :PILGGSISKWKKATTAFQLKVLMHLSKK 3jq0A 203 :SFKLGRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASG 3jq0A 234 :GNSDYTIAKNAFENVKKAD T0532 228 :SLME 3jq0A 254 :GLVT T0532 232 :SNEDNLQMKYADK 3jq0A 259 :SFKDIFSFENKKN T0532 245 :AN 3jq0A 284 :EY T0532 247 :TVYPFHNTNTKHA 3jq0A 303 :MVKIYCDENGNSF T0532 260 :GYAMLSTMLIDKFK 3jq0A 328 :QLQVRREFYFKGFR T0532 275 :TGDIRMFYYAKPAKAKLNEGVTA 3jq0A 342 :NNDTRWTTSLKAVYKKDAQGVVS T0532 319 :YATEQYSGFNARYT 3jq0A 368 :PITYKFQGTMLEGG T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 383 :TRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 364 :DASAYYKKAIRAHM 3jq0A 412 :DPTEEINAVRERAY T0532 383 :NTPDEEVYHHGHPITEEAIAAFLE 3jq0A 426 :GSKYFNEHKAEIAYPNDNDPEFYT T0532 408 :PAIQLSGEKEADIEKILTQRYLASFMQH 3jq0A 450 :DNKWMKPDNAGALEAILKERLREFMFEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNL 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNS Number of specific fragments extracted= 21 number of extra gaps= 0 total=14639 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_728840343.pdb -s /var/tmp/to_scwrl_728840343.seq -o /var/tmp/from_scwrl_728840343.pdb > /var/tmp/scwrl_728840343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_728840343.pdb Number of alignments=1004 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 1 :MKRINKYISLLLATALLASCDKFD 3jq0A 37 :WKNPDQFTAFNTGLHALLREKSYN T0532 44 :GLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVES 3jq0A 61 :FFLLGEPRADIYGDNPIGGEASQGMERLPFNTINKENVGISNYGDMYKIINQINQMIAK T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 126 :LTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYS T0532 180 :DPILGGSISKW 3jq0A 204 :FKLGRHFWSAA T0532 193 :ATTAFQLKVLMHLS 3jq0A 215 :ATQMLKGEAYLWSG T0532 207 :KKESDADLKVKERFARIVASG 3jq0A 232 :NGGNSDYTIAKNAFENVKKAD T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAML 3jq0A 255 :LVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGY T0532 265 :STMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3jq0A 332 :RREFYFKGFRNNDTRWTTSLKAVYKKDAQGVV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jq0A 364 :SYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGE T0532 365 :ASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITEE 3jq0A 412 :DPTEEINAVRERAYGSKYFNEHKAEIAYPNDNDPE T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASFMQ 3jq0A 447 :FYTDNKWMKPDNAGALEAILKERLREFMFE T0532 437 :YDVYYDYRRTGYPVLP 3jq0A 477 :GKRWYDIRLLGWDYVH T0532 491 :QFGGVDDVNKLMWILQ 3jq0A 493 :QYSSAEQSRLLWPIDA Number of specific fragments extracted= 14 number of extra gaps= 0 total=14653 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1652712870.pdb -s /var/tmp/to_scwrl_1652712870.seq -o /var/tmp/from_scwrl_1652712870.pdb > /var/tmp/scwrl_1652712870.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1652712870.pdb Number of alignments=1005 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 1 :MKRINKYISLLLATALLASCDKFD 3jq0A 37 :WKNPDQFTAFNTGLHALLREKSYN T0532 43 :TGLLLDITSSSASK 3jq0A 61 :FFLLGEPRADIYGD T0532 57 :SFIYDELLAKQMAWG 3jq0A 76 :PIGGEASQGMERLPF T0532 74 :MEDYQYNVFGRSGFGGYT 3jq0A 91 :NTINKENVGISNYGDMYK T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 115 :QMIAKTTETTILTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYS T0532 178 :D 3jq0A 205 :K T0532 182 :ILGGSISKW 3jq0A 206 :LGRHFWSAA T0532 193 :ATTAFQLKVLMHLS 3jq0A 215 :ATQMLKGEAYLWSG T0532 207 :KKESDADL 3jq0A 231 :MNGGNSDY T0532 215 :KVKERFARIVAS 3jq0A 240 :IAKNAFENVKKA T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTN 3jq0A 266 :FENKKNKEMIFTIHNGKDEYEMWGGYYRM T0532 256 :TKH 3jq0A 323 :LNG T0532 269 :IDKFKATGDIRMFYYAKPAKAKLNEGVT 3jq0A 336 :YFKGFRNNDTRWTTSLKAVYKKDAQGVV T0532 321 :TEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jq0A 371 :YKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGE T0532 364 :DASAYYK 3jq0A 412 :DPTEEIN T0532 372 :AIRAH 3jq0A 419 :AVRER T0532 377 :MEFIASNTPD 3jq0A 426 :GSKYFNEHKA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASFMQ 3jq0A 447 :FYTDNKWMKPDNAGALEAILKERLREFMFE T0532 437 :YDVYYDYRRTGYPVLP 3jq0A 477 :GKRWYDIRLLGWDYVH T0532 494 :GVDDVNKLMWILQ 3jq0A 496 :SAEQSRLLWPIDA Number of specific fragments extracted= 21 number of extra gaps= 0 total=14674 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_264909351.pdb -s /var/tmp/to_scwrl_264909351.seq -o /var/tmp/from_scwrl_264909351.pdb > /var/tmp/scwrl_264909351.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_264909351.pdb Number of alignments=1006 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 115 :QMIAKTTETTILTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYS T0532 180 :DPILGGSISKW 3jq0A 204 :FKLGRHFWSAA T0532 193 :ATTAFQLKVLMHLS 3jq0A 215 :ATQMLKGEAYLWSG T0532 207 :KKESDADLKVKERFARIVASG 3jq0A 232 :NGGNSDYTIAKNAFENVKKAD T0532 228 :SLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAML 3jq0A 255 :LVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGY T0532 265 :STMLIDKFKATGDIRMFYYAKPAKAKLNEGVT 3jq0A 332 :RREFYFKGFRNNDTRWTTSLKAVYKKDAQGVV T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVR 3jq0A 364 :SYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVL Number of specific fragments extracted= 8 number of extra gaps= 0 total=14682 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2047954401.pdb -s /var/tmp/to_scwrl_2047954401.seq -o /var/tmp/from_scwrl_2047954401.pdb > /var/tmp/scwrl_2047954401.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2047954401.pdb Number of alignments=1007 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 90 :YT 3jq0A 107 :YK T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 115 :QMIAKTTETTILTEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYS T0532 178 :D 3jq0A 205 :K T0532 182 :ILGGSISKW 3jq0A 206 :LGRHFWSAA T0532 193 :ATTAFQLKVLMHLS 3jq0A 215 :ATQMLKGEAYLWSG T0532 207 :KKESDADL 3jq0A 231 :MNGGNSDY T0532 215 :KVKERFARIVAS 3jq0A 240 :IAKNAFENVKKA T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTN 3jq0A 266 :FENKKNKEMIFTIHNGKDEYEMWGGYYRM T0532 256 :TKH 3jq0A 323 :LNG T0532 269 :IDKFKATGDIRMFYYAKPAKAKLNEGVT 3jq0A 336 :YFKGFRNNDTRWTTSLKAVYKKDAQGVV T0532 321 :TEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jq0A 371 :YKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGE T0532 364 :DASAYYK 3jq0A 412 :DPTEEIN T0532 372 :AIRAH 3jq0A 419 :AVRER T0532 377 :MEFIASNTPD 3jq0A 426 :GSKYFNEHKA T0532 405 :LETPAIQLSGEKEADIEKILTQRYLASFMQ 3jq0A 447 :FYTDNKWMKPDNAGALEAILKERLREFMFE T0532 437 :YDVYYDYRRTGYPVLP 3jq0A 477 :GKRWYDIRLLGWDYVH Number of specific fragments extracted= 17 number of extra gaps= 0 total=14699 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_362145731.pdb -s /var/tmp/to_scwrl_362145731.seq -o /var/tmp/from_scwrl_362145731.pdb > /var/tmp/scwrl_362145731.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_362145731.pdb Number of alignments=1008 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)E137 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 109 :NAYDGLAHFIKAYKIFYMSMEMGD 3jq0A 132 :NYYLGEAYGMRAYLYFHLLRSWGD T0532 133 :LPYE 3jq0A 160 :LDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDF 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSF Number of specific fragments extracted= 3 number of extra gaps= 0 total=14702 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1546162324.pdb -s /var/tmp/to_scwrl_1546162324.seq -o /var/tmp/from_scwrl_1546162324.pdb > /var/tmp/scwrl_1546162324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1546162324.pdb Number of alignments=1009 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)E137 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 82 :FGRSGFGGYTTLINA 3jq0A 98 :VGISNYGDMYKIINQ T0532 97 :QKMVES 3jq0A 114 :NQMIAK T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGD 3jq0A 126 :LTEATQNYYLGEAYGMRAYLYFHLLRSWGD T0532 133 :LPYE 3jq0A 160 :LDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK Number of specific fragments extracted= 5 number of extra gaps= 0 total=14707 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1396466984.pdb -s /var/tmp/to_scwrl_1396466984.seq -o /var/tmp/from_scwrl_1396466984.pdb > /var/tmp/scwrl_1396466984.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1396466984.pdb Number of alignments=1010 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 184 :GGS 3jq0A 206 :LGR T0532 188 :SKWKKAT 3jq0A 209 :HFWSAAA T0532 195 :TAFQLKVLMHLSKKESDADL 3jq0A 217 :QMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYAM 3jq0A 287 :MWGGYY T0532 264 :LSTMLIDKFKATG 3jq0A 299 :AQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTGYP 3jq0A 479 :RWYDIRLLGWD T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 490 :YVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 25 number of extra gaps= 0 total=14732 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1846564561.pdb -s /var/tmp/to_scwrl_1846564561.seq -o /var/tmp/from_scwrl_1846564561.pdb > /var/tmp/scwrl_1846564561.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1846564561.pdb Number of alignments=1011 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq0A 273 :EMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=14755 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_298901685.pdb -s /var/tmp/to_scwrl_298901685.seq -o /var/tmp/from_scwrl_298901685.pdb > /var/tmp/scwrl_298901685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_298901685.pdb Number of alignments=1012 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GS 3jq0A 207 :GR T0532 188 :SKWKKAT 3jq0A 209 :HFWSAAA T0532 195 :TAFQLKVLMHLSKKESDADL 3jq0A 217 :QMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq0A 273 :EMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGE T0532 364 :DASAYYKK 3jq0A 412 :DPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=14779 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_265772806.pdb -s /var/tmp/to_scwrl_265772806.seq -o /var/tmp/from_scwrl_265772806.pdb > /var/tmp/scwrl_265772806.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_265772806.pdb Number of alignments=1013 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAK 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSLK T0532 302 :AYIGTDPSLPFEQ 3jq0A 353 :AVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPDE 3jq0A 420 :VRERAYGSKYFNEHK T0532 392 :HGHPITEEAIAAFLETPAIQ 3jq0A 435 :AEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 22 number of extra gaps= 0 total=14801 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1802372706.pdb -s /var/tmp/to_scwrl_1802372706.seq -o /var/tmp/from_scwrl_1802372706.pdb > /var/tmp/scwrl_1802372706.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1802372706.pdb Number of alignments=1014 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 184 :GGS 3jq0A 206 :LGR T0532 187 :ISK 3jq0A 211 :WSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAK 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSLK T0532 302 :AYIGTDPSLPFEQ 3jq0A 353 :AVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=14824 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1279982261.pdb -s /var/tmp/to_scwrl_1279982261.seq -o /var/tmp/from_scwrl_1279982261.pdb > /var/tmp/scwrl_1279982261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279982261.pdb Number of alignments=1015 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYAM 3jq0A 287 :MWGGYY T0532 264 :LSTMLIDKFKATG 3jq0A 299 :AQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 387 :EEVYHHGHPITEEAIAAFLE 3jq0A 435 :AEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=14848 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1279382620.pdb -s /var/tmp/to_scwrl_1279382620.seq -o /var/tmp/from_scwrl_1279382620.pdb > /var/tmp/scwrl_1279382620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1279382620.pdb Number of alignments=1016 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAK 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSLK T0532 302 :AYIGTDPSLPFEQ 3jq0A 353 :AVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPDEE 3jq0A 420 :VRERAYGSKYFNEHKA T0532 393 :GHPITEEAIAAFLETPAIQ 3jq0A 436 :EIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 22 number of extra gaps= 0 total=14870 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_83436856.pdb -s /var/tmp/to_scwrl_83436856.seq -o /var/tmp/from_scwrl_83436856.pdb > /var/tmp/scwrl_83436856.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_83436856.pdb Number of alignments=1017 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 185 :GSISKWKKAT 3jq0A 206 :LGRHFWSAAA T0532 195 :TAFQLKVLMHLSKKESDADL 3jq0A 217 :QMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 263 :MLSTMLIDKFKATG 3jq0A 298 :PAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=14893 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_442185563.pdb -s /var/tmp/to_scwrl_442185563.seq -o /var/tmp/from_scwrl_442185563.pdb > /var/tmp/scwrl_442185563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_442185563.pdb Number of alignments=1018 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYA 3jq0A 287 :MWGGY T0532 263 :MLS 3jq0A 297 :IPA T0532 266 :TMLIDKFKATG 3jq0A 301 :DKMVKIYCDEN T0532 277 :DIRMFYYAKPAKAKLNEGVTA 3jq0A 344 :DTRWTTSLKAVYKKDAQGVVS T0532 314 :Q 3jq0A 365 :Y T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISG 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDP T0532 366 :SAYYKK 3jq0A 414 :TEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 387 :EEVYHHGHPITEEAIAAFLETPAI 3jq0A 435 :AEIAYPNDNDPEFYTDNKWMKPDN T0532 414 :GE 3jq0A 459 :AG T0532 419 :DIEKILTQRYLASF 3jq0A 461 :ALEAILKERLREFM T0532 434 :QHP 3jq0A 475 :FEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 457 :TNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 491 :VHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 26 number of extra gaps= 0 total=14919 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1860891453.pdb -s /var/tmp/to_scwrl_1860891453.seq -o /var/tmp/from_scwrl_1860891453.pdb > /var/tmp/scwrl_1860891453.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1860891453.pdb Number of alignments=1019 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYA 3jq0A 287 :MWGGY T0532 263 :MLSTMLIDKFKATG 3jq0A 298 :PAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLETPAIQLS 3jq0A 420 :VRERAYGSKYFNEHKAEIAYPNDNDPEFYTDNKWMKPDNAG T0532 419 :DIEKILTQRYLASF 3jq0A 461 :ALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=14942 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_840696935.pdb -s /var/tmp/to_scwrl_840696935.seq -o /var/tmp/from_scwrl_840696935.pdb > /var/tmp/scwrl_840696935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_840696935.pdb Number of alignments=1020 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYAM 3jq0A 287 :MWGGYY T0532 264 :LSTMLIDKFKATG 3jq0A 299 :AQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 387 :EEVYHHGHPITEEAIAAFLETPA 3jq0A 435 :AEIAYPNDNDPEFYTDNKWMKPD T0532 416 :KEADIEKILTQRYLASF 3jq0A 458 :NAGALEAILKERLREFM T0532 434 :QHP 3jq0A 475 :FEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=14966 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1900182308.pdb -s /var/tmp/to_scwrl_1900182308.seq -o /var/tmp/from_scwrl_1900182308.pdb > /var/tmp/scwrl_1900182308.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1900182308.pdb Number of alignments=1021 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYA 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPDEEVY 3jq0A 420 :VRERAYGSKYFNEHKAEI T0532 395 :PITEEAIAAFLETPAIQ 3jq0A 438 :AYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHP 3jq0A 475 :FEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 22 number of extra gaps= 0 total=14988 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2097851957.pdb -s /var/tmp/to_scwrl_2097851957.seq -o /var/tmp/from_scwrl_2097851957.pdb > /var/tmp/scwrl_2097851957.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2097851957.pdb Number of alignments=1022 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 184 :GGS 3jq0A 206 :LGR T0532 188 :SKWKKAT 3jq0A 209 :HFWSAAA T0532 195 :TAFQLKVLMHLSKKESDADL 3jq0A 217 :QMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYAM 3jq0A 287 :MWGGYY T0532 264 :LSTMLIDKFKATG 3jq0A 299 :AQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTGYP 3jq0A 479 :RWYDIRLLGWD T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 490 :YVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 25 number of extra gaps= 0 total=15013 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1230162432.pdb -s /var/tmp/to_scwrl_1230162432.seq -o /var/tmp/from_scwrl_1230162432.pdb > /var/tmp/scwrl_1230162432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1230162432.pdb Number of alignments=1023 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq0A 273 :EMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=15036 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1921882542.pdb -s /var/tmp/to_scwrl_1921882542.seq -o /var/tmp/from_scwrl_1921882542.pdb > /var/tmp/scwrl_1921882542.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1921882542.pdb Number of alignments=1024 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GS 3jq0A 207 :GR T0532 188 :SKWKKAT 3jq0A 209 :HFWSAAA T0532 195 :TAFQLKVLMHLSKKESDADL 3jq0A 217 :QMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq0A 273 :EMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGE T0532 364 :DASAYYKK 3jq0A 412 :DPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=15060 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_733646801.pdb -s /var/tmp/to_scwrl_733646801.seq -o /var/tmp/from_scwrl_733646801.pdb > /var/tmp/scwrl_733646801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_733646801.pdb Number of alignments=1025 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAK 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSLK T0532 302 :AYIGTDPSLPFEQ 3jq0A 353 :AVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPDE 3jq0A 420 :VRERAYGSKYFNEHK T0532 392 :HGHPITEEAIAAFLETPAIQ 3jq0A 435 :AEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 22 number of extra gaps= 0 total=15082 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1936469587.pdb -s /var/tmp/to_scwrl_1936469587.seq -o /var/tmp/from_scwrl_1936469587.pdb > /var/tmp/scwrl_1936469587.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1936469587.pdb Number of alignments=1026 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 184 :GGS 3jq0A 206 :LGR T0532 187 :ISK 3jq0A 211 :WSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAK 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSLK T0532 302 :AYIGTDPSLPFEQ 3jq0A 353 :AVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=15105 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_175076172.pdb -s /var/tmp/to_scwrl_175076172.seq -o /var/tmp/from_scwrl_175076172.pdb > /var/tmp/scwrl_175076172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_175076172.pdb Number of alignments=1027 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYAM 3jq0A 287 :MWGGYY T0532 264 :LSTMLIDKFKATG 3jq0A 299 :AQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 387 :EEVYHHGHPITEEAIAAFLE 3jq0A 435 :AEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=15129 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1826593918.pdb -s /var/tmp/to_scwrl_1826593918.seq -o /var/tmp/from_scwrl_1826593918.pdb > /var/tmp/scwrl_1826593918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1826593918.pdb Number of alignments=1028 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAK 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSLK T0532 302 :AYIGTDPSLPFEQ 3jq0A 353 :AVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPDEE 3jq0A 420 :VRERAYGSKYFNEHKA T0532 393 :GHPITEEAIAAFLETPAIQ 3jq0A 436 :EIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 22 number of extra gaps= 0 total=15151 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_305858850.pdb -s /var/tmp/to_scwrl_305858850.seq -o /var/tmp/from_scwrl_305858850.pdb > /var/tmp/scwrl_305858850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_305858850.pdb Number of alignments=1029 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 185 :GSISKWKKAT 3jq0A 206 :LGRHFWSAAA T0532 195 :TAFQLKVLMHLSKKESDADL 3jq0A 217 :QMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 263 :MLSTMLIDKFKATG 3jq0A 298 :PAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLG T0532 363 :GDASAYYKK 3jq0A 411 :EDPTEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 391 :HHGHPITEEAIAAFLETPAIQ 3jq0A 434 :KAEIAYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=15174 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1538512720.pdb -s /var/tmp/to_scwrl_1538512720.seq -o /var/tmp/from_scwrl_1538512720.pdb > /var/tmp/scwrl_1538512720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1538512720.pdb Number of alignments=1030 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYA 3jq0A 287 :MWGGY T0532 263 :MLS 3jq0A 297 :IPA T0532 266 :TMLIDKFKATG 3jq0A 301 :DKMVKIYCDEN T0532 277 :DIRMFYYAKPAKAKLNEGVTA 3jq0A 344 :DTRWTTSLKAVYKKDAQGVVS T0532 314 :Q 3jq0A 365 :Y T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISG 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDP T0532 366 :SAYYKK 3jq0A 414 :TEEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 387 :EEVYHHGHPITEEAIAAFLETPAI 3jq0A 435 :AEIAYPNDNDPEFYTDNKWMKPDN T0532 414 :GE 3jq0A 459 :AG T0532 419 :DIEKILTQRYLASF 3jq0A 461 :ALEAILKERLREFM T0532 434 :QHP 3jq0A 475 :FEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 457 :TNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 491 :VHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 26 number of extra gaps= 0 total=15200 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_173433671.pdb -s /var/tmp/to_scwrl_173433671.seq -o /var/tmp/from_scwrl_173433671.pdb > /var/tmp/scwrl_173433671.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_173433671.pdb Number of alignments=1031 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYA 3jq0A 287 :MWGGY T0532 263 :MLSTMLIDKFKATG 3jq0A 298 :PAQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPDEEVYHHGHPITEEAIAAFLETPAIQLS 3jq0A 420 :VRERAYGSKYFNEHKAEIAYPNDNDPEFYTDNKWMKPDNAG T0532 419 :DIEKILTQRYLASF 3jq0A 461 :ALEAILKERLREFM T0532 434 :QHPY 3jq0A 475 :FEGK T0532 439 :VYYDYRRTG 3jq0A 479 :RWYDIRLLG T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 23 number of extra gaps= 0 total=15223 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_214100579.pdb -s /var/tmp/to_scwrl_214100579.seq -o /var/tmp/from_scwrl_214100579.pdb > /var/tmp/scwrl_214100579.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_214100579.pdb Number of alignments=1032 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSS 3jq0A 38 :KNPDQFTAFNTGLHALLREK T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQY 3jq0A 58 :SYNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNLQMKYADKANTVYPFHNTNTK 3jq0A 258 :SSFKDIFSFENKKNKEMIFTIHNGKDE T0532 258 :HAGYAM 3jq0A 287 :MWGGYY T0532 264 :LSTMLIDKFKATG 3jq0A 299 :AQDKMVKIYCDEN T0532 277 :DIRMFYYA 3jq0A 344 :DTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPD 3jq0A 420 :VRERAYGSKYFNEH T0532 387 :EEVYHHGHPITEEAIAAFLETPA 3jq0A 435 :AEIAYPNDNDPEFYTDNKWMKPD T0532 416 :KEADIEKILTQRYLASF 3jq0A 458 :NAGALEAILKERLREFM T0532 434 :QHP 3jq0A 475 :FEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 24 number of extra gaps= 0 total=15247 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_748879363.pdb -s /var/tmp/to_scwrl_748879363.seq -o /var/tmp/from_scwrl_748879363.pdb > /var/tmp/scwrl_748879363.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_748879363.pdb Number of alignments=1033 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSS 3jq0A 38 :KNPDQFTAFNTGLHALLREKS T0532 55 :SKSFIYDELLAKQMAWGESMEDYQY 3jq0A 59 :YNFFLLGEPRADIYGDNPIGGEASQ T0532 80 :NVFGRSGFGG 3jq0A 96 :ENVGISNYGD T0532 90 :YTTLINAQKMVESV 3jq0A 107 :YKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKLG T0532 184 :GGSISK 3jq0A 208 :RHFWSA T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jq0A 214 :AATQMLKGEAYLWSGRQMNGGNS T0532 215 :KVKERFARIVASG 3jq0A 240 :IAKNAFENVKKAD T0532 228 :SLM 3jq0A 254 :GLV T0532 231 :ESNEDNL 3jq0A 258 :SSFKDIF T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYA 3jq0A 305 :KIYCDENGNSFVGTPDAQLNGLTQLQVRREFYFKGFRNNDTRWTTSL T0532 301 :DAYIGTDPSLPFEQ 3jq0A 352 :KAVYKKDAQGVVSY T0532 317 :KAYATEQYSGFNAR 3jq0A 366 :FGPITYKFQGTMLE T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGD 3jq0A 381 :GSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPT T0532 367 :AYYKK 3jq0A 415 :EEINA T0532 373 :IRAHMEFIASNTPDEEVY 3jq0A 420 :VRERAYGSKYFNEHKAEI T0532 395 :PITEEAIAAFLETPAIQ 3jq0A 438 :AYPNDNDPEFYTDNKWM T0532 413 :SGEKEADIEKILTQRYLASF 3jq0A 455 :KPDNAGALEAILKERLREFM T0532 434 :QHP 3jq0A 475 :FEG T0532 438 :DVYYDYRRTG 3jq0A 478 :KRWYDIRLLG T0532 454 :NPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 488 :WDYVHQYSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 22 number of extra gaps= 0 total=15269 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2053667451.pdb -s /var/tmp/to_scwrl_2053667451.seq -o /var/tmp/from_scwrl_2053667451.pdb > /var/tmp/scwrl_2053667451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2053667451.pdb Number of alignments=1034 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)D496 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAK 3jq0A 340 :FRNNDTRWTTSLKAVYKK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 358 :DAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEV 3jq0A 417 :INAVRERAYGSKYFNEHKAE T0532 392 :HGHP 3jq0A 439 :YPND T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 443 :NDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPIN 3jq0A 476 :EGKRWYDIRLLGWDYVHQY T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQNE 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSALKQT T0532 493 :GGV 3jq0A 521 :PGY Number of specific fragments extracted= 14 number of extra gaps= 0 total=15283 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_942940922.pdb -s /var/tmp/to_scwrl_942940922.seq -o /var/tmp/from_scwrl_942940922.pdb > /var/tmp/scwrl_942940922.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_942940922.pdb Number of alignments=1035 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEINAVRERAYGSKYFNEHKAEIAYPNDNDPEFY T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 449 :TDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPINP 3jq0A 476 :EGKRWYDIRLLGWDYVHQYS T0532 462 :MNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 496 :SAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 10 number of extra gaps= 0 total=15293 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_254108586.pdb -s /var/tmp/to_scwrl_254108586.seq -o /var/tmp/from_scwrl_254108586.pdb > /var/tmp/scwrl_254108586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_254108586.pdb Number of alignments=1036 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)R490 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEVYHHG 3jq0A 417 :INAVRERAYGSKYFNEHKAEIAYP T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 441 :NDNDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPI 3jq0A 476 :EGKRWYDIRLLGWDYVHQ T0532 460 :NTMNDRLPMRWMYPKSESDYNLEHQNEALE 3jq0A 494 :YSSAEQSRLLWPIDAGTLTNNSALKQTPGY Number of specific fragments extracted= 11 number of extra gaps= 0 total=15304 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_171093156.pdb -s /var/tmp/to_scwrl_171093156.seq -o /var/tmp/from_scwrl_171093156.pdb > /var/tmp/scwrl_171093156.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_171093156.pdb Number of alignments=1037 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEVYHHG 3jq0A 417 :INAVRERAYGSKYFNEHKAEIAYP T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 441 :NDNDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEH 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSAL T0532 493 :GGVDDV 3jq0A 518 :KQTPGY Number of specific fragments extracted= 12 number of extra gaps= 0 total=15316 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_843411676.pdb -s /var/tmp/to_scwrl_843411676.seq -o /var/tmp/from_scwrl_843411676.pdb > /var/tmp/scwrl_843411676.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_843411676.pdb Number of alignments=1038 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3jq0A 340 :FRNNDTRWTTSLKAVYKKDAQG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3jq0A 362 :VVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEINAVRERAYGSKYFNEHKAEIAYPNDNDPEFY T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 449 :TDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGY 3jq0A 476 :EGKRWYDIRLLGW T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3jq0A 492 :HQYSSAEQSRLLWPIDAGTLTNNSALK T0532 494 :GVDDV 3jq0A 519 :QTPGY Number of specific fragments extracted= 12 number of extra gaps= 0 total=15328 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_616254317.pdb -s /var/tmp/to_scwrl_616254317.seq -o /var/tmp/from_scwrl_616254317.pdb > /var/tmp/scwrl_616254317.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616254317.pdb Number of alignments=1039 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHPIT 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPNDND T0532 403 :AFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 445 :PEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEH 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSAL T0532 493 :GGVDDV 3jq0A 518 :KQTPGY Number of specific fragments extracted= 12 number of extra gaps= 0 total=15340 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1717255480.pdb -s /var/tmp/to_scwrl_1717255480.seq -o /var/tmp/from_scwrl_1717255480.pdb > /var/tmp/scwrl_1717255480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1717255480.pdb Number of alignments=1040 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHP 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPND T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 443 :NDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEHQN 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSALKQ T0532 495 :VDDV 3jq0A 520 :TPGY Number of specific fragments extracted= 12 number of extra gaps= 0 total=15352 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_92395014.pdb -s /var/tmp/to_scwrl_92395014.seq -o /var/tmp/from_scwrl_92395014.pdb > /var/tmp/scwrl_92395014.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_92395014.pdb Number of alignments=1041 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGED T0532 365 :ASAYYKKAIRAHMEFIASNTPDEEV 3jq0A 413 :PTEEINAVRERAYGSKYFNEHKAEI T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 448 :YTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPIN 3jq0A 476 :EGKRWYDIRLLGWDYVHQY T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQN 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSALKQ T0532 495 :VDDV 3jq0A 520 :TPGY Number of specific fragments extracted= 12 number of extra gaps= 0 total=15364 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_315335231.pdb -s /var/tmp/to_scwrl_315335231.seq -o /var/tmp/from_scwrl_315335231.pdb > /var/tmp/scwrl_315335231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_315335231.pdb Number of alignments=1042 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)K500 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAK 3jq0A 340 :FRNNDTRWTTSLKAVYKK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 358 :DAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEVYHHGHPITEEAI 3jq0A 417 :INAVRERAYGSKYFNEHKAEIAYPNDNDPEFY T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 449 :TDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVL 3jq0A 476 :EGKRWYDIRLLGWDYV T0532 461 :TMNDRLPMRWMYPKSESDYNLEH 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSAL T0532 493 :GGVD 3jq0A 518 :KQTP T0532 498 :VN 3jq0A 522 :GY Number of specific fragments extracted= 14 number of extra gaps= 0 total=15378 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2016157165.pdb -s /var/tmp/to_scwrl_2016157165.seq -o /var/tmp/from_scwrl_2016157165.pdb > /var/tmp/scwrl_2016157165.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2016157165.pdb Number of alignments=1043 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)K500 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 184 :GGSISKWKKATTAFQLKVLMHLS 3jq0A 206 :LGRHFWSAAATQMLKGEAYLWSG T0532 207 :KKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 231 :MNGGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAK 3jq0A 340 :FRNNDTRWTTSLKAVYKK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jq0A 358 :DAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGED T0532 365 :ASAYYKKAIRAHME 3jq0A 413 :PTEEINAVRERAYG T0532 379 :FIASNTPDEEVYHH 3jq0A 429 :YFNEHKAEIAYPND T0532 396 :ITEEAIAAFLETPAIQLS 3jq0A 443 :NDPEFYTDNKWMKPDNAG T0532 419 :DIEKILTQRYLASFM 3jq0A 461 :ALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGY 3jq0A 476 :EGKRWYDIRLLGW T0532 461 :TMNDRLPMRWMYPKSESDYNLEH 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSAL T0532 494 :GVDDVN 3jq0A 518 :KQTPGY Number of specific fragments extracted= 15 number of extra gaps= 0 total=15393 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_358167820.pdb -s /var/tmp/to_scwrl_358167820.seq -o /var/tmp/from_scwrl_358167820.pdb > /var/tmp/scwrl_358167820.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_358167820.pdb Number of alignments=1044 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKA 3jq0A 340 :FRNNDTRWTTSLKAVYK T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 357 :KDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHPI 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPNDN T0532 402 :AAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 444 :DPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEH 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSAL T0532 493 :GGVDDV 3jq0A 518 :KQTPGY Number of specific fragments extracted= 13 number of extra gaps= 0 total=15406 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2117707938.pdb -s /var/tmp/to_scwrl_2117707938.seq -o /var/tmp/from_scwrl_2117707938.pdb > /var/tmp/scwrl_2117707938.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2117707938.pdb Number of alignments=1045 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq0A)E524 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHPIT 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPNDND T0532 403 :AFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 445 :PEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEH 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSAL T0532 493 :GGVDDV 3jq0A 518 :KQTPGY Number of specific fragments extracted= 12 number of extra gaps= 0 total=15418 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1148655779.pdb -s /var/tmp/to_scwrl_1148655779.seq -o /var/tmp/from_scwrl_1148655779.pdb > /var/tmp/scwrl_1148655779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148655779.pdb Number of alignments=1046 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAK 3jq0A 340 :FRNNDTRWTTSLKAVYKK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 358 :DAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEV 3jq0A 417 :INAVRERAYGSKYFNEHKAE T0532 392 :HGHP 3jq0A 439 :YPND T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 443 :NDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPIN 3jq0A 476 :EGKRWYDIRLLGWDYVHQY T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQN 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSALKQ Number of specific fragments extracted= 13 number of extra gaps= 0 total=15431 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1637550440.pdb -s /var/tmp/to_scwrl_1637550440.seq -o /var/tmp/from_scwrl_1637550440.pdb > /var/tmp/scwrl_1637550440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1637550440.pdb Number of alignments=1047 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEINAVRERAYGSKYFNEHKAEIAYPNDNDPEFY T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 449 :TDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPINP 3jq0A 476 :EGKRWYDIRLLGWDYVHQYS T0532 462 :MNDRLPMRWMYPKSESDYNLEHQN 3jq0A 496 :SAEQSRLLWPIDAGTLTNNSALKQ Number of specific fragments extracted= 10 number of extra gaps= 0 total=15441 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_53661147.pdb -s /var/tmp/to_scwrl_53661147.seq -o /var/tmp/from_scwrl_53661147.pdb > /var/tmp/scwrl_53661147.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_53661147.pdb Number of alignments=1048 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEVYHHG 3jq0A 417 :INAVRERAYGSKYFNEHKAEIAYP T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 441 :NDNDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPI 3jq0A 476 :EGKRWYDIRLLGWDYVHQ T0532 460 :NTMNDRLPMRWMYPKSESDYNLEHQN 3jq0A 494 :YSSAEQSRLLWPIDAGTLTNNSALKQ Number of specific fragments extracted= 11 number of extra gaps= 0 total=15452 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1590841343.pdb -s /var/tmp/to_scwrl_1590841343.seq -o /var/tmp/from_scwrl_1590841343.pdb > /var/tmp/scwrl_1590841343.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590841343.pdb Number of alignments=1049 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEVYHHG 3jq0A 417 :INAVRERAYGSKYFNEHKAEIAYP T0532 399 :EAIAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 441 :NDNDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSA Number of specific fragments extracted= 11 number of extra gaps= 0 total=15463 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1350958246.pdb -s /var/tmp/to_scwrl_1350958246.seq -o /var/tmp/from_scwrl_1350958246.pdb > /var/tmp/scwrl_1350958246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1350958246.pdb Number of alignments=1050 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAKLNEG 3jq0A 340 :FRNNDTRWTTSLKAVYKKDAQG T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEEVYHHGHPITE 3jq0A 362 :VVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEINAVRERAYGSKYFNEHKAEIAYPNDNDPEFY T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 449 :TDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGY 3jq0A 476 :EGKRWYDIRLLGW T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3jq0A 492 :HQYSSAEQSRLLWPIDAGTLTNNSA Number of specific fragments extracted= 11 number of extra gaps= 0 total=15474 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_894358083.pdb -s /var/tmp/to_scwrl_894358083.seq -o /var/tmp/from_scwrl_894358083.pdb > /var/tmp/scwrl_894358083.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_894358083.pdb Number of alignments=1051 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHPIT 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPNDND T0532 403 :AFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 445 :PEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSA Number of specific fragments extracted= 11 number of extra gaps= 0 total=15485 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1343540004.pdb -s /var/tmp/to_scwrl_1343540004.seq -o /var/tmp/from_scwrl_1343540004.pdb > /var/tmp/scwrl_1343540004.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1343540004.pdb Number of alignments=1052 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHP 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPND T0532 401 :IAAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 443 :NDPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLEH 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSAL Number of specific fragments extracted= 11 number of extra gaps= 0 total=15496 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1301326557.pdb -s /var/tmp/to_scwrl_1301326557.seq -o /var/tmp/from_scwrl_1301326557.pdb > /var/tmp/scwrl_1301326557.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301326557.pdb Number of alignments=1053 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQMNGG T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 237 :DYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGED T0532 365 :ASAYYKKAIRAHMEFIASNTPDEEV 3jq0A 413 :PTEEINAVRERAYGSKYFNEHKAEI T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 448 :YTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLPIN 3jq0A 476 :EGKRWYDIRLLGWDYVHQY T0532 461 :TMNDRLPMRWMYPKSESDYNLEHQ 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNSALK Number of specific fragments extracted= 11 number of extra gaps= 0 total=15507 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2124520515.pdb -s /var/tmp/to_scwrl_2124520515.seq -o /var/tmp/from_scwrl_2124520515.pdb > /var/tmp/scwrl_2124520515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2124520515.pdb Number of alignments=1054 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAK 3jq0A 340 :FRNNDTRWTTSLKAVYKK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDAS 3jq0A 358 :DAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEE T0532 370 :KKAIRAHMEFIASNTPDEEVYHHGHPITEEAI 3jq0A 417 :INAVRERAYGSKYFNEHKAEIAYPNDNDPEFY T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 449 :TDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVL 3jq0A 476 :EGKRWYDIRLLGWDYV T0532 461 :TMNDRLPMRWMYPKSESDYNL 3jq0A 495 :SSAEQSRLLWPIDAGTLTNNS Number of specific fragments extracted= 12 number of extra gaps= 0 total=15519 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1117938899.pdb -s /var/tmp/to_scwrl_1117938899.seq -o /var/tmp/from_scwrl_1117938899.pdb > /var/tmp/scwrl_1117938899.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1117938899.pdb Number of alignments=1055 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFD 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFK T0532 184 :GGSISKWKKATTAFQLKVLMHLS 3jq0A 206 :LGRHFWSAAATQMLKGEAYLWSG T0532 207 :KKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 231 :MNGGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKAK 3jq0A 340 :FRNNDTRWTTSLKAVYKK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jq0A 358 :DAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGED T0532 365 :ASAYYKKAIRAHME 3jq0A 413 :PTEEINAVRERAYG T0532 379 :FIASNTPDEEVYHH 3jq0A 429 :YFNEHKAEIAYPND T0532 396 :ITEEAIAAFLETPAIQLS 3jq0A 443 :NDPEFYTDNKWMKPDNAG T0532 419 :DIEKILTQRYLASFM 3jq0A 461 :ALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGY 3jq0A 476 :EGKRWYDIRLLGW T0532 461 :TMNDRLPMRWMYPKSESDYN 3jq0A 495 :SSAEQSRLLWPIDAGTLTNN Number of specific fragments extracted= 14 number of extra gaps= 0 total=15533 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2034973358.pdb -s /var/tmp/to_scwrl_2034973358.seq -o /var/tmp/from_scwrl_2034973358.pdb > /var/tmp/scwrl_2034973358.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2034973358.pdb Number of alignments=1056 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRL T0532 273 :KATGDIRMFYYAKPAKA 3jq0A 340 :FRNNDTRWTTSLKAVYK T0532 307 :DPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 357 :KDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHPI 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPNDN T0532 402 :AAFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 444 :DPEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNL 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNS Number of specific fragments extracted= 12 number of extra gaps= 0 total=15545 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1913506456.pdb -s /var/tmp/to_scwrl_1913506456.seq -o /var/tmp/from_scwrl_1913506456.pdb > /var/tmp/scwrl_1913506456.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1913506456.pdb Number of alignments=1057 # 3jq0A read from all-align.a2m # found chain 3jq0A in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3jq0A)W37 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq0A)K175 Warning: unaligning (T0532)P148 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq0A)K175 T0532 33 :TTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq0A 38 :KNPDQFTAFNTGLHALLREKSYNFFLLGEPRADIYG T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq0A 86 :ERLPFNTINKENVGISNYGDMYKIINQINQMIAKT T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jq0A 127 :TEATQNYYLGEAYGMRAYLYFHLLRSWGDVVLYLDYT T0532 149 :KYNTQKEVMNFILSDLETAYELFSTAKDFDG 3jq0A 176 :GVSPATEVMEQIKKDIQASENAFGSDYSFKL T0532 185 :GSISKWKKATTAFQLKVLMHLSKK 3jq0A 207 :GRHFWSAAATQMLKGEAYLWSGRQ T0532 209 :ESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq0A 233 :GGNSDYTIAKNAFENVKKADVGLVTSSFKDIFSFENKKNKEMIFTIHNGKDEYEMWGGYYRMRLIPAQDKMVKIYCDENGNSFVGTPDAQLNG T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq0A 352 :KAVYKKDAQGVVSYFGPITYKFQGTMLEGGSTRSFLDDFPIYRYADCLLQLAMAKVLLGEDPTEEI T0532 371 :KAIRAHMEFIASNTPDEEVYHHGHPIT 3jq0A 418 :NAVRERAYGSKYFNEHKAEIAYPNDND T0532 403 :AFLETPAIQLSGEKEADIEKILTQRYLASFM 3jq0A 445 :PEFYTDNKWMKPDNAGALEAILKERLREFMF T0532 436 :PYDVYYDYRRTGYPVLP 3jq0A 476 :EGKRWYDIRLLGWDYVH T0532 459 :RNTMNDRLPMRWMYPKSESDYNLE 3jq0A 493 :QYSSAEQSRLLWPIDAGTLTNNSA Number of specific fragments extracted= 11 number of extra gaps= 0 total=15556 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1293015072.pdb -s /var/tmp/to_scwrl_1293015072.seq -o /var/tmp/from_scwrl_1293015072.pdb > /var/tmp/scwrl_1293015072.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1293015072.pdb Number of alignments=1058 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)E25 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)W503 because last residue in template chain is (3jq1A)W513 T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDISDVYTVNRFTNSNTN T0532 90 :YTTLINAQKMVES 3jq1A 112 :YNALYRTNSIMQK T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFS 3jq1A 132 :FSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLP T0532 180 :DPILGGSISKW 3jq1A 202 :ITNKIGKPTQG T0532 193 :ATTAFQLKVLMH 3jq1A 213 :AAYAALGKIYVY T0532 209 :ESDAD 3jq1A 225 :EENWQ T0532 215 :KVKERFARIVASG 3jq1A 230 :EAINVLEPLTQNP T0532 228 :SLMESNEDNLQMKYAD 3jq1A 246 :KLVEDFNWNFDDTHEN T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKLNEGVTAD 3jq1A 330 :DYRARCSVAWDYEGCTYYQRPF T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGE 3jq1A 352 :REVFAQDKWKTYWILKYQNWKTQKDEPAPPK T0532 339 :PVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3jq1A 386 :NERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRA T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFMQH 3jq1A 424 :NLNDYSGPITKEGVFEDLVHQRAIEFFVEG T0532 438 :DVYYDYRRTGYPVLPINPATNRNTMNDRL 3jq1A 454 :ERFYDLRRWGLLEQTLKTCDDTRYKNYQT T0532 467 :PMRWMYPKSESDYNL 3jq1A 489 :NKFNYFPIPAKELDT T0532 485 :NEALERQFG 3jq1A 504 :NPLCTPSEG Number of specific fragments extracted= 17 number of extra gaps= 1 total=15573 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1714083629.pdb -s /var/tmp/to_scwrl_1714083629.seq -o /var/tmp/from_scwrl_1714083629.pdb > /var/tmp/scwrl_1714083629.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1714083629.pdb Number of alignments=1059 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)E25 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)W503 because last residue in template chain is (3jq1A)W513 T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDISDVYTVNRFTN T0532 86 :GF 3jq1A 102 :SL T0532 88 :GGYTTLINAQKMVES 3jq1A 110 :QFYNALYRTNSIMQK T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFS 3jq1A 132 :FSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLP T0532 180 :DPILGGSISKW 3jq1A 202 :ITNKIGKPTQG T0532 193 :ATTAFQLKVLMH 3jq1A 213 :AAYAALGKIYVY T0532 210 :SDA 3jq1A 226 :ENW T0532 215 :KVKERFARIVASG 3jq1A 230 :EAINVLEPLTQNP T0532 228 :SLMESNEDNLQMKYAD 3jq1A 246 :KLVEDFNWNFDDTHEN T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKLNEGVTAD 3jq1A 330 :DYRARCSVAWDYEGCTYYQRPF T0532 314 :QIEKA 3jq1A 358 :DKWKT T0532 319 :YATEQYSGFNARYTDYP 3jq1A 368 :YQNWKTQKDEPAPPKSF T0532 338 :EPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3jq1A 385 :INERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRA T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFMQH 3jq1A 424 :NLNDYSGPITKEGVFEDLVHQRAIEFFVEG T0532 438 :DVYYDYRRTGYPVLPINPATNRNTMNDRL 3jq1A 454 :ERFYDLRRWGLLEQTLKTCDDTRYKNYQT T0532 467 :PMRWMYPKSESDYNL 3jq1A 489 :NKFNYFPIPAKELDT T0532 485 :NEALERQFG 3jq1A 504 :NPLCTPSEG Number of specific fragments extracted= 19 number of extra gaps= 1 total=15592 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_71881659.pdb -s /var/tmp/to_scwrl_71881659.seq -o /var/tmp/from_scwrl_71881659.pdb > /var/tmp/scwrl_71881659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71881659.pdb Number of alignments=1060 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)E25 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDISDVYTVNRFTNSNTN T0532 90 :YTTLINAQKMVES 3jq1A 112 :YNALYRTNSIMQK T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFS 3jq1A 132 :FSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLP T0532 180 :DPILGGSISKW 3jq1A 202 :ITNKIGKPTQG T0532 193 :ATTAFQLKVLMH 3jq1A 213 :AAYAALGKIYVY T0532 209 :ESDAD 3jq1A 225 :EENWQ T0532 215 :KVKERFARIVASG 3jq1A 230 :EAINVLEPLTQNP T0532 228 :SLMESNEDNLQMKYAD 3jq1A 246 :KLVEDFNWNFDDTHEN T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKLNEGVTAD 3jq1A 330 :DYRARCSVAWDYEGCTYYQRPF T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGE 3jq1A 352 :REVFAQDKWKTYWILKYQNWKTQKDEPAPPK T0532 339 :PVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3jq1A 386 :NERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRA T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFMQH 3jq1A 424 :NLNDYSGPITKEGVFEDLVHQRAIEFFVEG T0532 438 :DVYYDYRRTGYPVLPINPATNRNTMNDRL 3jq1A 454 :ERFYDLRRWGLLEQTLKTCDDTRYKNYQT T0532 467 :PMRWMYPKSESDYNL 3jq1A 489 :NKFNYFPIPAKELDT T0532 485 :NEALERQFG 3jq1A 504 :NPLCTPSEG Number of specific fragments extracted= 17 number of extra gaps= 1 total=15609 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_684044146.pdb -s /var/tmp/to_scwrl_684044146.seq -o /var/tmp/from_scwrl_684044146.pdb > /var/tmp/scwrl_684044146.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_684044146.pdb Number of alignments=1061 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 T0532 26 :INTDPDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDISDVYTVNRFTN T0532 86 :GF 3jq1A 102 :SL T0532 88 :GGYTTLINAQKMVES 3jq1A 110 :QFYNALYRTNSIMQK T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFS 3jq1A 132 :FSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLP T0532 180 :DPILGGSISKW 3jq1A 202 :ITNKIGKPTQG T0532 193 :ATTAFQLKVLMH 3jq1A 213 :AAYAALGKIYVY T0532 210 :SDA 3jq1A 226 :ENW T0532 215 :KVKERFARIVASG 3jq1A 230 :EAINVLEPLTQNP T0532 228 :SLMESNEDNLQMKYAD 3jq1A 246 :KLVEDFNWNFDDTHEN T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKLNEGVTAD 3jq1A 330 :DYRARCSVAWDYEGCTYYQRPF T0532 314 :QIEKA 3jq1A 358 :DKWKT T0532 319 :YATEQYSGFNARYTDYP 3jq1A 368 :YQNWKTQKDEPAPPKSF T0532 338 :EPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3jq1A 385 :INERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRA T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFMQH 3jq1A 424 :NLNDYSGPITKEGVFEDLVHQRAIEFFVEG T0532 438 :DVYYDYRRTGYPVLPINPATNRNTMNDRL 3jq1A 454 :ERFYDLRRWGLLEQTLKTCDDTRYKNYQT T0532 467 :PMRWMYPKSESDYNL 3jq1A 489 :NKFNYFPIPAKELDT Number of specific fragments extracted= 18 number of extra gaps= 1 total=15627 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1887517301.pdb -s /var/tmp/to_scwrl_1887517301.seq -o /var/tmp/from_scwrl_1887517301.pdb > /var/tmp/scwrl_1887517301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1887517301.pdb Number of alignments=1062 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)A245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)F251 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 T0532 1 :MKRINKYISLLLATALLASCDKFDEIN 3jq1A 39 :WKDETDFNLALTSCYTPLKNALNGGYY T0532 28 :TDPDATTKVTSS 3jq1A 71 :MLRIARADEVDF T0532 50 :TSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGR 3jq1A 83 :RNDISDVYTVNRFTNSNTNSLTQGMFYQFYNALYR T0532 90 :YTTLINAQKMVE 3jq1A 118 :TNSIMQKLEEKK T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 131 :QFSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHL 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYE T0532 211 :DADLKVKERFARIVAS 3jq1A 226 :ENWQEAINVLEPLTQN T0532 227 :GSLMESNEDNLQMKYADK 3jq1A 256 :DDTHENNAESIFELLIED T0532 263 :MLSTMLIDKFKATGDIRMFYY 3jq1A 300 :AAEVGGWYEANPTQQIMDIFW T0532 284 :AKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFN 3jq1A 328 :NFDYRARCSVAWDYEGCTYYQRPFREVFAQDKWKTYWILKYQNWK T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3jq1A 376 :DEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRAN T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3jq1A 425 :LNDYSGPITKEGVFEDLVHQRAIEFFVE T0532 437 :YDVYYDYRRTGYPVLPINPATNRN 3jq1A 453 :GERFYDLRRWGLLEQTLKTCDDTR T0532 485 :NEALERQFGGVDDVNKLMWILQ 3jq1A 477 :YKNYQTGKSDNINKFNYFPIPA Number of specific fragments extracted= 14 number of extra gaps= 0 total=15641 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_285982238.pdb -s /var/tmp/to_scwrl_285982238.seq -o /var/tmp/from_scwrl_285982238.pdb > /var/tmp/scwrl_285982238.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_285982238.pdb Number of alignments=1063 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)A245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)H252 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 T0532 1 :MKRINKYISLLLATALLASCDK 3jq1A 39 :WKDETDFNLALTSCYTPLKNAL T0532 36 :VTSS 3jq1A 70 :VMLR T0532 50 :TSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3jq1A 83 :RNDISDVYTVNRFTNSNTNSLTQGMFYQFYNALYRT T0532 91 :TTLINAQKMVE 3jq1A 119 :NSIMQKLEEKK T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 131 :QFSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHL 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYE T0532 212 :ADLKVKERFARIVAS 3jq1A 227 :NWQEAINVLEPLTQN T0532 227 :GSLMESNEDNLQMKYA 3jq1A 245 :YKLVEDFNWNFDDTHE T0532 243 :DK 3jq1A 272 :ED T0532 253 :NTNTKHAGYAMLSTMLIDKFK 3jq1A 300 :AAEVGGWYEANPTQQIMDIFW T0532 275 :TGDIRMFYYAKPAKAKLNEGVTADSWDAY 3jq1A 328 :NFDYRARCSVAWDYEGCTYYQRPFREVFA T0532 321 :TEQYSGFN 3jq1A 357 :QDKWKTYW T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3jq1A 376 :DEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRAN T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3jq1A 425 :LNDYSGPITKEGVFEDLVHQRAIEFFVE T0532 437 :YDVYYDYRRTGYPVLPINPATNRN 3jq1A 453 :GERFYDLRRWGLLEQTLKTCDDTR T0532 486 :EALERQFGGVDDVNKLMWILQ 3jq1A 478 :KNYQTGKSDNINKFNYFPIPA Number of specific fragments extracted= 16 number of extra gaps= 0 total=15657 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1432923508.pdb -s /var/tmp/to_scwrl_1432923508.seq -o /var/tmp/from_scwrl_1432923508.pdb > /var/tmp/scwrl_1432923508.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1432923508.pdb Number of alignments=1064 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)A245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)F251 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 T0532 92 :TLINAQKMVE 3jq1A 120 :SIMQKLEEKK T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 131 :QFSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHL 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYE T0532 211 :DADLKVKERFARIVAS 3jq1A 226 :ENWQEAINVLEPLTQN T0532 227 :GSLMESNEDNLQMKYADK 3jq1A 256 :DDTHENNAESIFELLIED T0532 263 :MLSTMLIDKFKATGDIRMFYY 3jq1A 300 :AAEVGGWYEANPTQQIMDIFW T0532 284 :AKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYATEQYSGFN 3jq1A 328 :NFDYRARCSVAWDYEGCTYYQRPFREVFAQDKWKTYWILKYQNWK T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3jq1A 376 :DEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRAN T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3jq1A 425 :LNDYSGPITKEGVFEDLVHQRAIEFFVE T0532 437 :YDVYYDYRRTGYPVLPIN 3jq1A 453 :GERFYDLRRWGLLEQTLK T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYN 3jq1A 479 :NYQTGKSDNINKFNYFPIPAKELDTN Number of specific fragments extracted= 11 number of extra gaps= 0 total=15668 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1793701105.pdb -s /var/tmp/to_scwrl_1793701105.seq -o /var/tmp/from_scwrl_1793701105.pdb > /var/tmp/scwrl_1793701105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793701105.pdb Number of alignments=1065 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)A245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)H252 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 T0532 92 :TLINAQKMVE 3jq1A 120 :SIMQKLEEKK T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 131 :QFSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHL 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYE T0532 212 :ADLKVKERFARIVAS 3jq1A 227 :NWQEAINVLEPLTQN T0532 227 :GSLMESNEDNLQMKYA 3jq1A 245 :YKLVEDFNWNFDDTHE T0532 243 :DK 3jq1A 272 :ED T0532 253 :NTNTKHAGYAMLSTMLIDKFK 3jq1A 300 :AAEVGGWYEANPTQQIMDIFW T0532 275 :TGDIRMFYYAKPAKAKLNEGVTADSWDAY 3jq1A 328 :NFDYRARCSVAWDYEGCTYYQRPFREVFA T0532 321 :TEQYSGFN 3jq1A 357 :QDKWKTYW T0532 329 :ARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHM 3jq1A 376 :DEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRAN T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFMQ 3jq1A 425 :LNDYSGPITKEGVFEDLVHQRAIEFFVE T0532 437 :YDVYYDYRRTGYPVLPINPA 3jq1A 453 :GERFYDLRRWGLLEQTLKTC T0532 457 :TNRNTMNDRLPMRWMYPKSES 3jq1A 481 :QTGKSDNINKFNYFPIPAKEL Number of specific fragments extracted= 13 number of extra gaps= 0 total=15681 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1228923159.pdb -s /var/tmp/to_scwrl_1228923159.seq -o /var/tmp/from_scwrl_1228923159.pdb > /var/tmp/scwrl_1228923159.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1228923159.pdb Number of alignments=1066 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set T0532 101 :ESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLP 3jq1A 130 :EQFSTDFQNSVKGECLFIRGFYLFQLAKEFKDAP Number of specific fragments extracted= 1 number of extra gaps= 0 total=15682 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1687032095.pdb -s /var/tmp/to_scwrl_1687032095.seq -o /var/tmp/from_scwrl_1687032095.pdb > /var/tmp/scwrl_1687032095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1687032095.pdb Number of alignments=1067 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set T0532 99 :MVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 128 :KKEQFSTDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK Number of specific fragments extracted= 1 number of extra gaps= 0 total=15683 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1964794261.pdb -s /var/tmp/to_scwrl_1964794261.seq -o /var/tmp/from_scwrl_1964794261.pdb > /var/tmp/scwrl_1964794261.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1964794261.pdb Number of alignments=1068 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15703 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2072334835.pdb -s /var/tmp/to_scwrl_2072334835.seq -o /var/tmp/from_scwrl_2072334835.pdb > /var/tmp/scwrl_2072334835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2072334835.pdb Number of alignments=1069 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15723 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_155802765.pdb -s /var/tmp/to_scwrl_155802765.seq -o /var/tmp/from_scwrl_155802765.pdb > /var/tmp/scwrl_155802765.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_155802765.pdb Number of alignments=1070 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15743 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1534566094.pdb -s /var/tmp/to_scwrl_1534566094.seq -o /var/tmp/from_scwrl_1534566094.pdb > /var/tmp/scwrl_1534566094.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1534566094.pdb Number of alignments=1071 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15763 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_17246202.pdb -s /var/tmp/to_scwrl_17246202.seq -o /var/tmp/from_scwrl_17246202.pdb > /var/tmp/scwrl_17246202.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_17246202.pdb Number of alignments=1072 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDI T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKLN 3jq1A 330 :DYRARCSVAWDYEGCT T0532 301 :DAYIGTDPSLPFE 3jq1A 346 :YYQRPFREVFAQD T0532 315 :IEKAYATEQYSGFNAR 3jq1A 359 :KWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 454 :NPATNRNTMNDR 3jq1A 476 :RYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15783 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_471137997.pdb -s /var/tmp/to_scwrl_471137997.seq -o /var/tmp/from_scwrl_471137997.pdb > /var/tmp/scwrl_471137997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_471137997.pdb Number of alignments=1073 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDI T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 459 :RNTMNDR 3jq1A 481 :QTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 19 number of extra gaps= 1 total=15802 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1403239612.pdb -s /var/tmp/to_scwrl_1403239612.seq -o /var/tmp/from_scwrl_1403239612.pdb > /var/tmp/scwrl_1403239612.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1403239612.pdb Number of alignments=1074 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 455 :PATNRNTMNDR 3jq1A 477 :YKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15822 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_375414022.pdb -s /var/tmp/to_scwrl_375414022.seq -o /var/tmp/from_scwrl_375414022.pdb > /var/tmp/scwrl_375414022.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_375414022.pdb Number of alignments=1075 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15842 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_441362288.pdb -s /var/tmp/to_scwrl_441362288.seq -o /var/tmp/from_scwrl_441362288.pdb > /var/tmp/scwrl_441362288.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_441362288.pdb Number of alignments=1076 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 455 :PATNRNTMNDR 3jq1A 477 :YKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15862 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_404411746.pdb -s /var/tmp/to_scwrl_404411746.seq -o /var/tmp/from_scwrl_404411746.pdb > /var/tmp/scwrl_404411746.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_404411746.pdb Number of alignments=1077 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRM 3jq1A 330 :DYRA T0532 281 :FYYAKPAKAKLNEGV 3jq1A 336 :SVAWDYEGCTYYQRP T0532 310 :LPFEQI 3jq1A 355 :FAQDKW T0532 317 :KAYATEQYSGFNAR 3jq1A 361 :KTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHPY 3jq1A 451 :VEGE T0532 439 :VYYDYRRTGY 3jq1A 455 :RFYDLRRWGL T0532 458 :NRNTMNDR 3jq1A 480 :YQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 22 number of extra gaps= 1 total=15884 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2012964463.pdb -s /var/tmp/to_scwrl_2012964463.seq -o /var/tmp/from_scwrl_2012964463.pdb > /var/tmp/scwrl_2012964463.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2012964463.pdb Number of alignments=1078 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 458 :NRNTMNDR 3jq1A 480 :YQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15904 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_495023435.pdb -s /var/tmp/to_scwrl_495023435.seq -o /var/tmp/from_scwrl_495023435.pdb > /var/tmp/scwrl_495023435.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_495023435.pdb Number of alignments=1079 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQ 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVY T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 464 :DR 3jq1A 486 :DN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15924 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1995253089.pdb -s /var/tmp/to_scwrl_1995253089.seq -o /var/tmp/from_scwrl_1995253089.pdb > /var/tmp/scwrl_1995253089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1995253089.pdb Number of alignments=1080 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15944 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1216439062.pdb -s /var/tmp/to_scwrl_1216439062.seq -o /var/tmp/from_scwrl_1216439062.pdb > /var/tmp/scwrl_1216439062.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1216439062.pdb Number of alignments=1081 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15964 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1389381517.pdb -s /var/tmp/to_scwrl_1389381517.seq -o /var/tmp/from_scwrl_1389381517.pdb > /var/tmp/scwrl_1389381517.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1389381517.pdb Number of alignments=1082 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=15984 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1191309446.pdb -s /var/tmp/to_scwrl_1191309446.seq -o /var/tmp/from_scwrl_1191309446.pdb > /var/tmp/scwrl_1191309446.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1191309446.pdb Number of alignments=1083 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=16004 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_370281973.pdb -s /var/tmp/to_scwrl_370281973.seq -o /var/tmp/from_scwrl_370281973.pdb > /var/tmp/scwrl_370281973.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_370281973.pdb Number of alignments=1084 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDI T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKLN 3jq1A 330 :DYRARCSVAWDYEGCT T0532 301 :DAYIGTDPSLPFE 3jq1A 346 :YYQRPFREVFAQD T0532 315 :IEKAYATEQYSGFNAR 3jq1A 359 :KWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 454 :NPATNRNTMNDR 3jq1A 476 :RYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=16024 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1366418386.pdb -s /var/tmp/to_scwrl_1366418386.seq -o /var/tmp/from_scwrl_1366418386.pdb > /var/tmp/scwrl_1366418386.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1366418386.pdb Number of alignments=1085 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIARADEVDFRNDI T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 459 :RNTMNDR 3jq1A 481 :QTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 19 number of extra gaps= 1 total=16043 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_161764700.pdb -s /var/tmp/to_scwrl_161764700.seq -o /var/tmp/from_scwrl_161764700.pdb > /var/tmp/scwrl_161764700.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_161764700.pdb Number of alignments=1086 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 455 :PATNRNTMNDR 3jq1A 477 :YKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=16063 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_257771685.pdb -s /var/tmp/to_scwrl_257771685.seq -o /var/tmp/from_scwrl_257771685.pdb > /var/tmp/scwrl_257771685.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_257771685.pdb Number of alignments=1087 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 453 :INPATNRNTMNDR 3jq1A 475 :TRYKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=16083 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1132441195.pdb -s /var/tmp/to_scwrl_1132441195.seq -o /var/tmp/from_scwrl_1132441195.pdb > /var/tmp/scwrl_1132441195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1132441195.pdb Number of alignments=1088 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 455 :PATNRNTMNDR 3jq1A 477 :YKNYQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=16103 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1454779772.pdb -s /var/tmp/to_scwrl_1454779772.seq -o /var/tmp/from_scwrl_1454779772.pdb > /var/tmp/scwrl_1454779772.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1454779772.pdb Number of alignments=1089 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRM 3jq1A 330 :DYRA T0532 281 :FYYAKPAKAKLNEGV 3jq1A 336 :SVAWDYEGCTYYQRP T0532 310 :LPFEQI 3jq1A 355 :FAQDKW T0532 317 :KAYATEQYSGFNAR 3jq1A 361 :KTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHPY 3jq1A 451 :VEGE T0532 439 :VYYDYRRTGY 3jq1A 455 :RFYDLRRWGL T0532 458 :NRNTMNDR 3jq1A 480 :YQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 22 number of extra gaps= 1 total=16125 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1971855314.pdb -s /var/tmp/to_scwrl_1971855314.seq -o /var/tmp/from_scwrl_1971855314.pdb > /var/tmp/scwrl_1971855314.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971855314.pdb Number of alignments=1090 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVYT T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 458 :NRNTMNDR 3jq1A 480 :YQTGKSDN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=16145 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1204322854.pdb -s /var/tmp/to_scwrl_1204322854.seq -o /var/tmp/from_scwrl_1204322854.pdb > /var/tmp/scwrl_1204322854.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1204322854.pdb Number of alignments=1091 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)E489 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDIT 3jq1A 38 :FWKDETDFNLALTSCYTPLK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQ 3jq1A 63 :GYYGTRGVMLRIARADEVDFRNDISDVY T0532 80 :NVFGRSGFGG 3jq1A 101 :NSLTQGMFYQ T0532 90 :YTTLINAQKMVESV 3jq1A 112 :YNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 184 :GGSISK 3jq1A 206 :IGKPTQ T0532 192 :KATTAFQLKVLMHLSKKES 3jq1A 212 :GAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASG 3jq1A 231 :AINVLEPLTQNP T0532 228 :SLMESNEDNL 3jq1A 246 :KLVEDFNWNF T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIFWKEK T0532 277 :DIRMFYYAKPAKAKL 3jq1A 330 :DYRARCSVAWDYEGC T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYSGFNAR 3jq1A 345 :TYYQRPFREVFAQDKWKTYWILKYQNWKTQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3jq1A 378 :PAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQ T0532 373 :IRAHMEFIASNT 3jq1A 419 :IRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASF 3jq1A 431 :PITKEGVFEDLVHQRAIEFF T0532 434 :QHP 3jq1A 451 :VEG T0532 438 :DVYYDYRRTGYPVLP 3jq1A 454 :ERFYDLRRWGLLEQT T0532 464 :DR 3jq1A 486 :DN T0532 466 :LPMRWMYPKSESDYNLEHQNEAL 3jq1A 490 :KFNYFPIPAKELDTNPLCTPSEG Number of specific fragments extracted= 20 number of extra gaps= 1 total=16165 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2138823918.pdb -s /var/tmp/to_scwrl_2138823918.seq -o /var/tmp/from_scwrl_2138823918.pdb > /var/tmp/scwrl_2138823918.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2138823918.pdb Number of alignments=1092 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 214 :LKVKERFAR 3jq1A 232 :INVLEPLTQ T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 241 :NPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWDA 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREVF T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 356 :AQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNPLCTP T0532 500 :KLM 3jq1A 510 :SEG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16178 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1711888968.pdb -s /var/tmp/to_scwrl_1711888968.seq -o /var/tmp/from_scwrl_1711888968.pdb > /var/tmp/scwrl_1711888968.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1711888968.pdb Number of alignments=1093 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)G227 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)N233 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 213 :DLKVKERFAR 3jq1A 263 :AESIFELLIE T0532 226 :S 3jq1A 273 :D T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIF T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIASNT 3jq1A 415 :YINQIRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASFM 3jq1A 431 :PITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP T0532 497 :DVNKLMW 3jq1A 506 :LCTPSEG Number of specific fragments extracted= 15 number of extra gaps= 1 total=16193 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1490305092.pdb -s /var/tmp/to_scwrl_1490305092.seq -o /var/tmp/from_scwrl_1490305092.pdb > /var/tmp/scwrl_1490305092.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1490305092.pdb Number of alignments=1094 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3jq1A 243 :YTYKLVEDFNWNFDDTHENNAESIFEL T0532 255 :NTKH 3jq1A 270 :LIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNPLCTPS T0532 501 :LM 3jq1A 511 :EG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16206 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1424263779.pdb -s /var/tmp/to_scwrl_1424263779.seq -o /var/tmp/from_scwrl_1424263779.pdb > /var/tmp/scwrl_1424263779.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1424263779.pdb Number of alignments=1095 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3jq1A 233 :NVLEPLTQNPYTYKLVEDFNWNFDDTHENNAESIFEL T0532 255 :NTKH 3jq1A 270 :LIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP T0532 497 :DVNKLMW 3jq1A 506 :LCTPSEG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16219 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1358106427.pdb -s /var/tmp/to_scwrl_1358106427.seq -o /var/tmp/from_scwrl_1358106427.pdb > /var/tmp/scwrl_1358106427.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1358106427.pdb Number of alignments=1096 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLK 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAINVL T0532 218 :ERF 3jq1A 236 :EPL T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 239 :TQNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 358 :DKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 459 :RNTMNDRLPMRWMYPKSESDYNL 3jq1A 483 :GKSDNINKFNYFPIPAKELDTNP T0532 502 :M 3jq1A 512 :G Number of specific fragments extracted= 13 number of extra gaps= 0 total=16232 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_571744605.pdb -s /var/tmp/to_scwrl_571744605.seq -o /var/tmp/from_scwrl_571744605.pdb > /var/tmp/scwrl_571744605.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_571744605.pdb Number of alignments=1097 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 218 :ERFARIV 3jq1A 232 :INVLEPL T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNPL T0532 498 :VNKLMW 3jq1A 507 :CTPSEG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16245 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_963812228.pdb -s /var/tmp/to_scwrl_963812228.seq -o /var/tmp/from_scwrl_963812228.pdb > /var/tmp/scwrl_963812228.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_963812228.pdb Number of alignments=1098 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 215 :KVKERFARI 3jq1A 233 :NVLEPLTQN T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 242 :PYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP T0532 497 :DVNKLMW 3jq1A 506 :LCTPSEG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16258 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1175417041.pdb -s /var/tmp/to_scwrl_1175417041.seq -o /var/tmp/from_scwrl_1175417041.pdb > /var/tmp/scwrl_1175417041.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1175417041.pdb Number of alignments=1099 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 214 :LKVKERFAR 3jq1A 232 :INVLEPLTQ T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 241 :NPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTA 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRP T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 351 :FREVFAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIA 3jq1A 415 :YINQIRRRANLND T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3jq1A 428 :YSGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNPLCT T0532 499 :NKLM 3jq1A 509 :PSEG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16271 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_496595793.pdb -s /var/tmp/to_scwrl_496595793.seq -o /var/tmp/from_scwrl_496595793.pdb > /var/tmp/scwrl_496595793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_496595793.pdb Number of alignments=1100 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKE 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQ T0532 216 :VKERFARIV 3jq1A 230 :EAINVLEPL T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWDAY 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREVFA T0532 310 :LPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 357 :QDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP T0532 498 :VNKLMW 3jq1A 507 :CTPSEG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16284 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1119614993.pdb -s /var/tmp/to_scwrl_1119614993.seq -o /var/tmp/from_scwrl_1119614993.pdb > /var/tmp/scwrl_1119614993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1119614993.pdb Number of alignments=1101 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)N499 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 186 :SISKWKKATTAFQLKVLMHLSKKES 3jq1A 206 :IGKPTQGAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 231 :AINVLEPLTQNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGV 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQ T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3jq1A 349 :RPFREVFAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRA T0532 378 :E 3jq1A 424 :N T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq1A 425 :LNDYSGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP T0532 494 :GVDDV 3jq1A 508 :TPSEG Number of specific fragments extracted= 12 number of extra gaps= 0 total=16296 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_562499490.pdb -s /var/tmp/to_scwrl_562499490.seq -o /var/tmp/from_scwrl_562499490.pdb > /var/tmp/scwrl_562499490.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_562499490.pdb Number of alignments=1102 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP T0532 498 :VNKLMW 3jq1A 507 :CTPSEG Number of specific fragments extracted= 12 number of extra gaps= 0 total=16308 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_513841996.pdb -s /var/tmp/to_scwrl_513841996.seq -o /var/tmp/from_scwrl_513841996.pdb > /var/tmp/scwrl_513841996.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513841996.pdb Number of alignments=1103 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)I504 because last residue in template chain is (3jq1A)W513 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 218 :ERFARIV 3jq1A 232 :INVLEPL T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 463 :NDRLPMRWMYPKSESDYNL 3jq1A 487 :NINKFNYFPIPAKELDTNP T0532 497 :DVNKLMW 3jq1A 506 :LCTPSEG Number of specific fragments extracted= 13 number of extra gaps= 0 total=16321 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1590752990.pdb -s /var/tmp/to_scwrl_1590752990.seq -o /var/tmp/from_scwrl_1590752990.pdb > /var/tmp/scwrl_1590752990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1590752990.pdb Number of alignments=1104 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 214 :LKVKERFAR 3jq1A 232 :INVLEPLTQ T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 241 :NPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWDA 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREVF T0532 309 :SLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 356 :AQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16333 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1965739102.pdb -s /var/tmp/to_scwrl_1965739102.seq -o /var/tmp/from_scwrl_1965739102.pdb > /var/tmp/scwrl_1965739102.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1965739102.pdb Number of alignments=1105 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)G227 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)N233 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 Warning: unaligning (T0532)K244 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)S291 Warning: unaligning (T0532)T247 because of BadResidue code BAD_PEPTIDE in next template residue (3jq1A)P295 Warning: unaligning (T0532)V248 because of BadResidue code BAD_PEPTIDE at template residue (3jq1A)P295 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 213 :DLKVKERFAR 3jq1A 263 :AESIFELLIE T0532 226 :S 3jq1A 273 :D T0532 245 :AN 3jq1A 292 :NT T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3jq1A 296 :KEYAAAEVGGWYEANPTQQIMDIF T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIASNT 3jq1A 415 :YINQIRRRANLNDYSG T0532 413 :SGEKEADIEKILTQRYLASFM 3jq1A 431 :PITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 14 number of extra gaps= 1 total=16347 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_889256018.pdb -s /var/tmp/to_scwrl_889256018.seq -o /var/tmp/from_scwrl_889256018.pdb > /var/tmp/scwrl_889256018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_889256018.pdb Number of alignments=1106 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3jq1A 243 :YTYKLVEDFNWNFDDTHENNAESIFEL T0532 255 :NTKH 3jq1A 270 :LIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16359 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2032115278.pdb -s /var/tmp/to_scwrl_2032115278.seq -o /var/tmp/from_scwrl_2032115278.pdb > /var/tmp/scwrl_2032115278.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2032115278.pdb Number of alignments=1107 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3jq1A 233 :NVLEPLTQNPYTYKLVEDFNWNFDDTHENNAESIFEL T0532 255 :NTKH 3jq1A 270 :LIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16371 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_222667201.pdb -s /var/tmp/to_scwrl_222667201.seq -o /var/tmp/from_scwrl_222667201.pdb > /var/tmp/scwrl_222667201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_222667201.pdb Number of alignments=1108 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLK 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAINVL T0532 218 :ERF 3jq1A 236 :EPL T0532 224 :VASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 239 :TQNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 311 :PFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 358 :DKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 459 :RNTMNDRLPMRWMYPKSESDYNL 3jq1A 483 :GKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16383 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_754736834.pdb -s /var/tmp/to_scwrl_754736834.seq -o /var/tmp/from_scwrl_754736834.pdb > /var/tmp/scwrl_754736834.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_754736834.pdb Number of alignments=1109 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 218 :ERFARIV 3jq1A 232 :INVLEPL T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16395 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_379655066.pdb -s /var/tmp/to_scwrl_379655066.seq -o /var/tmp/from_scwrl_379655066.pdb > /var/tmp/scwrl_379655066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_379655066.pdb Number of alignments=1110 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 215 :KVKERFARI 3jq1A 233 :NVLEPLTQN T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 242 :PYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16407 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_70436643.pdb -s /var/tmp/to_scwrl_70436643.seq -o /var/tmp/from_scwrl_70436643.pdb > /var/tmp/scwrl_70436643.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_70436643.pdb Number of alignments=1111 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 214 :LKVKERFAR 3jq1A 232 :INVLEPLTQ T0532 226 :SGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 241 :NPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTA 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRP T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 351 :FREVFAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIA 3jq1A 415 :YINQIRRRANLND T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3jq1A 428 :YSGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16419 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1971175897.pdb -s /var/tmp/to_scwrl_1971175897.seq -o /var/tmp/from_scwrl_1971175897.pdb > /var/tmp/scwrl_1971175897.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1971175897.pdb Number of alignments=1112 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKE 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQ T0532 216 :VKERFARIV 3jq1A 230 :EAINVLEPL T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWDAY 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREVFA T0532 310 :LPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 357 :QDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16431 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1769036584.pdb -s /var/tmp/to_scwrl_1769036584.seq -o /var/tmp/from_scwrl_1769036584.pdb > /var/tmp/scwrl_1769036584.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1769036584.pdb Number of alignments=1113 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPITNK T0532 186 :SISKWKKATTAFQLKVLMHLSKKES 3jq1A 206 :IGKPTQGAAYAALGKIYVYEENWQE T0532 216 :VKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 231 :AINVLEPLTQNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGV 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQ T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAH 3jq1A 349 :RPFREVFAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIGYINQIRRRA T0532 378 :E 3jq1A 424 :N T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3jq1A 425 :LNDYSGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 458 :NRNTMNDRLPMRWMYPKSESDYN 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTN Number of specific fragments extracted= 11 number of extra gaps= 0 total=16442 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1261746090.pdb -s /var/tmp/to_scwrl_1261746090.seq -o /var/tmp/from_scwrl_1261746090.pdb > /var/tmp/scwrl_1261746090.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1261746090.pdb Number of alignments=1114 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEAI T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jq1A 452 :EGERFYDLRRWGLLEQTLKTCD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3jq1A 482 :TGKSDNINKFNYFPIPAKELDTNP Number of specific fragments extracted= 11 number of extra gaps= 0 total=16453 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_193974223.pdb -s /var/tmp/to_scwrl_193974223.seq -o /var/tmp/from_scwrl_193974223.pdb > /var/tmp/scwrl_193974223.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_193974223.pdb Number of alignments=1115 # 3jq1A read from all-align.a2m # found chain 3jq1A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3jq1A)T37 Warning: unaligning (T0532)A259 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jq1A)W280 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jq1A)W280 T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3jq1A 38 :FWKDETDFNLALTSCYTPLKNALNGGYYGTRGVMLRIA T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jq1A 91 :TVNRFTNSNTNSLTQGMFYQFYNALYRTNSIMQKL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3jq1A 133 :STDFQNSVKGECLFIRGFYLFQLAKEFKDAPLRLTASQSPSTFPLAKSSQADIWAQAKEDLKTAASLLPIT T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3jq1A 204 :NKIGKPTQGAAYAALGKIYVYEENWQEA T0532 218 :ERFARIV 3jq1A 232 :INVLEPL T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPFHNTNTKH 3jq1A 240 :QNPYTYKLVEDFNWNFDDTHENNAESIFELLIED T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jq1A 326 :DGNFDYRARCSVAWDYEGCTYYQRPFREV T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASA 3jq1A 355 :FAQDKWKTYWILKYQNWKTQKDEPAPPKSFINERAIRYADVLLMLAEAYMNKGALDTSIG T0532 369 :YKKAIRAHMEFIAS 3jq1A 415 :YINQIRRRANLNDY T0532 411 :QLSGEKEADIEKILTQRYLASFM 3jq1A 429 :SGPITKEGVFEDLVHQRAIEFFV T0532 436 :PYDVYYDYRRTGYPVL 3jq1A 452 :EGERFYDLRRWGLLEQ T0532 463 :NDRLPMRWMYPKSESDYNL 3jq1A 487 :NINKFNYFPIPAKELDTNP Number of specific fragments extracted= 12 number of extra gaps= 0 total=16465 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_987971324.pdb -s /var/tmp/to_scwrl_987971324.seq -o /var/tmp/from_scwrl_987971324.pdb > /var/tmp/scwrl_987971324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_987971324.pdb Number of alignments=1116 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)T50 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)W503 because last residue in template chain is (3jysA)Y535 T0532 25 :EINTDPDATTKVTSSLL 3jysA 39 :KAYTDAESYTKGLHKIY T0532 44 :GLLLDI 3jysA 56 :SVWALS T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTEVNYMTWTTNK T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 142 :ELGL 3jysA 183 :NYSI T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 187 :EPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDADL 3jysA 225 :VASALLARMYLNAEIYTGKARY T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNLQMKYADK 3jysA 262 :QLADNYADLFKADNGEN T0532 245 :ANTVYPFHNTNTK 3jysA 307 :GARGAEDKDVLLA T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAY 3jysA 347 :EPKASEIQDKRGIFYDKGRSIDITSSV T0532 311 :PFEQIEKAYATEQYS 3jysA 374 :SGTFETEGWSVFKFS T0532 328 :NARYTDYPS 3jysA 391 :NSNGQPGKN T0532 337 :GEPVVRLGYAEQNFILAEAAVRGWI 3jysA 404 :DTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKAI 3jysA 431 :KASAVEYINALR T0532 374 :RAHMEFIA 3jysA 444 :RAYGDDKH T0532 382 :SNT 3jysA 457 :WLE T0532 416 :KEADIE 3jysA 460 :ENNFRN T0532 423 :ILTQRYLASFMQH 3jysA 466 :LLDERGRELYWEG T0532 438 :DVYYDYRRTGYPVLPINPATNR 3jysA 479 :IRRTDLVRFDLLTSGSYTWDFK T0532 460 :NTMNDRLPMRWMYP 3jysA 506 :GVGVNKRYNVYPIP T0532 476 :ESDY 3jysA 522 :DLTV T0532 485 :NEALERQFG 3jysA 526 :NGNLQQNEG Number of specific fragments extracted= 26 number of extra gaps= 2 total=16491 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1423510790.pdb -s /var/tmp/to_scwrl_1423510790.seq -o /var/tmp/from_scwrl_1423510790.pdb > /var/tmp/scwrl_1423510790.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1423510790.pdb Number of alignments=1117 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)T50 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)W503 because last residue in template chain is (3jysA)Y535 T0532 25 :EINTDPDATTKVTSSLL 3jysA 39 :KAYTDAESYTKGLHKIY T0532 44 :GLLLDI 3jysA 56 :SVWALS T0532 52 :SSASKSFIYDELLAKQMAWGESM 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWND T0532 75 :EDYQYNVFGRSGFG 3jysA 109 :NYMTWTTNKVEPIE T0532 89 :GYTTLINAQKMVESV 3jysA 128 :CMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 142 :ELGL 3jysA 183 :NYSI T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 187 :EPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDAD 3jysA 225 :VASALLARMYLNAEIYTGKAR T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNLQMKYADK 3jysA 262 :QLADNYADLFKADNGEN T0532 245 :ANTVYPFHNTNTK 3jysA 307 :GARGAEDKDVLLA T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAY 3jysA 347 :EPKASEIQDKRGIFYDKGRSIDITSSV T0532 319 :YATEQYS 3jysA 382 :WSVFKFS T0532 328 :NARYTDYPS 3jysA 391 :NSNGQPGKN T0532 337 :GEPVVRLGYAEQNFILAEAAVRGWI 3jysA 404 :DTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKAI 3jysA 431 :KASAVEYINALR T0532 374 :RAHMEFIASNT 3jysA 444 :RAYGDDKHNIS T0532 416 :KEADIE 3jysA 460 :ENNFRN T0532 423 :ILTQRYLASFMQH 3jysA 466 :LLDERGRELYWEG T0532 438 :DVYYDYRRTGYPVLPINPATNR 3jysA 479 :IRRTDLVRFDLLTSGSYTWDFK T0532 460 :NTMNDRLPMRWMYP 3jysA 506 :GVGVNKRYNVYPIP T0532 476 :ESDY 3jysA 522 :DLTV T0532 485 :NEALERQFG 3jysA 526 :NGNLQQNEG Number of specific fragments extracted= 26 number of extra gaps= 2 total=16517 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_451745908.pdb -s /var/tmp/to_scwrl_451745908.seq -o /var/tmp/from_scwrl_451745908.pdb > /var/tmp/scwrl_451745908.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_451745908.pdb Number of alignments=1118 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)T50 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 25 :EINTDPDATTKVTSSLL 3jysA 39 :KAYTDAESYTKGLHKIY T0532 44 :GLLLDI 3jysA 56 :SVWALS T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTEVNYMTWTTNK T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 142 :ELGL 3jysA 183 :NYSI T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 187 :EPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDADL 3jysA 225 :VASALLARMYLNAEIYTGKARY T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNLQMKYADK 3jysA 262 :QLADNYADLFKADNGEN T0532 245 :ANTVYPFHNTNTK 3jysA 307 :GARGAEDKDVLLA T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAY 3jysA 347 :EPKASEIQDKRGIFYDKGRSIDITSSV T0532 311 :PFEQIEKAYATEQYS 3jysA 374 :SGTFETEGWSVFKFS T0532 328 :NARYTDYPS 3jysA 391 :NSNGQPGKN T0532 337 :GEPVVRLGYAEQNFILAEAAVRGWI 3jysA 404 :DTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKAI 3jysA 431 :KASAVEYINALR T0532 374 :RAHMEFIA 3jysA 444 :RAYGDDKH T0532 382 :SNT 3jysA 457 :WLE T0532 416 :KEADIE 3jysA 460 :ENNFRN T0532 423 :ILTQRYLASFMQH 3jysA 466 :LLDERGRELYWEG T0532 438 :DVYYDYRRTGYPVLPINPATNR 3jysA 479 :IRRTDLVRFDLLTSGSYTWDFK T0532 460 :NTMNDRLPMRWMYP 3jysA 506 :GVGVNKRYNVYPIP T0532 476 :ESDYN 3jysA 522 :DLTVN Number of specific fragments extracted= 25 number of extra gaps= 2 total=16542 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2120412519.pdb -s /var/tmp/to_scwrl_2120412519.seq -o /var/tmp/from_scwrl_2120412519.pdb > /var/tmp/scwrl_2120412519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2120412519.pdb Number of alignments=1119 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)T50 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 25 :EINTDPDATTKVTSSLL 3jysA 39 :KAYTDAESYTKGLHKIY T0532 44 :GLLLDI 3jysA 56 :SVWALS T0532 52 :SSASKSFIYDELLAKQMAWGESM 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWND T0532 75 :EDYQYNVFGRSGFGG 3jysA 109 :NYMTWTTNKVEPIEG T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 142 :ELGL 3jysA 183 :NYSI T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 187 :EPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDAD 3jysA 225 :VASALLARMYLNAEIYTGKAR T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNLQMKYADK 3jysA 262 :QLADNYADLFKADNGEN T0532 245 :ANTVYPFHNTNTK 3jysA 307 :GARGAEDKDVLLA T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAY 3jysA 347 :EPKASEIQDKRGIFYDKGRSIDITSSV T0532 319 :YATEQYS 3jysA 382 :WSVFKFS T0532 328 :NARYTDYPS 3jysA 391 :NSNGQPGKN T0532 337 :GEPVVRLGYAEQNFILAEAAVRGWI 3jysA 404 :DTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKAI 3jysA 431 :KASAVEYINALR T0532 374 :RAHMEFIASNT 3jysA 444 :RAYGDDKHNIS T0532 416 :KEADIE 3jysA 460 :ENNFRN T0532 423 :ILTQRYLASFMQH 3jysA 466 :LLDERGRELYWEG T0532 438 :DVYYDYRRTGYPVLPINPATNR 3jysA 479 :IRRTDLVRFDLLTSGSYTWDFK T0532 460 :NTMNDRLPMRWMYP 3jysA 506 :GVGVNKRYNVYPIP T0532 476 :ESDYNL 3jysA 522 :DLTVNG Number of specific fragments extracted= 25 number of extra gaps= 2 total=16567 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_730806916.pdb -s /var/tmp/to_scwrl_730806916.seq -o /var/tmp/from_scwrl_730806916.pdb > /var/tmp/scwrl_730806916.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_730806916.pdb Number of alignments=1120 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)K22 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)T33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)P250 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)F251 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 T0532 1 :MKRINKYISLLLATALLASCD 3jysA 41 :YTDAESYTKGLHKIYSVWALS T0532 34 :TKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVE 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTEVNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNIPNAPE T0532 104 :SDD 3jysA 148 :SID T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jysA 151 :KESYIAQARFNRAFAYYVLMDMFALPPFITEKN T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 184 :YSIEPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARIVASG 3jysA 225 :VASALLARMYLNAEIYTGKARYTECINACNEVIKA T0532 228 :SLMESNEDNLQ 3jysA 262 :QLADNYADLFK T0532 239 :MKYADKANTVY 3jysA 277 :ENPDTKKEIIY T0532 252 :HNTN 3jysA 290 :IFDG T0532 261 :YAMLSTM 3jysA 299 :WGMAAII T0532 268 :LIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYA 3jysA 336 :LVHLFDFQNDEEPKASEIQDKRGIFYDKGRSIDITSSVSGTFETEGWSVFKFS T0532 323 :QYS 3jysA 391 :NSN T0532 327 :FNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jysA 394 :GQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKAIRAHME 3jysA 431 :KASAVEYINALRKRAYG T0532 408 :PAIQ 3jysA 448 :DDKH T0532 412 :LSGEKEADIEKILTQRYLASFMQ 3jysA 455 :ENWLEENNFRNLLDERGRELYWE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTM 3jysA 478 :GIRRTDLVRFDLLTSGSYTWDFKGGI T0532 490 :RQFGGVDDVNKLMWILQ 3jysA 504 :NTGVGVNKRYNVYPIPV Number of specific fragments extracted= 19 number of extra gaps= 2 total=16586 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_276117576.pdb -s /var/tmp/to_scwrl_276117576.seq -o /var/tmp/from_scwrl_276117576.pdb > /var/tmp/scwrl_276117576.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_276117576.pdb Number of alignments=1121 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)M239 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)K240 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)A245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y249 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 T0532 1 :MKRINKYISLLLATA 3jysA 41 :YTDAESYTKGLHKIY T0532 40 :LLATGLLLDITSSS 3jysA 86 :WTLQEQPTDEMKNA T0532 59 :IYDELLAKQMAWGESMEDYQY 3jysA 100 :WNDAWCTEVNYMTWTTNKVEP T0532 82 :FGRSGFGGYTTLINAQKMVESV 3jysA 121 :IEGVYQRCMYIVALVNEFLKNI T0532 104 :SDD 3jysA 148 :SID T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jysA 151 :KESYIAQARFNRAFAYYVLMDMFALPPFITEKN T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 184 :YSIEPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3jysA 225 :VASALLARMYLNAEIYTGKARYTECINACNEVIK T0532 227 :G 3jysA 260 :G T0532 228 :SLMESNEDNLQ 3jysA 262 :QLADNYADLFK T0532 241 :YADK 3jysA 290 :IFDG T0532 250 :PFHNTN 3jysA 318 :LAHSGV T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIG 3jysA 326 :GWAGFRATSNLVHLFDFQNDEEPKASEIQDKRGIFYDKGRSIDITSSV T0532 311 :PFEQIEKAYATEQYS 3jysA 374 :SGTFETEGWSVFKFS T0532 327 :FNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jysA 394 :GQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKA 3jysA 431 :KASAVEYINAL T0532 373 :IRAHM 3jysA 443 :KRAYG T0532 408 :PAI 3jysA 448 :DDK T0532 411 :QLSGEKEADIEKILTQRYLASFMQ 3jysA 454 :SENWLEENNFRNLLDERGRELYWE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTM 3jysA 478 :GIRRTDLVRFDLLTSGSYTWDFKGGI T0532 490 :RQFGGVDDVNKLMWILQ 3jysA 504 :NTGVGVNKRYNVYPIPV Number of specific fragments extracted= 22 number of extra gaps= 3 total=16608 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1177251726.pdb -s /var/tmp/to_scwrl_1177251726.seq -o /var/tmp/from_scwrl_1177251726.pdb > /var/tmp/scwrl_1177251726.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1177251726.pdb Number of alignments=1122 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)P250 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)F251 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)G260 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 T0532 92 :TLINAQKMVESVSD 3jysA 137 :EFLKNIPNAPESID T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jysA 151 :KESYIAQARFNRAFAYYVLMDMFALPPFITEKN T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 184 :YSIEPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARIVASG 3jysA 225 :VASALLARMYLNAEIYTGKARYTECINACNEVIKA T0532 228 :SLMESNEDNLQ 3jysA 262 :QLADNYADLFK T0532 239 :MKYADKANTVY 3jysA 277 :ENPDTKKEIIY T0532 252 :HNTN 3jysA 290 :IFDG T0532 261 :YAMLSTM 3jysA 299 :WGMAAII T0532 268 :LIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIGTDPSLPFEQIEKAYA 3jysA 336 :LVHLFDFQNDEEPKASEIQDKRGIFYDKGRSIDITSSVSGTFETEGWSVFKFS T0532 323 :QYS 3jysA 391 :NSN T0532 327 :FNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jysA 394 :GQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKAIRAHME 3jysA 431 :KASAVEYINALRKRAYG T0532 408 :PAIQ 3jysA 448 :DDKH T0532 412 :LSGEKEADIEKILTQRYLASFMQ 3jysA 455 :ENWLEENNFRNLLDERGRELYWE T0532 437 :YDVYYDYRRTGYPVLPINP 3jysA 478 :GIRRTDLVRFDLLTSGSYT Number of specific fragments extracted= 16 number of extra gaps= 2 total=16624 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_722147187.pdb -s /var/tmp/to_scwrl_722147187.seq -o /var/tmp/from_scwrl_722147187.pdb > /var/tmp/scwrl_722147187.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_722147187.pdb Number of alignments=1123 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)M239 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)K240 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)A245 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y249 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 T0532 57 :SFIYDELLAKQMAWG 3jysA 85 :WWTLQEQPTDEMKNA T0532 73 :SMEDYQ 3jysA 100 :WNDAWC T0532 79 :YNV 3jysA 112 :TWT T0532 82 :FGRSGFGGYTTLINAQKMVESV 3jysA 121 :IEGVYQRCMYIVALVNEFLKNI T0532 104 :SDD 3jysA 148 :SID T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3jysA 151 :KESYIAQARFNRAFAYYVLMDMFALPPFITEKN T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3jysA 184 :YSIEPAPLSREDLFNWIEAELNEIKPNLPSPRS T0532 183 :LGGSISKW 3jysA 217 :EYGVADQA T0532 193 :ATTAFQLKVLMHLSKKESDADLKVKERFARIVAS 3jysA 225 :VASALLARMYLNAEIYTGKARYTECINACNEVIK T0532 227 :G 3jysA 260 :G T0532 228 :SLMESNEDNLQ 3jysA 262 :QLADNYADLFK T0532 241 :YADK 3jysA 290 :IFDG T0532 250 :PFHNTN 3jysA 318 :LAHSGV T0532 258 :HAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAKLNEGVTADSWDAYIG 3jysA 326 :GWAGFRATSNLVHLFDFQNDEEPKASEIQDKRGIFYDKGRSIDITSSV T0532 311 :PFEQIEKAYATEQYS 3jysA 374 :SGTFETEGWSVFKFS T0532 327 :FNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3jysA 394 :GQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGE T0532 362 :SGDASAYYKKA 3jysA 431 :KASAVEYINAL T0532 373 :IRAHM 3jysA 443 :KRAYG T0532 408 :PAI 3jysA 448 :DDK T0532 411 :QLSGEKEADIEKILTQRYLASFMQ 3jysA 454 :SENWLEENNFRNLLDERGRELYWE T0532 437 :YDVYYDYRRTGYPVLPINPATNRN 3jysA 478 :GIRRTDLVRFDLLTSGSYTWDFKG Number of specific fragments extracted= 21 number of extra gaps= 3 total=16645 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1988006544.pdb -s /var/tmp/to_scwrl_1988006544.seq -o /var/tmp/from_scwrl_1988006544.pdb > /var/tmp/scwrl_1988006544.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1988006544.pdb Number of alignments=1124 # 3jysA read from all-align.a2m # found chain 3jysA in template set T0532 326 :GFNARYTDYP 3jysA 508 :GVNKRYNVYP Number of specific fragments extracted= 1 number of extra gaps= 0 total=16646 # 3jysA read from all-align.a2m # found chain 3jysA in template set Number of specific fragments extracted= 0 number of extra gaps= 0 total=16646 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDE 3jysA 441 :LRKRAYGDDKHNISE T0532 413 :SGEKEADIEKILTQRYLASF 3jysA 456 :NWLEENNFRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 23 number of extra gaps= 3 total=16669 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_520073172.pdb -s /var/tmp/to_scwrl_520073172.seq -o /var/tmp/from_scwrl_520073172.pdb > /var/tmp/scwrl_520073172.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520073172.pdb Number of alignments=1125 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jysA 224 :AVASALLARMYLNAEIYTGKARY T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATGD 3jysA 326 :GWAGFRATSNLVHLFDFQND T0532 278 :IRMFYYAKPAKAKLNE 3jysA 348 :PKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16693 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2146410966.pdb -s /var/tmp/to_scwrl_2146410966.seq -o /var/tmp/from_scwrl_2146410966.pdb > /var/tmp/scwrl_2146410966.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146410966.pdb Number of alignments=1126 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 278 :IRMFYYAKPAKAKLNE 3jysA 348 :PKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEE 3jysA 441 :LRKRAYGDDKHNISEN T0532 414 :GEKEADIEKILTQRYLASF 3jysA 457 :WLEENNFRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 23 number of extra gaps= 3 total=16716 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1198629324.pdb -s /var/tmp/to_scwrl_1198629324.seq -o /var/tmp/from_scwrl_1198629324.pdb > /var/tmp/scwrl_1198629324.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1198629324.pdb Number of alignments=1127 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIR 3jysA 355 :DKR T0532 288 :KAKLNE 3jysA 358 :GIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 25 number of extra gaps= 3 total=16741 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1091817776.pdb -s /var/tmp/to_scwrl_1091817776.seq -o /var/tmp/from_scwrl_1091817776.pdb > /var/tmp/scwrl_1091817776.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1091817776.pdb Number of alignments=1128 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDP 3jysA 347 :EPKASEIQDKRGIFYDKGRSIDITSSVSGTFE T0532 316 :EKAYATEQYS 3jysA 379 :TEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16765 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_962739548.pdb -s /var/tmp/to_scwrl_962739548.seq -o /var/tmp/from_scwrl_962739548.pdb > /var/tmp/scwrl_962739548.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_962739548.pdb Number of alignments=1129 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 245 :ANTVYPFHNTN 3jysA 313 :DKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNE 3jysA 347 :EPKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16789 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_226562720.pdb -s /var/tmp/to_scwrl_226562720.seq -o /var/tmp/from_scwrl_226562720.pdb > /var/tmp/scwrl_226562720.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226562720.pdb Number of alignments=1130 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNE 3jysA 347 :EPKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16813 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1588413569.pdb -s /var/tmp/to_scwrl_1588413569.seq -o /var/tmp/from_scwrl_1588413569.pdb > /var/tmp/scwrl_1588413569.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1588413569.pdb Number of alignments=1131 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16837 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2082354541.pdb -s /var/tmp/to_scwrl_2082354541.seq -o /var/tmp/from_scwrl_2082354541.pdb > /var/tmp/scwrl_2082354541.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2082354541.pdb Number of alignments=1132 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDD 3jysA 146 :PES T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 150 :DKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jysA 224 :AVASALLARMYLNAEIYTGKARY T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 250 :PFHNTN 3jysA 318 :LAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 25 number of extra gaps= 3 total=16862 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_789062210.pdb -s /var/tmp/to_scwrl_789062210.seq -o /var/tmp/from_scwrl_789062210.pdb > /var/tmp/scwrl_789062210.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_789062210.pdb Number of alignments=1133 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDD 3jysA 146 :PES T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3jysA 150 :DKESYIAQARFNRAFAYYVLMDMFALPPFITE T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 182 :KNYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 243 :DK 3jysA 319 :AH T0532 253 :NTN 3jysA 321 :SGV T0532 258 :HAGYAMLSTMLIDKF 3jysA 326 :GWAGFRATSNLVHLF T0532 274 :ATG 3jysA 344 :NDE T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPD 3jysA 441 :LRKRAYGDDKHNIS T0532 387 :EEVY 3jysA 456 :NWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 28 number of extra gaps= 3 total=16890 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2102255565.pdb -s /var/tmp/to_scwrl_2102255565.seq -o /var/tmp/from_scwrl_2102255565.pdb > /var/tmp/scwrl_2102255565.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2102255565.pdb Number of alignments=1134 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNE 3jysA 347 :EPKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16914 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1525623884.pdb -s /var/tmp/to_scwrl_1525623884.seq -o /var/tmp/from_scwrl_1525623884.pdb > /var/tmp/scwrl_1525623884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1525623884.pdb Number of alignments=1135 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 247 :TVYPFHNTN 3jysA 315 :DVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 278 :IRMFYYAKPAKAKLNE 3jysA 348 :PKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16938 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_607317665.pdb -s /var/tmp/to_scwrl_607317665.seq -o /var/tmp/from_scwrl_607317665.pdb > /var/tmp/scwrl_607317665.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_607317665.pdb Number of alignments=1136 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDE 3jysA 441 :LRKRAYGDDKHNISE T0532 413 :SGEKEADIEKILTQRYLASF 3jysA 456 :NWLEENNFRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 23 number of extra gaps= 3 total=16961 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_844027937.pdb -s /var/tmp/to_scwrl_844027937.seq -o /var/tmp/from_scwrl_844027937.pdb > /var/tmp/scwrl_844027937.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_844027937.pdb Number of alignments=1137 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jysA 224 :AVASALLARMYLNAEIYTGKARY T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATGD 3jysA 326 :GWAGFRATSNLVHLFDFQND T0532 278 :IRMFYYAKPAKAKLNE 3jysA 348 :PKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=16985 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1410255515.pdb -s /var/tmp/to_scwrl_1410255515.seq -o /var/tmp/from_scwrl_1410255515.pdb > /var/tmp/scwrl_1410255515.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1410255515.pdb Number of alignments=1138 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 278 :IRMFYYAKPAKAKLNE 3jysA 348 :PKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEE 3jysA 441 :LRKRAYGDDKHNISEN T0532 414 :GEKEADIEKILTQRYLASF 3jysA 457 :WLEENNFRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 23 number of extra gaps= 3 total=17008 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_829984867.pdb -s /var/tmp/to_scwrl_829984867.seq -o /var/tmp/from_scwrl_829984867.pdb > /var/tmp/scwrl_829984867.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_829984867.pdb Number of alignments=1139 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIR 3jysA 355 :DKR T0532 288 :KAKLNE 3jysA 358 :GIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 25 number of extra gaps= 3 total=17033 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1598764770.pdb -s /var/tmp/to_scwrl_1598764770.seq -o /var/tmp/from_scwrl_1598764770.pdb > /var/tmp/scwrl_1598764770.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1598764770.pdb Number of alignments=1140 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 31 :DATTKVTSSLLATGLLLDIT 3jysA 40 :AYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNEGVTADSWDAYIGTDP 3jysA 347 :EPKASEIQDKRGIFYDKGRSIDITSSVSGTFE T0532 316 :EKAYATEQYS 3jysA 379 :TEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=17057 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1789910581.pdb -s /var/tmp/to_scwrl_1789910581.seq -o /var/tmp/from_scwrl_1789910581.pdb > /var/tmp/scwrl_1789910581.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1789910581.pdb Number of alignments=1141 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 245 :ANTVYPFHNTN 3jysA 313 :DKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNE 3jysA 347 :EPKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=17081 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_900421510.pdb -s /var/tmp/to_scwrl_900421510.seq -o /var/tmp/from_scwrl_900421510.pdb > /var/tmp/scwrl_900421510.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_900421510.pdb Number of alignments=1142 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNE 3jysA 347 :EPKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=17105 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1422457020.pdb -s /var/tmp/to_scwrl_1422457020.seq -o /var/tmp/from_scwrl_1422457020.pdb > /var/tmp/scwrl_1422457020.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1422457020.pdb Number of alignments=1143 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=17129 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1411463518.pdb -s /var/tmp/to_scwrl_1411463518.seq -o /var/tmp/from_scwrl_1411463518.pdb > /var/tmp/scwrl_1411463518.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1411463518.pdb Number of alignments=1144 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDD 3jysA 146 :PES T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 150 :DKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDADL 3jysA 224 :AVASALLARMYLNAEIYTGKARY T0532 215 :KVKERFARIVASG 3jysA 248 :ECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 250 :PFHNTN 3jysA 318 :LAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 25 number of extra gaps= 3 total=17154 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_14683953.pdb -s /var/tmp/to_scwrl_14683953.seq -o /var/tmp/from_scwrl_14683953.pdb > /var/tmp/scwrl_14683953.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_14683953.pdb Number of alignments=1145 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDD 3jysA 146 :PES T0532 107 :NVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEA 3jysA 150 :DKESYIAQARFNRAFAYYVLMDMFALPPFITE T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 182 :KNYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 243 :DK 3jysA 319 :AH T0532 253 :NTN 3jysA 321 :SGV T0532 258 :HAGYAMLSTMLIDKF 3jysA 326 :GWAGFRATSNLVHLF T0532 274 :ATG 3jysA 344 :NDE T0532 277 :DIRMFYYAK 3jysA 355 :DKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPD 3jysA 441 :LRKRAYGDDKHNIS T0532 387 :EEVY 3jysA 456 :NWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 28 number of extra gaps= 3 total=17182 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1616431244.pdb -s /var/tmp/to_scwrl_1616431244.seq -o /var/tmp/from_scwrl_1616431244.pdb > /var/tmp/scwrl_1616431244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1616431244.pdb Number of alignments=1146 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 238 :QMKYADKANTVYPFHNTN 3jysA 306 :IGARGAEDKDVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 277 :DIRMFYYAKPAKAKLNE 3jysA 347 :EPKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=17206 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_251951195.pdb -s /var/tmp/to_scwrl_251951195.seq -o /var/tmp/from_scwrl_251951195.pdb > /var/tmp/scwrl_251951195.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_251951195.pdb Number of alignments=1147 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S51 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)K257 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)G326 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)F327 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDIT 3jysA 39 :KAYTDAESYTKGLHKIYSVWA T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQY 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWNDAWCTE T0532 80 :NVFGRSGFGG 3jysA 118 :VEPIEGVYQR T0532 90 :YTTLINAQKMVESV 3jysA 129 :MYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEK T0532 143 :LGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3jysA 183 :NYSIEPAPLSREDLFNWIEAELNEIKPNLPSPRSE T0532 184 :GGSISK 3jysA 218 :YGVADQ T0532 192 :KATTAFQLKVLMHLSKKESDA 3jysA 224 :AVASALLARMYLNAEIYTGKA T0532 213 :DLKVKERFARIVASG 3jysA 246 :YTECINACNEVIKAG T0532 228 :SLMESNEDNL 3jysA 262 :QLADNYADLF T0532 247 :TVYPFHNTN 3jysA 315 :DVLLAHSGV T0532 258 :HAGYAMLSTMLIDKFKATG 3jysA 326 :GWAGFRATSNLVHLFDFQN T0532 278 :IRMFYYAKPAKAKLNE 3jysA 348 :PKASEIQDKRGIFYDK T0532 301 :DAYIGTDPSLPFEQIEKAYATEQYS 3jysA 364 :GRSIDITSSVSGTFETEGWSVFKFS T0532 328 :NAR 3jysA 391 :NSN T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGW 3jysA 398 :KNTLWVDTDFPMFRLGDIYLMYAEAVARGG T0532 361 :ISGDASAYYKK 3jysA 430 :SKASAVEYINA T0532 373 :IRAHMEFIASNTPDEEVYH 3jysA 441 :LRKRAYGDDKHNISENWLE T0532 413 :SGE 3jysA 460 :ENN T0532 420 :IEKILTQRYLASF 3jysA 463 :FRNLLDERGRELY T0532 434 :QHPY 3jysA 476 :WEGI T0532 439 :VYYDYRRTGYPVLP 3jysA 480 :RRTDLVRFDLLTSG T0532 453 :INPATNRNTMNDRLPMRWMYP 3jysA 499 :FKGGINTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 24 number of extra gaps= 3 total=17230 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1438194743.pdb -s /var/tmp/to_scwrl_1438194743.seq -o /var/tmp/from_scwrl_1438194743.pdb > /var/tmp/scwrl_1438194743.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1438194743.pdb Number of alignments=1148 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)K273 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)D496 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLI 3jysA 299 :WGMAAIII T0532 274 :ATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 326 :GWAGFRATSNLVHLFDFQNDEEPKASEI T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASA 3jysA 432 :ASAVE T0532 369 :YKKAIRAHMEFIASN 3jysA 437 :YINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNE 3jysA 522 :DLTVNGNLQQN T0532 494 :GV 3jysA 533 :EG Number of specific fragments extracted= 18 number of extra gaps= 4 total=17248 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2068177152.pdb -s /var/tmp/to_scwrl_2068177152.seq -o /var/tmp/from_scwrl_2068177152.pdb > /var/tmp/scwrl_2068177152.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068177152.pdb Number of alignments=1149 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)N253 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)H258 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)K288 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)A289 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)E489 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 254 :TNTK 3jysA 290 :IFDG T0532 263 :MLSTMLIDKFKATGDIRMFYYAKPA 3jysA 299 :WGMAAIIIGARGAEDKDVLLAHSGV T0532 290 :KLNEGVTADSWD 3jysA 326 :GWAGFRATSNLV T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 16 number of extra gaps= 4 total=17264 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_224880067.pdb -s /var/tmp/to_scwrl_224880067.seq -o /var/tmp/from_scwrl_224880067.pdb > /var/tmp/scwrl_224880067.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_224880067.pdb Number of alignments=1150 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)D496 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASA 3jysA 432 :ASAVE T0532 369 :YKKAIRAHMEFIASN 3jysA 437 :YINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNEAL 3jysA 522 :DLTVNGNLQQNEG Number of specific fragments extracted= 16 number of extra gaps= 3 total=17280 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_21518012.pdb -s /var/tmp/to_scwrl_21518012.seq -o /var/tmp/from_scwrl_21518012.pdb > /var/tmp/scwrl_21518012.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_21518012.pdb Number of alignments=1151 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)D496 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLID 3jysA 299 :WGMAAIIIG T0532 273 :KATGDIRMFYYAKPAKAK 3jysA 351 :SEIQDKRGIFYDKGRSID T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQN 3jysA 522 :DLTVNGNLQQ T0532 493 :GGV 3jysA 532 :NEG Number of specific fragments extracted= 17 number of extra gaps= 3 total=17297 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_196811081.pdb -s /var/tmp/to_scwrl_196811081.seq -o /var/tmp/from_scwrl_196811081.pdb > /var/tmp/scwrl_196811081.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_196811081.pdb Number of alignments=1152 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)D496 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSP T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 219 :GVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLID 3jysA 299 :WGMAAIIIG T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWDAYI 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITSSVS T0532 308 :PSLPFEQIEKAYAT 3jysA 375 :GTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 364 :DASAYYKKAIRAHMEFIASN 3jysA 432 :ASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQN 3jysA 522 :DLTVNGNLQQ T0532 493 :GGV 3jysA 532 :NEG Number of specific fragments extracted= 17 number of extra gaps= 3 total=17314 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1402131793.pdb -s /var/tmp/to_scwrl_1402131793.seq -o /var/tmp/from_scwrl_1402131793.pdb > /var/tmp/scwrl_1402131793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1402131793.pdb Number of alignments=1153 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)N499 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 254 :T 3jysA 287 :Y T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQ 3jysA 522 :DLTVNGNLQ T0532 495 :VDDV 3jysA 531 :QNEG Number of specific fragments extracted= 18 number of extra gaps= 3 total=17332 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_743665199.pdb -s /var/tmp/to_scwrl_743665199.seq -o /var/tmp/from_scwrl_743665199.pdb > /var/tmp/scwrl_743665199.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_743665199.pdb Number of alignments=1154 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)D496 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 252 :HNT 3jysA 285 :IIY T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQN 3jysA 522 :DLTVNGNLQQ T0532 493 :GGV 3jysA 532 :NEG Number of specific fragments extracted= 18 number of extra gaps= 3 total=17350 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_37333979.pdb -s /var/tmp/to_scwrl_37333979.seq -o /var/tmp/from_scwrl_37333979.pdb > /var/tmp/scwrl_37333979.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_37333979.pdb Number of alignments=1155 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)D496 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLIDK 3jysA 299 :WGMAAIIIGA T0532 273 :KATGDIRMFYYAKPAKAKLNE 3jysA 351 :SEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIA 3jysA 432 :ASAVEYINALRKRAYGDDK T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3jysA 451 :HNISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQN 3jysA 522 :DLTVNGNLQQ T0532 493 :GGV 3jysA 532 :NEG Number of specific fragments extracted= 17 number of extra gaps= 3 total=17367 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1922204965.pdb -s /var/tmp/to_scwrl_1922204965.seq -o /var/tmp/from_scwrl_1922204965.pdb > /var/tmp/scwrl_1922204965.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1922204965.pdb Number of alignments=1156 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)N499 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLM 3jysA 216 :SEYGVADQAVASALLARMYL T0532 204 :HLSKKESDADLKVKERFAR 3jysA 240 :YTGKARYTECINACNEVIK T0532 227 :GS 3jysA 259 :AG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLID 3jysA 299 :WGMAAIIIG T0532 273 :KATGDIRMFYYAKPAKAK 3jysA 351 :SEIQDKRGIFYDKGRSID T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEH 3jysA 522 :DLTVNGNL T0532 494 :GVDDV 3jysA 530 :QQNEG Number of specific fragments extracted= 19 number of extra gaps= 3 total=17386 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_742592519.pdb -s /var/tmp/to_scwrl_742592519.seq -o /var/tmp/from_scwrl_742592519.pdb > /var/tmp/scwrl_742592519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_742592519.pdb Number of alignments=1157 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)N499 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHL 3jysA 216 :SEYGVADQAVASALLARMYLNA T0532 206 :SKKESDADLKVKERFAR 3jysA 242 :GKARYTECINACNEVIK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3jysA 259 :AGYQLADNYADLFKADNGENPDTKKEI T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLIDKF 3jysA 299 :WGMAAIIIGAR T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTA 3jysA 351 :SEIQDKRGIFYDKGRSIDITSSVSG T0532 309 :SLPFEQIEKAYAT 3jysA 376 :TFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3jysA 432 :ASAVEYINALRKRAYGDDKHNISENWL T0532 416 :KEADIEKILTQRYLASFM 3jysA 459 :EENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYN 3jysA 522 :DLTVN T0532 493 :G 3jysA 527 :G T0532 494 :GVDDV 3jysA 530 :QQNEG Number of specific fragments extracted= 19 number of extra gaps= 3 total=17405 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1235963303.pdb -s /var/tmp/to_scwrl_1235963303.seq -o /var/tmp/from_scwrl_1235963303.pdb > /var/tmp/scwrl_1235963303.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1235963303.pdb Number of alignments=1158 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)N499 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLM 3jysA 216 :SEYGVADQAVASALLARMYL T0532 204 :HLSKKE 3jysA 240 :YTGKAR T0532 214 :LKVKERFARIVASGS 3jysA 246 :YTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 254 :T 3jysA 287 :Y T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEH 3jysA 522 :DLTVNGNL T0532 494 :GVDDV 3jysA 530 :QQNEG Number of specific fragments extracted= 20 number of extra gaps= 3 total=17425 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_866539095.pdb -s /var/tmp/to_scwrl_866539095.seq -o /var/tmp/from_scwrl_866539095.pdb > /var/tmp/scwrl_866539095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_866539095.pdb Number of alignments=1159 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 Warning: unaligning (T0532)D496 because last residue in template chain is (3jysA)Y535 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 252 :HNT 3jysA 285 :IIY T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQN 3jysA 522 :DLTVNGNLQQ T0532 493 :GGV 3jysA 532 :NEG Number of specific fragments extracted= 18 number of extra gaps= 3 total=17443 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1705332066.pdb -s /var/tmp/to_scwrl_1705332066.seq -o /var/tmp/from_scwrl_1705332066.pdb > /var/tmp/scwrl_1705332066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1705332066.pdb Number of alignments=1160 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)L46 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)K273 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 47 :LDITSSSASKSFIYDELLAKQM 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLI 3jysA 299 :WGMAAIII T0532 274 :ATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 326 :GWAGFRATSNLVHLFDFQNDEEPKASEI T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASA 3jysA 432 :ASAVE T0532 369 :YKKAIRAHMEFIASN 3jysA 437 :YINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNE 3jysA 522 :DLTVNGNLQQN Number of specific fragments extracted= 17 number of extra gaps= 4 total=17460 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1462526023.pdb -s /var/tmp/to_scwrl_1462526023.seq -o /var/tmp/from_scwrl_1462526023.pdb > /var/tmp/scwrl_1462526023.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1462526023.pdb Number of alignments=1161 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)L46 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)N253 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)H258 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)A262 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)K288 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)Q325 Warning: unaligning (T0532)A289 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)Q325 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 47 :LDITSSSASKSFIYDELLAKQM 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 254 :TNTK 3jysA 290 :IFDG T0532 263 :MLSTMLIDKFKATGDIRMFYYAKPA 3jysA 299 :WGMAAIIIGARGAEDKDVLLAHSGV T0532 290 :KLNEGVTADSWD 3jysA 326 :GWAGFRATSNLV T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNE 3jysA 522 :DLTVNGNLQQN Number of specific fragments extracted= 16 number of extra gaps= 4 total=17476 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_307469018.pdb -s /var/tmp/to_scwrl_307469018.seq -o /var/tmp/from_scwrl_307469018.pdb > /var/tmp/scwrl_307469018.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_307469018.pdb Number of alignments=1162 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)L46 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 47 :LDITSSSASKSFIYDELLAKQM 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASA 3jysA 432 :ASAVE T0532 369 :YKKAIRAHMEFIASN 3jysA 437 :YINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEHQNE 3jysA 522 :DLTVNGNLQQN Number of specific fragments extracted= 16 number of extra gaps= 3 total=17492 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1640202960.pdb -s /var/tmp/to_scwrl_1640202960.seq -o /var/tmp/from_scwrl_1640202960.pdb > /var/tmp/scwrl_1640202960.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1640202960.pdb Number of alignments=1163 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLID 3jysA 299 :WGMAAIIIG T0532 273 :KATGDIRMFYYAKPAKAK 3jysA 351 :SEIQDKRGIFYDKGRSID T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLE 3jysA 522 :DLTVNGN Number of specific fragments extracted= 15 number of extra gaps= 3 total=17507 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_104104586.pdb -s /var/tmp/to_scwrl_104104586.seq -o /var/tmp/from_scwrl_104104586.pdb > /var/tmp/scwrl_104104586.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_104104586.pdb Number of alignments=1164 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)L46 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 47 :LDITSSSASKSFIYDELLAKQM 3jysA 80 :ALLRCWWTLQEQPTDEMKNAWN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTA 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSP T0532 187 :ISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 219 :GVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLID 3jysA 299 :WGMAAIIIG T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWDAYI 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITSSVS T0532 308 :PSLPFEQIEKAYAT 3jysA 375 :GTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 364 :DASAYYKKAIRAHMEFIASN 3jysA 432 :ASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLE 3jysA 522 :DLTVNGN Number of specific fragments extracted= 16 number of extra gaps= 3 total=17523 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_262240936.pdb -s /var/tmp/to_scwrl_262240936.seq -o /var/tmp/from_scwrl_262240936.pdb > /var/tmp/scwrl_262240936.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_262240936.pdb Number of alignments=1165 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 33 :TTKVTSSLLATGLLLDITSS 3jysA 42 :TDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 254 :T 3jysA 287 :Y T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLE 3jysA 522 :DLTVNGN Number of specific fragments extracted= 17 number of extra gaps= 3 total=17540 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1018343198.pdb -s /var/tmp/to_scwrl_1018343198.seq -o /var/tmp/from_scwrl_1018343198.pdb > /var/tmp/scwrl_1018343198.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1018343198.pdb Number of alignments=1166 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 252 :HNT 3jysA 285 :IIY T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEH 3jysA 522 :DLTVNGNL Number of specific fragments extracted= 16 number of extra gaps= 3 total=17556 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_711422252.pdb -s /var/tmp/to_scwrl_711422252.seq -o /var/tmp/from_scwrl_711422252.pdb > /var/tmp/scwrl_711422252.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_711422252.pdb Number of alignments=1167 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLIDK 3jysA 299 :WGMAAIIIGA T0532 273 :KATGDIRMFYYAKPAKAKLNE 3jysA 351 :SEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIA 3jysA 432 :ASAVEYINALRKRAYGDDK T0532 408 :PAIQLSGEKEADIEKILTQRYLASFM 3jysA 451 :HNISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLEH 3jysA 522 :DLTVNGNL Number of specific fragments extracted= 15 number of extra gaps= 3 total=17571 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1106268872.pdb -s /var/tmp/to_scwrl_1106268872.seq -o /var/tmp/from_scwrl_1106268872.pdb > /var/tmp/scwrl_1106268872.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1106268872.pdb Number of alignments=1168 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLM 3jysA 216 :SEYGVADQAVASALLARMYL T0532 204 :HLSKKESDADLKVKERFAR 3jysA 240 :YTGKARYTECINACNEVIK T0532 227 :GS 3jysA 259 :AG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLID 3jysA 299 :WGMAAIIIG T0532 273 :KATGDIRMFYYAKPAKAK 3jysA 351 :SEIQDKRGIFYDKGRSID T0532 302 :AYIGTDPSLPFEQIEKAYAT 3jysA 369 :ITSSVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLE 3jysA 522 :DLTVNGN Number of specific fragments extracted= 18 number of extra gaps= 3 total=17589 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_281115066.pdb -s /var/tmp/to_scwrl_281115066.seq -o /var/tmp/from_scwrl_281115066.pdb > /var/tmp/scwrl_281115066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_281115066.pdb Number of alignments=1169 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3jysA)D38 Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)H252 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)K257 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 30 :PDATTKVTSSLLATGLLLDITSS 3jysA 39 :KAYTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHL 3jysA 216 :SEYGVADQAVASALLARMYLNA T0532 206 :SKKESDADLKVKERFAR 3jysA 242 :GKARYTECINACNEVIK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3jysA 259 :AGYQLADNYADLFKADNGENPDTKKEI T0532 253 :NTNT 3jysA 290 :IFDG T0532 262 :AMLSTMLIDKF 3jysA 299 :WGMAAIIIGAR T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTA 3jysA 351 :SEIQDKRGIFYDKGRSIDITSSVSG T0532 309 :SLPFEQIEKAYAT 3jysA 376 :TFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDEEV 3jysA 432 :ASAVEYINALRKRAYGDDKHNISENWL T0532 416 :KEADIEKILTQRYLASFM 3jysA 459 :EENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYN 3jysA 522 :DLTVN Number of specific fragments extracted= 17 number of extra gaps= 3 total=17606 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1541407118.pdb -s /var/tmp/to_scwrl_1541407118.seq -o /var/tmp/from_scwrl_1541407118.pdb > /var/tmp/scwrl_1541407118.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1541407118.pdb Number of alignments=1170 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)S53 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (3jysA)T79 Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 32 :ATTKVTSSLLATGLLLDITSS 3jysA 41 :YTDAESYTKGLHKIYSVWALS T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLM 3jysA 216 :SEYGVADQAVASALLARMYL T0532 204 :HLSKKE 3jysA 240 :YTGKAR T0532 214 :LKVKERFARIVASGS 3jysA 246 :YTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 254 :T 3jysA 287 :Y T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLE 3jysA 522 :DLTVNGN Number of specific fragments extracted= 19 number of extra gaps= 3 total=17625 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_557549997.pdb -s /var/tmp/to_scwrl_557549997.seq -o /var/tmp/from_scwrl_557549997.pdb > /var/tmp/scwrl_557549997.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_557549997.pdb Number of alignments=1171 # 3jysA read from all-align.a2m # found chain 3jysA in template set Warning: unaligning (T0532)N255 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)I289 Warning: unaligning (T0532)T256 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)I289 Warning: unaligning (T0532)Y261 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3jysA)S298 Warning: unaligning (T0532)S265 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3jysA)S298 Warning: unaligning (T0532)E322 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)L390 Warning: unaligning (T0532)Q323 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)L390 Warning: unaligning (T0532)K474 because of BadResidue code BAD_PEPTIDE in next template residue (3jysA)T521 Warning: unaligning (T0532)S475 because of BadResidue code BAD_PEPTIDE at template residue (3jysA)T521 T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3jysA 108 :VNYMTWTTNKVEPIEGVYQRCMYIVALVNEFLKNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3jysA 147 :ESIDKESYIAQARFNRAFAYYVLMDMFALPPFITEKNY T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3jysA 185 :SIEPAPLSREDLFNWIEAELNEIKPNLPSPR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGS 3jysA 216 :SEYGVADQAVASALLARMYLNAEIYTGKARYTECINACNEVIKAG T0532 230 :MESNEDNLQMKYADKANTVYPF 3jysA 261 :YQLADNYADLFKADNGENPDTK T0532 252 :HNT 3jysA 285 :IIY T0532 257 :KHAG 3jysA 290 :IFDG T0532 266 :TMLIDKF 3jysA 299 :WGMAAII T0532 273 :KATGDIRMFYYAKPAKAKLNEGVTADSWD 3jysA 343 :QNDEEPKASEIQDKRGIFYDKGRSIDITS T0532 305 :GTDPSLPFEQIEKAYAT 3jysA 372 :SVSGTFETEGWSVFKFS T0532 324 :YSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3jysA 391 :NSNGQPGKNTLWVDTDFPMFRLGDIYLMYAEAVARGGEG T0532 363 :GDASAYYKKAIRAHMEFIASN 3jysA 431 :KASAVEYINALRKRAYGDDKH T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3jysA 452 :NISENWLEENNFRNLLDERGRELYW T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3jysA 477 :EGIRRTDLVRFDLLTSGSYTWD T0532 458 :NRNTMNDRLPMRWMYP 3jysA 504 :NTGVGVNKRYNVYPIP T0532 476 :ESDYNLE 3jysA 522 :DLTVNGN Number of specific fragments extracted= 16 number of extra gaps= 3 total=17641 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2071025647.pdb -s /var/tmp/to_scwrl_2071025647.seq -o /var/tmp/from_scwrl_2071025647.pdb > /var/tmp/scwrl_2071025647.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2071025647.pdb Number of alignments=1172 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)P436 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)I504 because last residue in template chain is (3kezA)V481 T0532 25 :EINTDPDATTKVTSSLLAT 3kezA 36 :TSINVLSDIEFTLNGIYST T0532 44 :GLLLDITSSSASKSFIYDELLA 3kezA 57 :SSDAYSGRLVYYGDVTGDDMQA T0532 67 :QMAWGESMEDYQYNVFGRSGF 3kezA 79 :VSSTKRTGNYYRFNFTKDNGP T0532 88 :GGYTTLINAQKMVE 3kezA 105 :YLYSIIQNCNLILM T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFS 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLS T0532 180 :DPILGGSISKW 3kezA 207 :GDFNKGKVNRW T0532 193 :ATTAFQLKVLMHLSKKE 3kezA 218 :AAMTLLSRVYLYKGEYN T0532 215 :KVKERFARIVAS 3kezA 235 :EALTMAENAIKG T0532 227 :GSL 3kezA 252 :YAL T0532 230 :MESNEDNL 3kezA 257 :NEEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAKAK 3kezA 321 :DVRLKILSFDKKYY T0532 319 :YATEQYSG 3kezA 335 :AYVNKYQP T0532 330 :RYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3kezA 343 :QQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIV T0532 374 :RAHMEFIAS 3kezA 388 :RANPENSVE T0532 415 :EKEADIEKILTQRYLASFMQH 3kezA 397 :GKTLTLENVLDERRKELVAEG T0532 440 :YYDYRRTGYPVLPIN 3kezA 420 :MYDVIRNGMTVKRID T0532 455 :PATNRNTMNDRLPMRWMYPKSESDY 3kezA 446 :NTAYMEYDWNFHKILLPIPKKEMDA T0532 485 :NEALERQFG 3kezA 471 :NPNMKQNPG T0532 503 :W 3kezA 480 :Y Number of specific fragments extracted= 23 number of extra gaps= 2 total=17664 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_294344981.pdb -s /var/tmp/to_scwrl_294344981.seq -o /var/tmp/from_scwrl_294344981.pdb > /var/tmp/scwrl_294344981.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_294344981.pdb Number of alignments=1173 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)P436 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)I504 because last residue in template chain is (3kezA)V481 T0532 25 :EINTDPDATTKVTSSLLATG 3kezA 36 :TSINVLSDIEFTLNGIYSTM T0532 45 :LLLDITSSSASKSFIYDELLA 3kezA 58 :SDAYSGRLVYYGDVTGDDMQA T0532 67 :QMAWGESMEDYQYNVFGRSGF 3kezA 79 :VSSTKRTGNYYRFNFTKDNGP T0532 88 :GGYTTLINAQKMVE 3kezA 105 :YLYSIIQNCNLILM T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFS 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLS T0532 180 :DPILGGSISKW 3kezA 207 :GDFNKGKVNRW T0532 193 :ATTAFQLKVLMHLS 3kezA 218 :AAMTLLSRVYLYKG T0532 215 :KVKERFARIVAS 3kezA 235 :EALTMAENAIKG T0532 227 :GSL 3kezA 252 :YAL T0532 230 :MESNEDNL 3kezA 257 :NEEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAKAK 3kezA 321 :DVRLKILSFDKKYY T0532 319 :YATEQYSG 3kezA 335 :AYVNKYQP T0532 330 :RYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3kezA 343 :QQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIV T0532 374 :RAHMEFIAS 3kezA 388 :RANPENSVE T0532 415 :EKEADIEKILTQRYLASFMQH 3kezA 397 :GKTLTLENVLDERRKELVAEG T0532 440 :YYDYRRTGYPVLPIN 3kezA 420 :MYDVIRNGMTVKRID T0532 455 :PATNRNTMNDRLPMRWMYPKSESDY 3kezA 446 :NTAYMEYDWNFHKILLPIPKKEMDA T0532 485 :NEALERQFG 3kezA 471 :NPNMKQNPG T0532 503 :W 3kezA 480 :Y Number of specific fragments extracted= 23 number of extra gaps= 2 total=17687 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1980007017.pdb -s /var/tmp/to_scwrl_1980007017.seq -o /var/tmp/from_scwrl_1980007017.pdb > /var/tmp/scwrl_1980007017.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1980007017.pdb Number of alignments=1174 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D24 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)P436 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 25 :EINTDPDATTKVTSSLLAT 3kezA 36 :TSINVLSDIEFTLNGIYST T0532 44 :GLLLDITSSSASKSFIYDELLA 3kezA 57 :SSDAYSGRLVYYGDVTGDDMQA T0532 67 :QMAWGESMEDYQYNVFGRSGF 3kezA 79 :VSSTKRTGNYYRFNFTKDNGP T0532 88 :GGYTTLINAQKMVE 3kezA 105 :YLYSIIQNCNLILM T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFS 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLS T0532 180 :DPILGGSISKW 3kezA 207 :GDFNKGKVNRW T0532 193 :ATTAFQLKVLMHLSKKE 3kezA 218 :AAMTLLSRVYLYKGEYN T0532 215 :KVKERFARIVAS 3kezA 235 :EALTMAENAIKG T0532 227 :GSL 3kezA 252 :YAL T0532 230 :MESNEDNL 3kezA 257 :NEEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAKAK 3kezA 321 :DVRLKILSFDKKYY T0532 319 :YATEQYSG 3kezA 335 :AYVNKYQP T0532 330 :RYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3kezA 343 :QQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIV T0532 374 :RAHMEFIAS 3kezA 388 :RANPENSVE T0532 415 :EKEADIEKILTQRYLASFMQH 3kezA 397 :GKTLTLENVLDERRKELVAEG T0532 440 :YYDYRRTGYPVLPIN 3kezA 420 :MYDVIRNGMTVKRID T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYN 3kezA 446 :NTAYMEYDWNFHKILLPIPKKEMDAN Number of specific fragments extracted= 21 number of extra gaps= 2 total=17708 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1335005519.pdb -s /var/tmp/to_scwrl_1335005519.seq -o /var/tmp/from_scwrl_1335005519.pdb > /var/tmp/scwrl_1335005519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335005519.pdb Number of alignments=1175 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)P436 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 27 :NTDPDATTKVTSSLLATG 3kezA 38 :INVLSDIEFTLNGIYSTM T0532 45 :LLLDITSSSASKSFIYDELLA 3kezA 58 :SDAYSGRLVYYGDVTGDDMQA T0532 67 :QMAWGESMEDYQYNVFGRSGF 3kezA 79 :VSSTKRTGNYYRFNFTKDNGP T0532 88 :GGYTTLINAQKMVE 3kezA 105 :YLYSIIQNCNLILM T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFS 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLS T0532 180 :DPILGGSISKW 3kezA 207 :GDFNKGKVNRW T0532 193 :ATTAFQLKVLMHLS 3kezA 218 :AAMTLLSRVYLYKG T0532 215 :KVKERFARIVAS 3kezA 235 :EALTMAENAIKG T0532 227 :GSL 3kezA 252 :YAL T0532 230 :MESNEDNL 3kezA 257 :NEEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAKAK 3kezA 321 :DVRLKILSFDKKYY T0532 319 :YATEQYSG 3kezA 335 :AYVNKYQP T0532 330 :RYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3kezA 343 :QQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIV T0532 374 :RAHMEFIAS 3kezA 388 :RANPENSVE T0532 415 :EKEADIEKILTQRYLASFMQH 3kezA 397 :GKTLTLENVLDERRKELVAEG T0532 440 :YYDYRRTGYPVLPIN 3kezA 420 :MYDVIRNGMTVKRID T0532 455 :PATNRNTMNDRLPMRWMYPKSESDYNL 3kezA 446 :NTAYMEYDWNFHKILLPIPKKEMDANP Number of specific fragments extracted= 21 number of extra gaps= 2 total=17729 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_309028935.pdb -s /var/tmp/to_scwrl_309028935.seq -o /var/tmp/from_scwrl_309028935.pdb > /var/tmp/scwrl_309028935.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_309028935.pdb Number of alignments=1176 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 1 :MKRINKYISLLLATALLASCDK 3kezA 38 :INVLSDIEFTLNGIYSTMQSSD T0532 52 :SSASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYT 3kezA 60 :AYSGRLVYYGDVTGDDMQAVSSTKRTGNYYRFNFTKDNGP T0532 92 :TLINAQKMVE 3kezA 115 :LILMNVDKLS T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFGYPYLKDNGAS T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 176 :STIDSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 183 :LGGSISKW 3kezA 210 :NKGKVNRW T0532 193 :ATTAFQLKVLMHL 3kezA 218 :AAMTLLSRVYLYK T0532 211 :DADLKVKERFARIVAS 3kezA 231 :GEYNEALTMAENAIKG T0532 227 :G 3kezA 250 :E T0532 228 :SLMESNED 3kezA 253 :ALWTNEEY T0532 236 :NLQMKYADKANTVYPFHNTNTKHA 3kezA 279 :EIVNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 315 :IEKAYATEQYSGF 3kezA 331 :KKYYAYVNKYQPQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNT 3kezA 344 :QGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEG T0532 416 :KEADIEKILTQRYLASFMQ 3kezA 398 :KTLTLENVLDERRKELVAE T0532 437 :Y 3kezA 417 :G T0532 440 :YYDYRRTGYPVLPINPATNRNTM 3kezA 420 :MYDVIRNGMTVKRIDVKDSDINK T0532 487 :ALERQFGGVDDVNKLMWILQ 3kezA 443 :TKHNTAYMEYDWNFHKILLP Number of specific fragments extracted= 19 number of extra gaps= 2 total=17748 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1448954614.pdb -s /var/tmp/to_scwrl_1448954614.seq -o /var/tmp/from_scwrl_1448954614.pdb > /var/tmp/scwrl_1448954614.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1448954614.pdb Number of alignments=1177 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 1 :MKRINKYISLLLATALLASCD 3kezA 38 :INVLSDIEFTLNGIYSTMQSS T0532 42 :ATGLLLDITS 3kezA 68 :YGDVTGDDMQ T0532 67 :QMAWGESMEDYQYNVFGRSGFGGYTTLINAQKMVE 3kezA 84 :RTGNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILM T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFGYPYLKDNGAS T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 176 :STIDSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 183 :LGGSISKW 3kezA 210 :NKGKVNRW T0532 193 :ATTAFQLKVLMHL 3kezA 218 :AAMTLLSRVYLYK T0532 212 :ADLKVKERFARIVAS 3kezA 232 :EYNEALTMAENAIKG T0532 227 :G 3kezA 250 :E T0532 228 :SLMESNED 3kezA 253 :ALWTNEEY T0532 236 :NLQMKYADKANTV 3kezA 277 :LFEIVNLTTDSPG T0532 249 :YPFHNTNTKHA 3kezA 292 :SMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 318 :AYATEQYSGF 3kezA 334 :YAYVNKYQPQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3kezA 344 :QGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIV T0532 374 :RAHMEFI 3kezA 388 :RANPENS T0532 416 :KEADIEKILTQRYLASFMQ 3kezA 398 :KTLTLENVLDERRKELVAE T0532 437 :Y 3kezA 417 :G T0532 440 :YYDYRRTGYPVLPINPATNRNTM 3kezA 420 :MYDVIRNGMTVKRIDVKDSDINK T0532 487 :ALER 3kezA 443 :TKHN T0532 491 :QFGGVDDVNKLMWILQ 3kezA 450 :MEYDWNFHKILLPIPK Number of specific fragments extracted= 22 number of extra gaps= 2 total=17770 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1586956714.pdb -s /var/tmp/to_scwrl_1586956714.seq -o /var/tmp/from_scwrl_1586956714.pdb > /var/tmp/scwrl_1586956714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1586956714.pdb Number of alignments=1178 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 92 :TLINAQKMVE 3kezA 115 :LILMNVDKLS T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFGYPYLKDNGAS T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 176 :STIDSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 183 :LGGSISKW 3kezA 210 :NKGKVNRW T0532 193 :ATTAFQLKVLMHL 3kezA 218 :AAMTLLSRVYLYK T0532 211 :DADLKVKERFARIVAS 3kezA 231 :GEYNEALTMAENAIKG T0532 227 :G 3kezA 250 :E T0532 228 :SLMESNED 3kezA 253 :ALWTNEEY T0532 236 :NLQMKYADKANTVYPFHNTNTKHA 3kezA 279 :EIVNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 315 :IEKAYATEQYSGF 3kezA 331 :KKYYAYVNKYQPQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNT 3kezA 344 :QGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEG T0532 416 :KEADIEKILTQRYLASFMQ 3kezA 398 :KTLTLENVLDERRKELVAE T0532 437 :Y 3kezA 417 :G T0532 440 :YYDYRRTGYPVLPINP 3kezA 420 :MYDVIRNGMTVKRIDV T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYN 3kezA 447 :TAYMEYDWNFHKILLPIPKKEMDAN Number of specific fragments extracted= 17 number of extra gaps= 2 total=17787 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1747223678.pdb -s /var/tmp/to_scwrl_1747223678.seq -o /var/tmp/from_scwrl_1747223678.pdb > /var/tmp/scwrl_1747223678.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1747223678.pdb Number of alignments=1179 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 54 :ASKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGG 3kezA 62 :SGRLVYYGDVTGDDMQAVSSTKRTGNYYRFNFTKDN T0532 90 :YTTLINAQ 3kezA 107 :YSIIQNCN T0532 98 :KMVE 3kezA 121 :DKLS T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQG 3kezA 127 :EDETEYKNDLKGQALAIRGMALFDLTRIFGYPYLKDNGAS T0532 142 :ELGLVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 176 :STIDSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 183 :LGGSISKW 3kezA 210 :NKGKVNRW T0532 193 :ATTAFQLKVLMHL 3kezA 218 :AAMTLLSRVYLYK T0532 212 :ADLKVKERFARIVAS 3kezA 232 :EYNEALTMAENAIKG T0532 227 :G 3kezA 250 :E T0532 228 :SLMESNED 3kezA 253 :ALWTNEEY T0532 236 :NLQMKYADKANTV 3kezA 277 :LFEIVNLTTDSPG T0532 249 :YPFHNTNTKHA 3kezA 292 :SMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 318 :AYATEQYSGF 3kezA 334 :YAYVNKYQPQ T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAI 3kezA 344 :QGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIV T0532 374 :RAHMEFI 3kezA 388 :RANPENS T0532 416 :KEADIEKILTQRYLASFMQ 3kezA 398 :KTLTLENVLDERRKELVAE T0532 437 :Y 3kezA 417 :G T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYN 3kezA 449 :YMEYDWNFHKILLPIPKKEMDAN Number of specific fragments extracted= 21 number of extra gaps= 2 total=17808 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1369648120.pdb -s /var/tmp/to_scwrl_1369648120.seq -o /var/tmp/from_scwrl_1369648120.pdb > /var/tmp/scwrl_1369648120.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369648120.pdb Number of alignments=1180 # 3kezA read from all-align.a2m # found chain 3kezA in template set T0532 147 :RPKYNTQKEVMNFILSDLETAYELFS 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=17809 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1811836782.pdb -s /var/tmp/to_scwrl_1811836782.seq -o /var/tmp/from_scwrl_1811836782.pdb > /var/tmp/scwrl_1811836782.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1811836782.pdb Number of alignments=1181 # 3kezA read from all-align.a2m # found chain 3kezA in template set T0532 109 :NAYDGLAHFIKAYKIFYMSMEMG 3kezA 134 :NDLKGQALAIRGMALFDLTRIFG T0532 133 :LPYEEALQGELGL 3kezA 157 :YPYLKDNGASLGV T0532 147 :RPKYNTQKEVMNFILSDLETAYELFST 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLSG T0532 176 :DFD 3kezA 208 :DFN T0532 184 :GGSISKWKKAT 3kezA 211 :KGKVNRWAAMT T0532 199 :LKVLMHLSKKESDADLK 3kezA 222 :LLSRVYLYKGEYNEALT Number of specific fragments extracted= 6 number of extra gaps= 0 total=17815 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1768741691.pdb -s /var/tmp/to_scwrl_1768741691.seq -o /var/tmp/from_scwrl_1768741691.pdb > /var/tmp/scwrl_1768741691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1768741691.pdb Number of alignments=1182 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPA 3kezA 317 :KDPKDVRLKILSFDK T0532 305 :G 3kezA 332 :K T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=17840 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1566459201.pdb -s /var/tmp/to_scwrl_1566459201.seq -o /var/tmp/from_scwrl_1566459201.pdb > /var/tmp/scwrl_1566459201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1566459201.pdb Number of alignments=1183 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYY 3kezA 317 :KDPKDVRLKIL T0532 301 :DAYIG 3kezA 328 :SFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=17865 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1066484929.pdb -s /var/tmp/to_scwrl_1066484929.seq -o /var/tmp/from_scwrl_1066484929.pdb > /var/tmp/scwrl_1066484929.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1066484929.pdb Number of alignments=1184 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 24 number of extra gaps= 2 total=17889 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_364923243.pdb -s /var/tmp/to_scwrl_364923243.seq -o /var/tmp/from_scwrl_364923243.pdb > /var/tmp/scwrl_364923243.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_364923243.pdb Number of alignments=1185 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=17914 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1603793180.pdb -s /var/tmp/to_scwrl_1603793180.seq -o /var/tmp/from_scwrl_1603793180.pdb > /var/tmp/scwrl_1603793180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1603793180.pdb Number of alignments=1186 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPA 3kezA 317 :KDPKDVRLKILSFDK T0532 303 :Y 3kezA 332 :K T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=17939 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_841206248.pdb -s /var/tmp/to_scwrl_841206248.seq -o /var/tmp/from_scwrl_841206248.pdb > /var/tmp/scwrl_841206248.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_841206248.pdb Number of alignments=1187 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 304 :IG 3kezA 331 :KK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 26 number of extra gaps= 2 total=17965 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1107515761.pdb -s /var/tmp/to_scwrl_1107515761.seq -o /var/tmp/from_scwrl_1107515761.pdb > /var/tmp/scwrl_1107515761.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1107515761.pdb Number of alignments=1188 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=17990 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_692272838.pdb -s /var/tmp/to_scwrl_692272838.seq -o /var/tmp/from_scwrl_692272838.pdb > /var/tmp/scwrl_692272838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_692272838.pdb Number of alignments=1189 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPA 3kezA 321 :DVRLKILSFDK T0532 305 :G 3kezA 332 :K T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18015 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1707745342.pdb -s /var/tmp/to_scwrl_1707745342.seq -o /var/tmp/from_scwrl_1707745342.pdb > /var/tmp/scwrl_1707745342.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1707745342.pdb Number of alignments=1190 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAK 3kezA 317 :KDPKDVRLKILSFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 24 number of extra gaps= 2 total=18039 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_665364181.pdb -s /var/tmp/to_scwrl_665364181.seq -o /var/tmp/from_scwrl_665364181.pdb > /var/tmp/scwrl_665364181.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_665364181.pdb Number of alignments=1191 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 178 :IDSKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAK 3kezA 321 :DVRLKILSFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18064 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_7315214.pdb -s /var/tmp/to_scwrl_7315214.seq -o /var/tmp/from_scwrl_7315214.pdb > /var/tmp/scwrl_7315214.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_7315214.pdb Number of alignments=1192 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 304 :IG 3kezA 331 :KK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18089 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2015214360.pdb -s /var/tmp/to_scwrl_2015214360.seq -o /var/tmp/from_scwrl_2015214360.pdb > /var/tmp/scwrl_2015214360.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2015214360.pdb Number of alignments=1193 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)L505 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18114 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_158083494.pdb -s /var/tmp/to_scwrl_158083494.seq -o /var/tmp/from_scwrl_158083494.pdb > /var/tmp/scwrl_158083494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158083494.pdb Number of alignments=1194 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPA 3kezA 317 :KDPKDVRLKILSFDK T0532 305 :G 3kezA 332 :K T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18139 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_111419801.pdb -s /var/tmp/to_scwrl_111419801.seq -o /var/tmp/from_scwrl_111419801.pdb > /var/tmp/scwrl_111419801.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_111419801.pdb Number of alignments=1195 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGELG 3kezA 168 :GVPIVKELSTIDS T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 181 :KPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYY 3kezA 317 :KDPKDVRLKIL T0532 301 :DAYIG 3kezA 328 :SFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18164 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_129971650.pdb -s /var/tmp/to_scwrl_129971650.seq -o /var/tmp/from_scwrl_129971650.pdb > /var/tmp/scwrl_129971650.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_129971650.pdb Number of alignments=1196 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 24 number of extra gaps= 2 total=18188 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1176426691.pdb -s /var/tmp/to_scwrl_1176426691.seq -o /var/tmp/from_scwrl_1176426691.pdb > /var/tmp/scwrl_1176426691.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1176426691.pdb Number of alignments=1197 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18213 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_822842053.pdb -s /var/tmp/to_scwrl_822842053.seq -o /var/tmp/from_scwrl_822842053.pdb > /var/tmp/scwrl_822842053.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_822842053.pdb Number of alignments=1198 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPA 3kezA 317 :KDPKDVRLKILSFDK T0532 303 :Y 3kezA 332 :K T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18238 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1236240522.pdb -s /var/tmp/to_scwrl_1236240522.seq -o /var/tmp/from_scwrl_1236240522.pdb > /var/tmp/scwrl_1236240522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1236240522.pdb Number of alignments=1199 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 304 :IG 3kezA 331 :KK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 26 number of extra gaps= 2 total=18264 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1457541757.pdb -s /var/tmp/to_scwrl_1457541757.seq -o /var/tmp/from_scwrl_1457541757.pdb > /var/tmp/scwrl_1457541757.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1457541757.pdb Number of alignments=1200 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18289 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_216765524.pdb -s /var/tmp/to_scwrl_216765524.seq -o /var/tmp/from_scwrl_216765524.pdb > /var/tmp/scwrl_216765524.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_216765524.pdb Number of alignments=1201 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPA 3kezA 321 :DVRLKILSFDK T0532 305 :G 3kezA 332 :K T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18314 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1793790519.pdb -s /var/tmp/to_scwrl_1793790519.seq -o /var/tmp/from_scwrl_1793790519.pdb > /var/tmp/scwrl_1793790519.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1793790519.pdb Number of alignments=1202 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAK 3kezA 317 :KDPKDVRLKILSFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 24 number of extra gaps= 2 total=18338 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1381083758.pdb -s /var/tmp/to_scwrl_1381083758.seq -o /var/tmp/from_scwrl_1381083758.pdb > /var/tmp/scwrl_1381083758.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381083758.pdb Number of alignments=1203 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 144 :GLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 178 :IDSKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISK 3kezA 211 :KGKVNR T0532 192 :KATTAFQLKVLMHLSKKES 3kezA 217 :WAAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKFKATG 3kezA 305 :MCITCSFYQLLKKDP T0532 277 :DIRMFYYAKPAK 3kezA 321 :DVRLKILSFDKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18363 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_511110505.pdb -s /var/tmp/to_scwrl_511110505.seq -o /var/tmp/from_scwrl_511110505.pdb > /var/tmp/scwrl_511110505.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_511110505.pdb Number of alignments=1204 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKP 3kezA 317 :KDPKDVRLKILSFD T0532 304 :IG 3kezA 331 :KK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18388 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1626313890.pdb -s /var/tmp/to_scwrl_1626313890.seq -o /var/tmp/from_scwrl_1626313890.pdb > /var/tmp/scwrl_1626313890.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1626313890.pdb Number of alignments=1205 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)Y437 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDIT 3kezA 36 :TSINVLSDIEFTLNGIYSTMQ T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3kezA 59 :DAYSGRLVYYGDVTGDDMQAVSSTKRTGN T0532 80 :NVFGRSGFGG 3kezA 96 :DNGPSSHWSY T0532 90 :YTTLINAQKMVESV 3kezA 107 :YSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGEL 3kezA 168 :GVPIVKELSTID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAKD 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDFN T0532 184 :GGSISKW 3kezA 211 :KGKVNRW T0532 193 :ATTAFQLKVLMHLSKKES 3kezA 218 :AAMTLLSRVYLYKGEYNE T0532 216 :VKERFARIVA 3kezA 236 :ALTMAENAIK T0532 226 :SG 3kezA 250 :EG T0532 228 :SLM 3kezA 253 :ALW T0532 231 :ESNEDNL 3kezA 258 :EEYPTAW T0532 238 :QMKYADKANTVYPFHNTNTKHA 3kezA 281 :VNLTTDSPGKESMGYLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAK 3kezA 317 :KDPKDVRLKILSF T0532 303 :YIG 3kezA 330 :DKK T0532 317 :KAYATEQYSGFNAR 3kezA 333 :YYAYVNKYQPQQGE T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKK 3kezA 347 :NITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNS T0532 373 :IRAHMEFIASNTPD 3kezA 385 :IVQRANPENSVEGK T0532 413 :SGE 3kezA 399 :TLT T0532 420 :IEKILTQRYLASF 3kezA 402 :LENVLDERRKELV T0532 434 :QHP 3kezA 415 :AEG T0532 440 :YYDYRRTGYPVLP 3kezA 420 :MYDVIRNGMTVKR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 444 :KHNTAYMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 25 number of extra gaps= 2 total=18413 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_568605631.pdb -s /var/tmp/to_scwrl_568605631.seq -o /var/tmp/from_scwrl_568605631.pdb > /var/tmp/scwrl_568605631.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_568605631.pdb Number of alignments=1206 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G276 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)D277 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)R490 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGE 3kezA 168 :GVPIVKELSTI T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 213 :DLKVKERFAR 3kezA 240 :AENAIKGAEK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3kezA 250 :EGYALWTNEEYPTAWGNDASASNPGEI T0532 252 :HNTNTKHAGYAMLSTMLID 3kezA 279 :EIVNLTTDSPGKESMGYLN T0532 273 :KAT 3kezA 300 :NGY T0532 278 :IRMFYYAKPAKAKLNE 3kezA 305 :MCITCSFYQLLKKDPK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEF 3kezA 321 :DVRLKILSFDKKYYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPE T0532 411 :QLSGEKEADIEKILTQRYLASFM 3kezA 393 :NSVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 16 number of extra gaps= 2 total=18429 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_820139440.pdb -s /var/tmp/to_scwrl_820139440.seq -o /var/tmp/from_scwrl_820139440.pdb > /var/tmp/scwrl_820139440.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_820139440.pdb Number of alignments=1207 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G276 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)D277 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)R490 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 142 :E 3kezA 179 :D T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEILFEIVNLTTDSPGKESMGYLN T0532 273 :KAT 3kezA 300 :NGY T0532 278 :IRMFYYAKPAKAK 3kezA 305 :MCITCSFYQLLKK T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEF 3kezA 318 :DPKDVRLKILSFDKKYYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPE T0532 411 :QLSGEKEADIEKILTQRYLASFM 3kezA 393 :NSVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 14 number of extra gaps= 2 total=18443 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_927784858.pdb -s /var/tmp/to_scwrl_927784858.seq -o /var/tmp/from_scwrl_927784858.pdb > /var/tmp/scwrl_927784858.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_927784858.pdb Number of alignments=1208 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)R490 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEILFEIVNLTTDSPGKESMGYLN T0532 273 :KATGDIRMFY 3kezA 317 :KDPKDVRLKI T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFI 3kezA 327 :LSFDKKYYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPEN T0532 412 :LSGEKEADIEKILTQRYLASFM 3kezA 394 :SVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQNPGY Number of specific fragments extracted= 12 number of extra gaps= 1 total=18455 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_8078698.pdb -s /var/tmp/to_scwrl_8078698.seq -o /var/tmp/from_scwrl_8078698.pdb > /var/tmp/scwrl_8078698.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_8078698.pdb Number of alignments=1209 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)V498 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 238 :TMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSV T0532 414 :GEKEADIEKILTQRYLASFM 3kezA 396 :EGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQ T0532 494 :GVDD 3kezA 477 :NPGY Number of specific fragments extracted= 16 number of extra gaps= 2 total=18471 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_419879472.pdb -s /var/tmp/to_scwrl_419879472.seq -o /var/tmp/from_scwrl_419879472.pdb > /var/tmp/scwrl_419879472.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_419879472.pdb Number of alignments=1210 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)N499 because last residue in template chain is (3kezA)V481 T0532 30 :PDAT 3kezA 36 :TSIN T0532 36 :VTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 42 :SDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 238 :TMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAK 3kezA 317 :KDPKDVRLKILSFDKK T0532 320 :ATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 333 :YYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQ T0532 495 :VDDV 3kezA 477 :NPGY Number of specific fragments extracted= 17 number of extra gaps= 2 total=18488 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_149949331.pdb -s /var/tmp/to_scwrl_149949331.seq -o /var/tmp/from_scwrl_149949331.pdb > /var/tmp/scwrl_149949331.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_149949331.pdb Number of alignments=1211 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)K500 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKV 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAE T0532 219 :RFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 242 :NAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKH 3kezA 295 :YLNSYNG T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEF 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPE T0532 411 :QLSGEKEADIEKILTQRYLASFM 3kezA 393 :NSVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNM T0532 494 :GVDDVN 3kezA 475 :KQNPGY Number of specific fragments extracted= 16 number of extra gaps= 1 total=18504 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1819915480.pdb -s /var/tmp/to_scwrl_1819915480.seq -o /var/tmp/from_scwrl_1819915480.pdb > /var/tmp/scwrl_1819915480.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1819915480.pdb Number of alignments=1212 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)V498 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEI T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQ T0532 494 :GVDD 3kezA 477 :NPGY Number of specific fragments extracted= 15 number of extra gaps= 2 total=18519 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_41137516.pdb -s /var/tmp/to_scwrl_41137516.seq -o /var/tmp/from_scwrl_41137516.pdb > /var/tmp/scwrl_41137516.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_41137516.pdb Number of alignments=1213 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)N499 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESD 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEA T0532 214 :LKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 237 :LTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQN T0532 496 :DDV 3kezA 478 :PGY Number of specific fragments extracted= 16 number of extra gaps= 2 total=18535 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1716408533.pdb -s /var/tmp/to_scwrl_1716408533.seq -o /var/tmp/from_scwrl_1716408533.pdb > /var/tmp/scwrl_1716408533.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1716408533.pdb Number of alignments=1214 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)K500 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESD 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEA T0532 214 :LKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 237 :LTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDE 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEGKTL T0532 419 :DIEKILTQRYLASFM 3kezA 401 :TLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNM T0532 494 :GVDDVN 3kezA 475 :KQNPGY Number of specific fragments extracted= 17 number of extra gaps= 2 total=18552 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_738916763.pdb -s /var/tmp/to_scwrl_738916763.seq -o /var/tmp/from_scwrl_738916763.pdb > /var/tmp/scwrl_738916763.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_738916763.pdb Number of alignments=1215 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)N499 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKES 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 236 :ALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEE 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEGKTLT T0532 420 :IEKILTQRYLASFM 3kezA 402 :LENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNM T0532 493 :GGVDDV 3kezA 475 :KQNPGY Number of specific fragments extracted= 18 number of extra gaps= 2 total=18570 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_406060759.pdb -s /var/tmp/to_scwrl_406060759.seq -o /var/tmp/from_scwrl_406060759.pdb > /var/tmp/scwrl_406060759.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_406060759.pdb Number of alignments=1216 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)K500 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 238 :TMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDE 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEGKTL T0532 419 :DIEKILTQRYLASFM 3kezA 401 :TLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNM T0532 494 :GVDDVN 3kezA 475 :KQNPGY Number of specific fragments extracted= 17 number of extra gaps= 2 total=18587 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1172718066.pdb -s /var/tmp/to_scwrl_1172718066.seq -o /var/tmp/from_scwrl_1172718066.pdb > /var/tmp/scwrl_1172718066.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1172718066.pdb Number of alignments=1217 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 Warning: unaligning (T0532)N499 because last residue in template chain is (3kezA)V481 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEI T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMK T0532 494 :GVDDV 3kezA 476 :QNPGY Number of specific fragments extracted= 15 number of extra gaps= 2 total=18602 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1580123010.pdb -s /var/tmp/to_scwrl_1580123010.seq -o /var/tmp/from_scwrl_1580123010.pdb > /var/tmp/scwrl_1580123010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1580123010.pdb Number of alignments=1218 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G276 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)D277 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQGE 3kezA 168 :GVPIVKELSTI T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 213 :DLKVKERFAR 3kezA 240 :AENAIKGAEK T0532 225 :ASGSLMESNEDNLQMKYADKANTVYPF 3kezA 250 :EGYALWTNEEYPTAWGNDASASNPGEI T0532 252 :HNTNTKHAGYAMLSTMLID 3kezA 279 :EIVNLTTDSPGKESMGYLN T0532 273 :KAT 3kezA 300 :NGY T0532 278 :IRMFYYAKPAKAKLNE 3kezA 305 :MCITCSFYQLLKKDPK T0532 308 :PSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEF 3kezA 321 :DVRLKILSFDKKYYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPE T0532 411 :QLSGEKEADIEKILTQRYLASFM 3kezA 393 :NSVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQ Number of specific fragments extracted= 16 number of extra gaps= 2 total=18618 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1513576521.pdb -s /var/tmp/to_scwrl_1513576521.seq -o /var/tmp/from_scwrl_1513576521.pdb > /var/tmp/scwrl_1513576521.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1513576521.pdb Number of alignments=1219 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G276 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)D277 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 142 :E 3kezA 179 :D T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEILFEIVNLTTDSPGKESMGYLN T0532 273 :KAT 3kezA 300 :NGY T0532 278 :IRMFYYAKPAKAK 3kezA 305 :MCITCSFYQLLKK T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEF 3kezA 318 :DPKDVRLKILSFDKKYYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPE T0532 411 :QLSGEKEADIEKILTQRYLASFM 3kezA 393 :NSVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQN Number of specific fragments extracted= 14 number of extra gaps= 2 total=18632 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1864990904.pdb -s /var/tmp/to_scwrl_1864990904.seq -o /var/tmp/from_scwrl_1864990904.pdb > /var/tmp/scwrl_1864990904.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1864990904.pdb Number of alignments=1220 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEILFEIVNLTTDSPGKESMGYLN T0532 273 :KATGDIRMFY 3kezA 317 :KDPKDVRLKI T0532 314 :QIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFI 3kezA 327 :LSFDKKYYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPEN T0532 412 :LSGEKEADIEKILTQRYLASFM 3kezA 394 :SVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMKQN Number of specific fragments extracted= 12 number of extra gaps= 1 total=18644 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1140384705.pdb -s /var/tmp/to_scwrl_1140384705.seq -o /var/tmp/from_scwrl_1140384705.pdb > /var/tmp/scwrl_1140384705.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1140384705.pdb Number of alignments=1221 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 238 :TMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIAS 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSV T0532 414 :GEKEADIEKILTQRYLASFM 3kezA 396 :EGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPN Number of specific fragments extracted= 15 number of extra gaps= 2 total=18659 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_31457055.pdb -s /var/tmp/to_scwrl_31457055.seq -o /var/tmp/from_scwrl_31457055.pdb > /var/tmp/scwrl_31457055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_31457055.pdb Number of alignments=1222 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 35 :KVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 41 :LSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 238 :TMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAK 3kezA 317 :KDPKDVRLKILSFDKK T0532 320 :ATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 333 :YYAYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPN Number of specific fragments extracted= 15 number of extra gaps= 2 total=18674 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1872306119.pdb -s /var/tmp/to_scwrl_1872306119.seq -o /var/tmp/from_scwrl_1872306119.pdb > /var/tmp/scwrl_1872306119.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1872306119.pdb Number of alignments=1223 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKV 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAE T0532 219 :RFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 242 :NAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKH 3kezA 295 :YLNSYNG T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEF 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPE T0532 411 :QLSGEKEADIEKILTQRYLASFM 3kezA 393 :NSVEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNM Number of specific fragments extracted= 15 number of extra gaps= 1 total=18689 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1008115420.pdb -s /var/tmp/to_scwrl_1008115420.seq -o /var/tmp/from_scwrl_1008115420.pdb > /var/tmp/scwrl_1008115420.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1008115420.pdb Number of alignments=1224 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEI T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNMK Number of specific fragments extracted= 14 number of extra gaps= 2 total=18703 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_189540550.pdb -s /var/tmp/to_scwrl_189540550.seq -o /var/tmp/from_scwrl_189540550.pdb > /var/tmp/scwrl_189540550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_189540550.pdb Number of alignments=1225 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESD 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEA T0532 214 :LKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 237 :LTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNM Number of specific fragments extracted= 15 number of extra gaps= 2 total=18718 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1983725920.pdb -s /var/tmp/to_scwrl_1983725920.seq -o /var/tmp/from_scwrl_1983725920.pdb > /var/tmp/scwrl_1983725920.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1983725920.pdb Number of alignments=1226 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESD 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEA T0532 214 :LKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 237 :LTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDE 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEGKTL T0532 419 :DIEKILTQRYLASFM 3kezA 401 :TLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPN Number of specific fragments extracted= 16 number of extra gaps= 2 total=18734 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1138087069.pdb -s /var/tmp/to_scwrl_1138087069.seq -o /var/tmp/from_scwrl_1138087069.pdb > /var/tmp/scwrl_1138087069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1138087069.pdb Number of alignments=1227 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDN 3kezA 126 :DEDE T0532 108 :VNAYDGLAHFIKAYKIFYMSMEMG 3kezA 133 :KNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKES 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNE T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 236 :ALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDEE 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEGKTLT T0532 420 :IEKILTQRYLASFM 3kezA 402 :LENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNL 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANP Number of specific fragments extracted= 17 number of extra gaps= 2 total=18751 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1365967241.pdb -s /var/tmp/to_scwrl_1365967241.seq -o /var/tmp/from_scwrl_1365967241.pdb > /var/tmp/scwrl_1365967241.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1365967241.pdb Number of alignments=1228 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 143 :LG 3kezA 178 :ID T0532 146 :VRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 180 :SKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDA 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEAL T0532 215 :KVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 238 :TMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPG T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIASNTPDE 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENSVEGKTL T0532 419 :DIEKILTQRYLASFM 3kezA 401 :TLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLE 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPN Number of specific fragments extracted= 16 number of extra gaps= 2 total=18767 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_659084326.pdb -s /var/tmp/to_scwrl_659084326.seq -o /var/tmp/from_scwrl_659084326.pdb > /var/tmp/scwrl_659084326.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_659084326.pdb Number of alignments=1229 # 3kezA read from all-align.a2m # found chain 3kezA in template set Warning: unaligning (T0532)D29 because first residue in template chain is (3kezA)E35 Warning: unaligning (T0532)G260 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)D304 Warning: unaligning (T0532)Y261 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)D304 Warning: unaligning (T0532)D438 because of BadResidue code BAD_PEPTIDE in next template residue (3kezA)R419 Warning: unaligning (T0532)V439 because of BadResidue code BAD_PEPTIDE at template residue (3kezA)R419 T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3kezA 36 :TSINVLSDIEFTLNGIYSTMQSSDAYSGRLVYYGDVTGD T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3kezA 86 :GNYYRFNFTKDNGPSSHWSYLYSIIQNCNLILMNV T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3kezA 129 :ETEYKNDLKGQALAIRGMALFDLTRIFG T0532 132 :DLPYEEALQG 3kezA 168 :GVPIVKELST T0532 145 :LVRPKYNTQKEVMNFILSDLETAYELFSTAK 3kezA 179 :DSKPARNTVAECYTEIISDLKNSTELLSGDF T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPF 3kezA 210 :NKGKVNRWAAMTLLSRVYLYKGEYNEALTMAENAIKGAEKEGYALWTNEEYPTAWGNDASASNPGEI T0532 252 :HNTNTKHA 3kezA 295 :YLNSYNGY T0532 262 :AMLSTMLIDKF 3kezA 305 :MCITCSFYQLL T0532 273 :KATGDIRMFYYAKPAKAK 3kezA 317 :KDPKDVRLKILSFDKKYY T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWISGDASAYYKKAIRAHMEFIA 3kezA 335 :AYVNKYQPQQGENITDANIPLIRLSEAYLNAAEAAVQTGDNAKAVKYLNSIVQRANPENS T0532 413 :SGEKEADIEKILTQRYLASFM 3kezA 395 :VEGKTLTLENVLDERRKELVA T0532 436 :PY 3kezA 416 :EG T0532 440 :YYDYRRTGYPVLPINPAT 3kezA 420 :MYDVIRNGMTVKRIDVKD T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEH 3kezA 449 :YMEYDWNFHKILLPIPKKEMDANPNM Number of specific fragments extracted= 14 number of extra gaps= 2 total=18781 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_226843945.pdb -s /var/tmp/to_scwrl_226843945.seq -o /var/tmp/from_scwrl_226843945.pdb > /var/tmp/scwrl_226843945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_226843945.pdb Number of alignments=1230 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)N5 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)K6 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 7 :YISLLLATALLASCDKFDEINT 3l22A 38 :FTSPTRIEATLNGLYAAIKNTG T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNV 3l22A 60 :TKSLMGGKSYLVFDNRGDDVINISNNLVTLFNTYNMNVGITDAENADTWTY T0532 83 :GRSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEM 3l22A 111 :AYLAINKVNTFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLY T0532 131 :GDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 169 :KSVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISKW 3l22A 218 :VTHATQA T0532 193 :ATTAFQLKVLMHLSK 3l22A 225 :AANMLKMRVYMAMNE T0532 213 :DLKVKERFARIVA 3l22A 240 :WDKAITAGELVTG T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTK 3l22A 253 :YSLPEDVTLIYKAPYFSQESIFSLPMADTNI T0532 258 :HAGYAMLSTMLIDKF 3l22A 303 :DTKSGIMSKPDYSLA T0532 276 :GDIRMFYYAKPAK 3l22A 318 :TDKRIIAFKGEKD T0532 314 :QIEKAYA 3l22A 331 :LLMKFTD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVR 3l22A 338 :AKTKLQWVPIFRYAETLLDLAECYAN T0532 360 :WISGDASAYY 3l22A 364 :KAGGEATAKS T0532 370 :KKAIRAHMEFIASNTPD 3l22A 380 :GRSVDAATDPLNIDNLS T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDY 3l22A 416 :GIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLL T0532 499 :NKLM 3l22A 459 :NKDI Number of specific fragments extracted= 17 number of extra gaps= 0 total=18798 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_676025353.pdb -s /var/tmp/to_scwrl_676025353.seq -o /var/tmp/from_scwrl_676025353.pdb > /var/tmp/scwrl_676025353.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_676025353.pdb Number of alignments=1231 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)N5 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)K6 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 7 :YISLLLATALLASCDKFDEINT 3l22A 38 :FTSPTRIEATLNGLYAAIKNTG T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNV 3l22A 60 :TKSLMGGKSYLVFDNRGDDVINISNNLVTLFNTYNMNVGITDAENADTWTY T0532 84 :RSGFGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEM 3l22A 112 :YLAINKVNTFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLY T0532 131 :GDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 169 :KSVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISKW 3l22A 218 :VTHATQA T0532 193 :ATTAFQLKVLMHLSK 3l22A 225 :AANMLKMRVYMAMNE T0532 214 :LKVKERFARIVA 3l22A 241 :DKAITAGELVTG T0532 227 :GSLMESNEDNLQMK 3l22A 253 :YSLPEDVTLIYKAP T0532 241 :YADKANTVYPFHNTNTK 3l22A 278 :MADTNIPNTQQSLAEYY T0532 258 :HAGYAMLSTMLIDKF 3l22A 303 :DTKSGIMSKPDYSLA T0532 276 :GDIRMFYYAKPAK 3l22A 318 :TDKRIIAFKGEKD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVR 3l22A 338 :AKTKLQWVPIFRYAETLLDLAECYAN T0532 361 :ISGDASAYYK 3l22A 364 :KAGGEATAKS T0532 371 :KAIR 3l22A 376 :KQVR T0532 375 :AHMEFIA 3l22A 382 :SVDAATD T0532 382 :SNTP 3l22A 392 :IDNL T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDY 3l22A 416 :GIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLL T0532 499 :N 3l22A 463 :N Number of specific fragments extracted= 19 number of extra gaps= 0 total=18817 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_875849850.pdb -s /var/tmp/to_scwrl_875849850.seq -o /var/tmp/from_scwrl_875849850.pdb > /var/tmp/scwrl_875849850.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_875849850.pdb Number of alignments=1232 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEM 3l22A 120 :TFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLY T0532 131 :GDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 169 :KSVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISKW 3l22A 218 :VTHATQA T0532 193 :ATTAFQLKVLMHLSK 3l22A 225 :AANMLKMRVYMAMNE T0532 213 :DLKVKERFARIVA 3l22A 240 :WDKAITAGELVTG T0532 227 :GSLMESNEDNLQMKYADKANTVYPFHNTNTK 3l22A 253 :YSLPEDVTLIYKAPYFSQESIFSLPMADTNI T0532 258 :HAGYAMLSTMLIDKF 3l22A 303 :DTKSGIMSKPDYSLA T0532 276 :GDIRMFYYAKPAK 3l22A 318 :TDKRIIAFKGEKD T0532 314 :QIEKAYA 3l22A 331 :LLMKFTD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVR 3l22A 338 :AKTKLQWVPIFRYAETLLDLAECYAN T0532 360 :WISGDASAYY 3l22A 364 :KAGGEATAKS T0532 370 :KKAIRAHMEFIASNTPD 3l22A 380 :GRSVDAATDPLNIDNLS T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYN 3l22A 416 :GIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLN Number of specific fragments extracted= 14 number of extra gaps= 0 total=18831 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2020634465.pdb -s /var/tmp/to_scwrl_2020634465.seq -o /var/tmp/from_scwrl_2020634465.pdb > /var/tmp/scwrl_2020634465.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2020634465.pdb Number of alignments=1233 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 49 :ITSSSASKSFIYDELLAKQMAWG 3l22A 60 :TKSLMGGKSYLVFDNRGDDVINI T0532 72 :ESMEDYQYNVFGRSG 3l22A 88 :TLFNTYNMNVGITDA T0532 87 :FGGYTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEM 3l22A 115 :INKVNTFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLY T0532 131 :GDLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 169 :KSVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISKW 3l22A 218 :VTHATQA T0532 193 :ATTAFQLKVLMHLSK 3l22A 225 :AANMLKMRVYMAMNE T0532 214 :LKVKERFARIVA 3l22A 241 :DKAITAGELVTG T0532 227 :GSLMESNEDNLQMK 3l22A 253 :YSLPEDVTLIYKAP T0532 241 :YADKANTVYPFHNTNTK 3l22A 278 :MADTNIPNTQQSLAEYY T0532 258 :HAGYAMLSTMLIDKF 3l22A 303 :DTKSGIMSKPDYSLA T0532 276 :GDIRMFYYAKPAK 3l22A 318 :TDKRIIAFKGEKD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVR 3l22A 338 :AKTKLQWVPIFRYAETLLDLAECYAN T0532 361 :ISGDASAYYK 3l22A 364 :KAGGEATAKS T0532 371 :KAIR 3l22A 376 :KQVR T0532 375 :AHMEFIA 3l22A 382 :SVDAATD T0532 382 :SNTP 3l22A 392 :IDNL T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLE 3l22A 416 :GIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKD Number of specific fragments extracted= 18 number of extra gaps= 0 total=18849 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2057109111.pdb -s /var/tmp/to_scwrl_2057109111.seq -o /var/tmp/from_scwrl_2057109111.pdb > /var/tmp/scwrl_2057109111.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2057109111.pdb Number of alignments=1234 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 1 :MKRINKYISLLLATALLASCDKFDE 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKS T0532 30 :PDATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGR 3l22A 63 :LMGGKSYLVFDNRGDDVINISNNLVTLFNTYNMNVGITDAENADTWTYAYLAINK T0532 90 :YTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3l22A 118 :VNTFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLYPTPYSVNPD T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3l22A 178 :EAGTENNNMPRSTVKQIYEHILSDLENISALDTEV T0532 175 :KD 3l22A 238 :NE T0532 190 :WKKATTAFQLKVL 3l22A 240 :WDKAITAGELVTG T0532 206 :SKKESDADLKV 3l22A 253 :YSLPEDVTLIY T0532 230 :MESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPA 3l22A 267 :YFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIMSKPDYSLATDKRIIA T0532 320 :ATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3l22A 325 :FKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAG T0532 362 :SGDASAYYKKAIRAHMEFIAS 3l22A 368 :EATAKSLLKQVRGRSVDAATD T0532 383 :NTPD 3l22A 393 :DNLS T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRN 3l22A 416 :GIRGIDIMRRGEHFIKVGENETIN T0532 493 :GGVDDVNKLMWILQ 3l22A 440 :VGPSDEKYTWPIPQ Number of specific fragments extracted= 14 number of extra gaps= 0 total=18863 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1386960354.pdb -s /var/tmp/to_scwrl_1386960354.seq -o /var/tmp/from_scwrl_1386960354.pdb > /var/tmp/scwrl_1386960354.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1386960354.pdb Number of alignments=1235 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 1 :MKRINKYISLLLATALLASCDKFDE 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKS T0532 31 :DATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGR 3l22A 64 :MGGKSYLVFDNRGDDVINISNNLVTLFNTYNMNVGITDAENADTWTYAYLAINK T0532 90 :YTTLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3l22A 118 :VNTFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLYPTPYSVNPD T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAK 3l22A 178 :EAGTENNNMPRSTVKQIYEHILSDLENISALDTEVN T0532 177 :FD 3l22A 215 :YT T0532 184 :GGSISKW 3l22A 218 :VTHATQA T0532 193 :ATTAFQLKVLMHLSK 3l22A 225 :AANMLKMRVYMAMNE T0532 214 :LKV 3l22A 241 :DKA T0532 230 :MESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPA 3l22A 267 :YFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIMSKPDYSLATDKRIIA T0532 320 :ATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3l22A 325 :FKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAG T0532 362 :SGDASAYYKKA 3l22A 368 :EATAKSLLKQV T0532 373 :IRAHMEFIA 3l22A 380 :GRSVDAATD T0532 382 :S 3l22A 392 :I T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRN 3l22A 416 :GIRGIDIMRRGEHFIKVGENETIN T0532 493 :GGVDDVNKLMWILQ 3l22A 440 :VGPSDEKYTWPIPQ Number of specific fragments extracted= 16 number of extra gaps= 0 total=18879 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1499464708.pdb -s /var/tmp/to_scwrl_1499464708.seq -o /var/tmp/from_scwrl_1499464708.pdb > /var/tmp/scwrl_1499464708.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1499464708.pdb Number of alignments=1236 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3l22A 120 :TFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLYPTPYSVNPD T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTA 3l22A 178 :EAGTENNNMPRSTVKQIYEHILSDLENISALDTEV T0532 175 :KD 3l22A 238 :NE T0532 190 :WKKATTAFQLKVL 3l22A 240 :WDKAITAGELVTG T0532 206 :SKKESDADLKV 3l22A 253 :YSLPEDVTLIY T0532 230 :MESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPA 3l22A 267 :YFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIMSKPDYSLATDKRIIA T0532 320 :ATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3l22A 325 :FKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAG T0532 362 :SGDASAYYKKAIRAHMEFIAS 3l22A 368 :EATAKSLLKQVRGRSVDAATD T0532 383 :NTPD 3l22A 393 :DNLS T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYN 3l22A 416 :GIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLN Number of specific fragments extracted= 11 number of extra gaps= 0 total=18890 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_478231095.pdb -s /var/tmp/to_scwrl_478231095.seq -o /var/tmp/from_scwrl_478231095.pdb > /var/tmp/scwrl_478231095.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_478231095.pdb Number of alignments=1237 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 92 :TLINAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3l22A 120 :TFLQSLEGAREVAGENYDRYVQEAKFVRALAYYYLNNLYPTPYSVNPD T0532 140 :QGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAK 3l22A 178 :EAGTENNNMPRSTVKQIYEHILSDLENISALDTEVN T0532 177 :FD 3l22A 215 :YT T0532 184 :GGSISKW 3l22A 218 :VTHATQA T0532 193 :ATTAFQLKVLMHLSK 3l22A 225 :AANMLKMRVYMAMNE T0532 214 :LKV 3l22A 241 :DKA T0532 230 :MESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPA 3l22A 267 :YFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIMSKPDYSLATDKRIIA T0532 320 :ATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3l22A 325 :FKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAG T0532 362 :SGDASAYYKKA 3l22A 368 :EATAKSLLKQV T0532 373 :IRAHMEFIA 3l22A 380 :GRSVDAATD T0532 382 :S 3l22A 392 :I T0532 416 :KEADIEKILTQRYLASFMQ 3l22A 397 :GDALKEAIYNEKRLEFIGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYN 3l22A 416 :GIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLN Number of specific fragments extracted= 13 number of extra gaps= 0 total=18903 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_59616148.pdb -s /var/tmp/to_scwrl_59616148.seq -o /var/tmp/from_scwrl_59616148.pdb > /var/tmp/scwrl_59616148.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_59616148.pdb Number of alignments=1238 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 152 :TQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 190 :TVKQIYEHILSDLENISALDTEVNTYTG Number of specific fragments extracted= 1 number of extra gaps= 0 total=18904 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_279765919.pdb -s /var/tmp/to_scwrl_279765919.seq -o /var/tmp/from_scwrl_279765919.pdb > /var/tmp/scwrl_279765919.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_279765919.pdb Number of alignments=1239 # 3l22A read from all-align.a2m # found chain 3l22A in template set T0532 95 :NAQKMVESVSDDNVNAYDGLAHFIKAYKIFYMSM 3l22A 123 :QSLEGAREVAGENYDRYVQEAKFVRALAYYYLNN T0532 130 :MGDLPYE 3l22A 157 :LYPTPYS T0532 137 :EALQGELGLVR 3l22A 173 :LRLTAEAGTEN T0532 148 :PKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 186 :MPRSTVKQIYEHILSDLENISALDTEVNTYTG Number of specific fragments extracted= 4 number of extra gaps= 0 total=18908 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_486309793.pdb -s /var/tmp/to_scwrl_486309793.seq -o /var/tmp/from_scwrl_486309793.pdb > /var/tmp/scwrl_486309793.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_486309793.pdb Number of alignments=1240 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVA 3l22A 243 :AITAGELVTG T0532 228 :SLMESNED 3l22A 254 :SLPEDVTL T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 262 :IYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTP 3l22A 383 :VDAATDP T0532 390 :YHHG 3l22A 390 :LNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 20 number of extra gaps= 0 total=18928 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_479495620.pdb -s /var/tmp/to_scwrl_479495620.seq -o /var/tmp/from_scwrl_479495620.pdb > /var/tmp/scwrl_479495620.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_479495620.pdb Number of alignments=1241 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVASG 3l22A 243 :AITAGELVTGYS T0532 229 :LMESN 3l22A 255 :LPEDV T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 260 :TLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 378 :EFIASNTPD 3l22A 385 :AATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 20 number of extra gaps= 0 total=18948 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_429715251.pdb -s /var/tmp/to_scwrl_429715251.seq -o /var/tmp/from_scwrl_429715251.pdb > /var/tmp/scwrl_429715251.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_429715251.pdb Number of alignments=1242 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVAS 3l22A 243 :AITAGELVTGY T0532 228 :SLMESNE 3l22A 254 :SLPEDVT T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 261 :LIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYY 3l22A 319 :DKRIIAF T0532 312 :FE 3l22A 326 :KG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASNTPDE 3l22A 384 :DAATDPLN T0532 392 :HG 3l22A 392 :ID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 22 number of extra gaps= 0 total=18970 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_158741627.pdb -s /var/tmp/to_scwrl_158741627.seq -o /var/tmp/from_scwrl_158741627.pdb > /var/tmp/scwrl_158741627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_158741627.pdb Number of alignments=1243 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVA 3l22A 243 :AITAGELVTG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHNTNTKHAG 3l22A 265 :APYFSQESIFSLPMADTNIPNTQ T0532 266 :TMLIDKF 3l22A 288 :QSLAEYY T0532 274 :ATG 3l22A 295 :YDG T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQY 3l22A 328 :EKDLLMKF T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTPDEEV 3l22A 383 :VDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 22 number of extra gaps= 0 total=18992 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_520633136.pdb -s /var/tmp/to_scwrl_520633136.seq -o /var/tmp/from_scwrl_520633136.pdb > /var/tmp/scwrl_520633136.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_520633136.pdb Number of alignments=1244 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHNTNTK 3l22A 265 :APYFSQESIFSLPMADTNIP T0532 263 :MLSTMLIDKF 3l22A 285 :NTQQSLAEYY T0532 274 :ATG 3l22A 295 :YDG T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTPDEEV 3l22A 383 :VDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 23 number of extra gaps= 0 total=19015 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2146123784.pdb -s /var/tmp/to_scwrl_2146123784.seq -o /var/tmp/from_scwrl_2146123784.pdb > /var/tmp/scwrl_2146123784.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2146123784.pdb Number of alignments=1245 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLE 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLE T0532 170 :LFSTAKDFDGDPILGGSISK 3l22A 204 :NISALDTEVNTYTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 225 :A 3l22A 251 :T T0532 227 :G 3l22A 252 :G T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHN 3l22A 265 :APYFSQESIFSLPMAD T0532 259 :AGYAMLSTMLIDKFKATG 3l22A 281 :TNIPNTQQSLAEYYYDGK T0532 277 :DIR 3l22A 303 :DTK T0532 301 :DAYIGTDPSLPF 3l22A 306 :SGIMSKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASNTPDEEV 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 24 number of extra gaps= 0 total=19039 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_897658390.pdb -s /var/tmp/to_scwrl_897658390.seq -o /var/tmp/from_scwrl_897658390.pdb > /var/tmp/scwrl_897658390.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_897658390.pdb Number of alignments=1246 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 225 :ASGSLMESNE 3l22A 251 :TGYSLPEDVT T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 261 :LIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 381 :ASNTPDEEV 3l22A 385 :AATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 20 number of extra gaps= 0 total=19059 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_926693895.pdb -s /var/tmp/to_scwrl_926693895.seq -o /var/tmp/from_scwrl_926693895.pdb > /var/tmp/scwrl_926693895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_926693895.pdb Number of alignments=1247 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNE 3l22A 254 :SLPEDVT T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 261 :LIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASN 3l22A 384 :DAAT T0532 388 :EVYHHG 3l22A 388 :DPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 22 number of extra gaps= 0 total=19081 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1171358203.pdb -s /var/tmp/to_scwrl_1171358203.seq -o /var/tmp/from_scwrl_1171358203.pdb > /var/tmp/scwrl_1171358203.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1171358203.pdb Number of alignments=1248 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLE 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLE T0532 170 :LFSTAKDFDGDPILGGSISK 3l22A 204 :NISALDTEVNTYTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLID 3l22A 264 :KAPYFSQESIFSLPMADTNIPNTQQSLAEYYY T0532 274 :ATG 3l22A 296 :DGK T0532 282 :YYAKPA 3l22A 300 :MLIDTK T0532 301 :DAYIGTDPSLPF 3l22A 306 :SGIMSKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTPDEEV 3l22A 383 :VDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 23 number of extra gaps= 0 total=19104 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_330297753.pdb -s /var/tmp/to_scwrl_330297753.seq -o /var/tmp/from_scwrl_330297753.pdb > /var/tmp/scwrl_330297753.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_330297753.pdb Number of alignments=1249 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 133 :GENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDL 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDL T0532 172 :STAKDFDG 3l22A 203 :ENISALDT T0532 180 :DPILGGSISK 3l22A 214 :TYTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFA 3l22A 243 :AITAGE T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNLQMK 3l22A 254 :SLPEDVTLIYKAP T0532 242 :ADKANTVYPFHNTNTKHAGYAML 3l22A 267 :YFSQESIFSLPMADTNIPNTQQS T0532 268 :LIDKFKATG 3l22A 290 :LAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGFN 3l22A 328 :EKDLLMKFTDAK T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRG 3l22A 340 :TKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 378 :EFIASNTPDE 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 23 number of extra gaps= 0 total=19127 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_292786769.pdb -s /var/tmp/to_scwrl_292786769.seq -o /var/tmp/from_scwrl_292786769.pdb > /var/tmp/scwrl_292786769.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_292786769.pdb Number of alignments=1250 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNT T0532 181 :PILGGSISK 3l22A 215 :YTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHN 3l22A 265 :APYFSQESIFSLPMAD T0532 259 :AGYAMLSTMLIDKFKATG 3l22A 281 :TNIPNTQQSLAEYYYDGK T0532 301 :DAYIGTDPSLPF 3l22A 306 :SGIMSKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASNTPDEEV 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 22 number of extra gaps= 0 total=19149 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_888865462.pdb -s /var/tmp/to_scwrl_888865462.seq -o /var/tmp/from_scwrl_888865462.pdb > /var/tmp/scwrl_888865462.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_888865462.pdb Number of alignments=1251 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 264 :KAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 284 :AKPAKAK 3l22A 303 :DTKSGIM T0532 304 :IGTDPSLP 3l22A 310 :SKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 378 :EFIASNTPDE 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 22 number of extra gaps= 0 total=19171 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1470682458.pdb -s /var/tmp/to_scwrl_1470682458.seq -o /var/tmp/from_scwrl_1470682458.pdb > /var/tmp/scwrl_1470682458.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1470682458.pdb Number of alignments=1252 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVA 3l22A 243 :AITAGELVTG T0532 228 :SLMESNED 3l22A 254 :SLPEDVTL T0532 240 :KYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 262 :IYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTP 3l22A 383 :VDAATDP T0532 390 :YHHG 3l22A 390 :LNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 20 number of extra gaps= 0 total=19191 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_324243825.pdb -s /var/tmp/to_scwrl_324243825.seq -o /var/tmp/from_scwrl_324243825.pdb > /var/tmp/scwrl_324243825.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_324243825.pdb Number of alignments=1253 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVASG 3l22A 243 :AITAGELVTGYS T0532 229 :LMESN 3l22A 255 :LPEDV T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 260 :TLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 378 :EFIASNTPD 3l22A 385 :AATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 20 number of extra gaps= 0 total=19211 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_613687934.pdb -s /var/tmp/to_scwrl_613687934.seq -o /var/tmp/from_scwrl_613687934.pdb > /var/tmp/scwrl_613687934.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_613687934.pdb Number of alignments=1254 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVAS 3l22A 243 :AITAGELVTGY T0532 228 :SLMESNE 3l22A 254 :SLPEDVT T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 261 :LIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYY 3l22A 319 :DKRIIAF T0532 312 :FE 3l22A 326 :KG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASNTPDE 3l22A 384 :DAATDPLN T0532 392 :HG 3l22A 392 :ID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 22 number of extra gaps= 0 total=19233 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_331314231.pdb -s /var/tmp/to_scwrl_331314231.seq -o /var/tmp/from_scwrl_331314231.pdb > /var/tmp/scwrl_331314231.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_331314231.pdb Number of alignments=1255 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARIVA 3l22A 243 :AITAGELVTG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHNTNTKHAG 3l22A 265 :APYFSQESIFSLPMADTNIPNTQ T0532 266 :TMLIDKF 3l22A 288 :QSLAEYY T0532 274 :ATG 3l22A 295 :YDG T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQY 3l22A 328 :EKDLLMKF T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTPDEEV 3l22A 383 :VDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 22 number of extra gaps= 0 total=19255 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_513784375.pdb -s /var/tmp/to_scwrl_513784375.seq -o /var/tmp/from_scwrl_513784375.pdb > /var/tmp/scwrl_513784375.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_513784375.pdb Number of alignments=1256 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHNTNTK 3l22A 265 :APYFSQESIFSLPMADTNIP T0532 263 :MLSTMLIDKF 3l22A 285 :NTQQSLAEYY T0532 274 :ATG 3l22A 295 :YDG T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTPDEEV 3l22A 383 :VDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 23 number of extra gaps= 0 total=19278 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_449930207.pdb -s /var/tmp/to_scwrl_449930207.seq -o /var/tmp/from_scwrl_449930207.pdb > /var/tmp/scwrl_449930207.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_449930207.pdb Number of alignments=1257 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLE 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLE T0532 170 :LFSTAKDFDGDPILGGSISK 3l22A 204 :NISALDTEVNTYTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 225 :A 3l22A 251 :T T0532 227 :G 3l22A 252 :G T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHN 3l22A 265 :APYFSQESIFSLPMAD T0532 259 :AGYAMLSTMLIDKFKATG 3l22A 281 :TNIPNTQQSLAEYYYDGK T0532 277 :DIR 3l22A 303 :DTK T0532 301 :DAYIGTDPSLPF 3l22A 306 :SGIMSKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASNTPDEEV 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 24 number of extra gaps= 0 total=19302 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1469401300.pdb -s /var/tmp/to_scwrl_1469401300.seq -o /var/tmp/from_scwrl_1469401300.pdb > /var/tmp/scwrl_1469401300.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1469401300.pdb Number of alignments=1258 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 225 :ASGSLMESNE 3l22A 251 :TGYSLPEDVT T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 261 :LIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 381 :ASNTPDEEV 3l22A 385 :AATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 20 number of extra gaps= 0 total=19322 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1879751616.pdb -s /var/tmp/to_scwrl_1879751616.seq -o /var/tmp/from_scwrl_1879751616.pdb > /var/tmp/scwrl_1879751616.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1879751616.pdb Number of alignments=1259 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNE 3l22A 254 :SLPEDVT T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 261 :LIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGF 3l22A 328 :EKDLLMKFTDA T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 339 :KTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASN 3l22A 384 :DAAT T0532 388 :EVYHHG 3l22A 388 :DPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 22 number of extra gaps= 0 total=19344 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1109014532.pdb -s /var/tmp/to_scwrl_1109014532.seq -o /var/tmp/from_scwrl_1109014532.pdb > /var/tmp/scwrl_1109014532.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1109014532.pdb Number of alignments=1260 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLE 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLE T0532 170 :LFSTAKDFDGDPILGGSISK 3l22A 204 :NISALDTEVNTYTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLID 3l22A 264 :KAPYFSQESIFSLPMADTNIPNTQQSLAEYYY T0532 274 :ATG 3l22A 296 :DGK T0532 282 :YYAKPA 3l22A 300 :MLIDTK T0532 301 :DAYIGTDPSLPF 3l22A 306 :SGIMSKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 379 :FIASNTPDEEV 3l22A 383 :VDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 23 number of extra gaps= 0 total=19367 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1696245246.pdb -s /var/tmp/to_scwrl_1696245246.seq -o /var/tmp/from_scwrl_1696245246.pdb > /var/tmp/scwrl_1696245246.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1696245246.pdb Number of alignments=1261 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 105 :DDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 133 :GENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDL 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDL T0532 172 :STAKDFDG 3l22A 203 :ENISALDT T0532 180 :DPILGGSISK 3l22A 214 :TYTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFA 3l22A 243 :AITAGE T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNLQMK 3l22A 254 :SLPEDVTLIYKAP T0532 242 :ADKANTVYPFHNTNTKHAGYAML 3l22A 267 :YFSQESIFSLPMADTNIPNTQQS T0532 268 :LIDKFKATG 3l22A 290 :LAEYYYDGK T0532 277 :DIRMFYYAK 3l22A 319 :DKRIIAFKG T0532 317 :KAYATEQYSGFN 3l22A 328 :EKDLLMKFTDAK T0532 335 :PSGEPVVRLGYAEQNFILAEAAVRG 3l22A 340 :TKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 378 :EFIASNTPDE 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 23 number of extra gaps= 0 total=19390 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_408293322.pdb -s /var/tmp/to_scwrl_408293322.seq -o /var/tmp/from_scwrl_408293322.pdb > /var/tmp/scwrl_408293322.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_408293322.pdb Number of alignments=1262 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNT T0532 181 :PILGGSISK 3l22A 215 :YTGVTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 238 :QMKYADKANTVYPFHN 3l22A 265 :APYFSQESIFSLPMAD T0532 259 :AGYAMLSTMLIDKFKATG 3l22A 281 :TNIPNTQQSLAEYYYDGK T0532 301 :DAYIGTDPSLPF 3l22A 306 :SGIMSKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 380 :IASNTPDEEV 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 22 number of extra gaps= 0 total=19412 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1984864382.pdb -s /var/tmp/to_scwrl_1984864382.seq -o /var/tmp/from_scwrl_1984864382.pdb > /var/tmp/scwrl_1984864382.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1984864382.pdb Number of alignments=1263 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDIT 3l22A 38 :FTSPTRIEATLNGLYAAIK T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3l22A 62 :SLMGGKSYLVFDNRGDDVINISNNLVTLF T0532 80 :NVFGRSGFGG 3l22A 101 :DAENADTWTY T0532 90 :YTTLINAQKMVESV 3l22A 112 :YLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYTG T0532 184 :GGSISK 3l22A 218 :VTHATQ T0532 192 :KATTAFQLKVLMHLSKKES 3l22A 224 :AAANMLKMRVYMAMNEWDK T0532 216 :VKERFARI 3l22A 243 :AITAGELV T0532 226 :SG 3l22A 251 :TG T0532 228 :SLMESNEDNL 3l22A 254 :SLPEDVTLIY T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 264 :KAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 284 :AKPAKAK 3l22A 303 :DTKSGIM T0532 304 :IGTDPSLP 3l22A 310 :SKPDYSLA T0532 317 :KAYATEQYSGFNAR 3l22A 318 :TDKRIIAFKGEKDL T0532 331 :YTDYPSGEPVVRLGYAEQNFILAEAAVRG 3l22A 336 :TDAKTKLQWVPIFRYAETLLDLAECYANK T0532 360 :WISGDASAYYKK 3l22A 366 :GGEATAKSLLKQ T0532 373 :IRAHM 3l22A 378 :VRGRS T0532 378 :EFIASNTPDE 3l22A 384 :DAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASF 3l22A 394 :NLSGDALKEAIYNEKRLEFI T0532 434 :QHPY 3l22A 414 :GEGI T0532 439 :VYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 418 :RGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 22 number of extra gaps= 0 total=19434 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1569396064.pdb -s /var/tmp/to_scwrl_1569396064.seq -o /var/tmp/from_scwrl_1569396064.pdb > /var/tmp/scwrl_1569396064.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1569396064.pdb Number of alignments=1264 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKAI T0532 216 :VKERFA 3l22A 246 :AGELVT T0532 229 :LMESNEDNLQMKYADKANT 3l22A 252 :GYSLPEDVTLIYKAPYFSQ T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3l22A 271 :ESIFSLPMADTNIPNTQQSLAEYY T0532 276 :GDIRMFYYAKPAKAK 3l22A 295 :YDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 13 number of extra gaps= 0 total=19447 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_317918786.pdb -s /var/tmp/to_scwrl_317918786.seq -o /var/tmp/from_scwrl_317918786.pdb > /var/tmp/scwrl_317918786.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_317918786.pdb Number of alignments=1265 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYT T0532 185 :GSISKWKKATTAFQLKVLMHLSKKES 3l22A 217 :GVTHATQAAANMLKMRVYMAMNEWDK T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3l22A 243 :AITAGELVTGYSLPEDVTLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIMSKPDYSL T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 317 :ATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDE 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASFM 3l22A 394 :NLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 10 number of extra gaps= 0 total=19457 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1224341089.pdb -s /var/tmp/to_scwrl_1224341089.seq -o /var/tmp/from_scwrl_1224341089.pdb > /var/tmp/scwrl_1224341089.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1224341089.pdb Number of alignments=1266 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKER 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKAITAGELVT T0532 229 :LMESNEDNLQMKYADKANTVY 3l22A 252 :GYSLPEDVTLIYKAPYFSQES T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3l22A 273 :IFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 11 number of extra gaps= 0 total=19468 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_921377126.pdb -s /var/tmp/to_scwrl_921377126.seq -o /var/tmp/from_scwrl_921377126.pdb > /var/tmp/scwrl_921377126.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_921377126.pdb Number of alignments=1267 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRM 3l22A 244 :ITAGELVTGYSLPEDVTLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 10 number of extra gaps= 0 total=19478 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_796149881.pdb -s /var/tmp/to_scwrl_796149881.seq -o /var/tmp/from_scwrl_796149881.pdb > /var/tmp/scwrl_796149881.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_796149881.pdb Number of alignments=1268 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLET 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLEN T0532 168 :YELFSTA 3l22A 205 :ISALDTE T0532 175 :KDF 3l22A 213 :NTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3l22A 244 :ITAGELVTGYSLPEDVTLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRM 3l22A 303 :DTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASN 3l22A 369 :ATAKSLLKQVRGRSVDAATDP T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3l22A 390 :LNIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 13 number of extra gaps= 0 total=19491 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1283957237.pdb -s /var/tmp/to_scwrl_1283957237.seq -o /var/tmp/from_scwrl_1283957237.pdb > /var/tmp/scwrl_1283957237.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1283957237.pdb Number of alignments=1269 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKANT 3l22A 249 :LVTGYSLPEDVTLIYKAPYFSQ T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 271 :ESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 280 :MFYYAKPAK 3l22A 299 :IMLIDTKSG T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 308 :IMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASN 3l22A 369 :ATAKSLLKQVRGRSVDAATDP T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3l22A 390 :LNIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI T0532 505 :LQ 3l22A 463 :NK Number of specific fragments extracted= 14 number of extra gaps= 0 total=19505 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1201143044.pdb -s /var/tmp/to_scwrl_1201143044.seq -o /var/tmp/from_scwrl_1201143044.pdb > /var/tmp/scwrl_1201143044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1201143044.pdb Number of alignments=1270 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKANT 3l22A 249 :LVTGYSLPEDVTLIYKAPYFSQ T0532 249 :YPFHNTNTKHAGYAMLSTMLIDK 3l22A 271 :ESIFSLPMADTNIPNTQQSLAEY T0532 275 :TGDIRMFYYAKPAKAK 3l22A 294 :YYDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTP 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLN T0532 411 :QLSGEKEADIEKILTQRYLASFM 3l22A 392 :IDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 13 number of extra gaps= 0 total=19518 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1282459674.pdb -s /var/tmp/to_scwrl_1282459674.seq -o /var/tmp/from_scwrl_1282459674.pdb > /var/tmp/scwrl_1282459674.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1282459674.pdb Number of alignments=1271 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)N485 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAY 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENIS T0532 170 :LFSTA 3l22A 207 :ALDTE T0532 175 :KDF 3l22A 213 :NTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFARI 3l22A 244 :ITAGEL T0532 227 :GSLMESNEDNLQMKYADKANTVY 3l22A 250 :VTGYSLPEDVTLIYKAPYFSQES T0532 251 :FHNTNTKHAGYAMLSTMLIDKF 3l22A 273 :IFSLPMADTNIPNTQQSLAEYY T0532 276 :GDIRMFYYAKPAKA 3l22A 295 :YDGKIMLIDTKSGI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 309 :MSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTP 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLN T0532 411 :QLSGEKEADIEKILTQRYLASFM 3l22A 392 :IDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDIN Number of specific fragments extracted= 15 number of extra gaps= 0 total=19533 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1763452857.pdb -s /var/tmp/to_scwrl_1763452857.seq -o /var/tmp/from_scwrl_1763452857.pdb > /var/tmp/scwrl_1763452857.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1763452857.pdb Number of alignments=1272 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLE 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLE T0532 174 :A 3l22A 204 :N T0532 175 :KDFDG 3l22A 211 :EVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDK T0532 217 :KERFAR 3l22A 243 :AITAGE T0532 226 :SGSLMESNEDNLQMKYADK 3l22A 249 :LVTGYSLPEDVTLIYKAPY T0532 246 :NTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 268 :FSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 282 :YYAKPAKAK 3l22A 299 :IMLIDTKSG T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 308 :IMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASN 3l22A 369 :ATAKSLLKQVRGRSVDAATDP T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3l22A 390 :LNIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI T0532 505 :LQ 3l22A 463 :NK Number of specific fragments extracted= 16 number of extra gaps= 0 total=19549 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1630858295.pdb -s /var/tmp/to_scwrl_1630858295.seq -o /var/tmp/from_scwrl_1630858295.pdb > /var/tmp/scwrl_1630858295.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1630858295.pdb Number of alignments=1273 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 Warning: unaligning (T0532)D497 because last residue in template chain is (3l22A)K464 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 106 :DNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 134 :ENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDL 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDL T0532 172 :ST 3l22A 203 :EN T0532 175 :KDFDG 3l22A 211 :EVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDK T0532 220 :FARIVASGSLMESNEDNLQMKYADKAN 3l22A 243 :AITAGELVTGYSLPEDVTLIYKAPYFS T0532 248 :VYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 270 :QESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 283 :YAKPAKAK 3l22A 299 :IMLIDTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLNI T0532 412 :LSGEKEADIEKILTQRYLASFM 3l22A 393 :DNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNL 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNK T0532 494 :GVD 3l22A 461 :DIN Number of specific fragments extracted= 15 number of extra gaps= 0 total=19564 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1441201301.pdb -s /var/tmp/to_scwrl_1441201301.seq -o /var/tmp/from_scwrl_1441201301.pdb > /var/tmp/scwrl_1441201301.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1441201301.pdb Number of alignments=1274 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNT T0532 183 :LGGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 215 :YTGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKA 3l22A 249 :LVTGYSLPEDVTLIYKAPYF T0532 247 :TVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 269 :SQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 280 :M 3l22A 299 :I T0532 283 :YAKPAKA 3l22A 300 :MLIDTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI T0532 505 :LQ 3l22A 463 :NK Number of specific fragments extracted= 15 number of extra gaps= 0 total=19579 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_136602346.pdb -s /var/tmp/to_scwrl_136602346.seq -o /var/tmp/from_scwrl_136602346.pdb > /var/tmp/scwrl_136602346.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_136602346.pdb Number of alignments=1275 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNT T0532 183 :LGGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 215 :YTGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKANTV 3l22A 249 :LVTGYSLPEDVTLIYKAPYFSQE T0532 250 :PFHNTNTKHAGYAMLSTMLIDKF 3l22A 272 :SIFSLPMADTNIPNTQQSLAEYY T0532 276 :GDIRMFYYAKPAKAK 3l22A 295 :YDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTP 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLN T0532 411 :QLSGEKEADIEKILTQRYLASFM 3l22A 392 :IDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI T0532 505 :LQ 3l22A 463 :NK Number of specific fragments extracted= 14 number of extra gaps= 0 total=19593 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1629498432.pdb -s /var/tmp/to_scwrl_1629498432.seq -o /var/tmp/from_scwrl_1629498432.pdb > /var/tmp/scwrl_1629498432.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1629498432.pdb Number of alignments=1276 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDA 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKAI T0532 216 :VKERFA 3l22A 246 :AGELVT T0532 229 :LMESNEDNLQMKYADKANT 3l22A 252 :GYSLPEDVTLIYKAPYFSQ T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3l22A 271 :ESIFSLPMADTNIPNTQQSLAEYY T0532 276 :GDIRMFYYAKPAKAK 3l22A 295 :YDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 13 number of extra gaps= 0 total=19606 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_191376044.pdb -s /var/tmp/to_scwrl_191376044.seq -o /var/tmp/from_scwrl_191376044.pdb > /var/tmp/scwrl_191376044.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_191376044.pdb Number of alignments=1277 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTYT T0532 185 :GSISKWKKATTAFQLKVLMHLSKKES 3l22A 217 :GVTHATQAAANMLKMRVYMAMNEWDK T0532 217 :KERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3l22A 243 :AITAGELVTGYSLPEDVTLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIMSKPDYSL T0532 312 :FEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 317 :ATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTPDE 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLNID T0532 413 :SGEKEADIEKILTQRYLASFM 3l22A 394 :NLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 10 number of extra gaps= 0 total=19616 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1063296242.pdb -s /var/tmp/to_scwrl_1063296242.seq -o /var/tmp/from_scwrl_1063296242.pdb > /var/tmp/scwrl_1063296242.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1063296242.pdb Number of alignments=1278 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKER 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKAITAGELVT T0532 229 :LMESNEDNLQMKYADKANTVY 3l22A 252 :GYSLPEDVTLIYKAPYFSQES T0532 254 :TNTKHAGYAMLSTMLIDKFKATGDIRMFYYAKPAKAK 3l22A 273 :IFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 11 number of extra gaps= 0 total=19627 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_653372990.pdb -s /var/tmp/to_scwrl_653372990.seq -o /var/tmp/from_scwrl_653372990.pdb > /var/tmp/scwrl_653372990.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_653372990.pdb Number of alignments=1279 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKFKATGDIRM 3l22A 244 :ITAGELVTGYSLPEDVTLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGKIMLIDTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 10 number of extra gaps= 0 total=19637 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_521673797.pdb -s /var/tmp/to_scwrl_521673797.seq -o /var/tmp/from_scwrl_521673797.pdb > /var/tmp/scwrl_521673797.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_521673797.pdb Number of alignments=1280 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLET 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLEN T0532 168 :YELFSTA 3l22A 205 :ISALDTE T0532 175 :KDF 3l22A 213 :NTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFARIVASGSLMESNEDNLQMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3l22A 244 :ITAGELVTGYSLPEDVTLIYKAPYFSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 277 :DIRM 3l22A 303 :DTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASN 3l22A 369 :ATAKSLLKQVRGRSVDAATDP T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3l22A 390 :LNIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 13 number of extra gaps= 0 total=19650 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1356083010.pdb -s /var/tmp/to_scwrl_1356083010.seq -o /var/tmp/from_scwrl_1356083010.pdb > /var/tmp/scwrl_1356083010.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1356083010.pdb Number of alignments=1281 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKANT 3l22A 249 :LVTGYSLPEDVTLIYKAPYFSQ T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 271 :ESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 280 :MFYYAKPAK 3l22A 299 :IMLIDTKSG T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 308 :IMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASN 3l22A 369 :ATAKSLLKQVRGRSVDAATDP T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3l22A 390 :LNIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLE 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKD Number of specific fragments extracted= 13 number of extra gaps= 0 total=19663 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1542238451.pdb -s /var/tmp/to_scwrl_1542238451.seq -o /var/tmp/from_scwrl_1542238451.pdb > /var/tmp/scwrl_1542238451.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1542238451.pdb Number of alignments=1282 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKDF 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKANT 3l22A 249 :LVTGYSLPEDVTLIYKAPYFSQ T0532 249 :YPFHNTNTKHAGYAMLSTMLIDK 3l22A 271 :ESIFSLPMADTNIPNTQQSLAEY T0532 275 :TGDIRMFYYAKPAKAK 3l22A 294 :YYDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTP 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLN T0532 411 :QLSGEKEADIEKILTQRYLASFM 3l22A 392 :IDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLE 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKD Number of specific fragments extracted= 13 number of extra gaps= 0 total=19676 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1992356255.pdb -s /var/tmp/to_scwrl_1992356255.seq -o /var/tmp/from_scwrl_1992356255.pdb > /var/tmp/scwrl_1992356255.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1992356255.pdb Number of alignments=1283 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAY 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENIS T0532 170 :LFSTA 3l22A 207 :ALDTE T0532 175 :KDF 3l22A 213 :NTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFARI 3l22A 244 :ITAGEL T0532 227 :GSLMESNEDNLQMKYADKANTVY 3l22A 250 :VTGYSLPEDVTLIYKAPYFSQES T0532 251 :FHNTNTKHAGYAMLSTMLIDKF 3l22A 273 :IFSLPMADTNIPNTQQSLAEYY T0532 276 :GDIRMFYYAKPAKA 3l22A 295 :YDGKIMLIDTKSGI T0532 304 :IGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 309 :MSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTP 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLN T0532 411 :QLSGEKEADIEKILTQRYLASFM 3l22A 392 :IDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLEH 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKDI Number of specific fragments extracted= 15 number of extra gaps= 0 total=19691 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1680326835.pdb -s /var/tmp/to_scwrl_1680326835.seq -o /var/tmp/from_scwrl_1680326835.pdb > /var/tmp/scwrl_1680326835.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1680326835.pdb Number of alignments=1284 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLE 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLE T0532 174 :A 3l22A 204 :N T0532 175 :KDFDG 3l22A 211 :EVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDK T0532 217 :KERFAR 3l22A 243 :AITAGE T0532 226 :SGSLMESNEDNLQMKYADK 3l22A 249 :LVTGYSLPEDVTLIYKAPY T0532 246 :NTVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 268 :FSQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 282 :YYAKPAKAK 3l22A 299 :IMLIDTKSG T0532 303 :YIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 308 :IMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASN 3l22A 369 :ATAKSLLKQVRGRSVDAATDP T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3l22A 390 :LNIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLE 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKD Number of specific fragments extracted= 15 number of extra gaps= 0 total=19706 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_8442738.pdb -s /var/tmp/to_scwrl_8442738.seq -o /var/tmp/from_scwrl_8442738.pdb > /var/tmp/scwrl_8442738.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_8442738.pdb Number of alignments=1285 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 106 :DNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 134 :ENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDL 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDL T0532 172 :ST 3l22A 203 :EN T0532 175 :KDFDG 3l22A 211 :EVNTY T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKES 3l22A 216 :TGVTHATQAAANMLKMRVYMAMNEWDK T0532 220 :FARIVASGSLMESNEDNLQMKYADKAN 3l22A 243 :AITAGELVTGYSLPEDVTLIYKAPYFS T0532 248 :VYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 270 :QESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 283 :YAKPAKAK 3l22A 299 :IMLIDTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLNI T0532 412 :LSGEKEADIEKILTQRYLASFM 3l22A 393 :DNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYN 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLN Number of specific fragments extracted= 14 number of extra gaps= 0 total=19720 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_176186840.pdb -s /var/tmp/to_scwrl_176186840.seq -o /var/tmp/from_scwrl_176186840.pdb > /var/tmp/scwrl_176186840.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_176186840.pdb Number of alignments=1286 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNT T0532 183 :LGGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 215 :YTGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKA 3l22A 249 :LVTGYSLPEDVTLIYKAPYF T0532 247 :TVYPFHNTNTKHAGYAMLSTMLIDKFKATG 3l22A 269 :SQESIFSLPMADTNIPNTQQSLAEYYYDGK T0532 280 :M 3l22A 299 :I T0532 283 :YAKPAKA 3l22A 300 :MLIDTKS T0532 302 :AYIGTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 307 :GIMSKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNT 3l22A 369 :ATAKSLLKQVRGRSVDAATDPL T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3l22A 391 :NIDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNL 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNK Number of specific fragments extracted= 14 number of extra gaps= 0 total=19734 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_46627563.pdb -s /var/tmp/to_scwrl_46627563.seq -o /var/tmp/from_scwrl_46627563.pdb > /var/tmp/scwrl_46627563.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_46627563.pdb Number of alignments=1287 # 3l22A read from all-align.a2m # found chain 3l22A in template set Warning: unaligning (T0532)P30 because first residue in template chain is (3l22A)D36 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (3l22A)I37 T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQM 3l22A 38 :FTSPTRIEATLNGLYAAIKNTGTKSLMGGKSYLVFDN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3l22A 91 :NTYNMNVGITDAENADTWTYAYLAINKVNTFLQSL T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3l22A 132 :AGENYDRYVQEAKFVRALAYYYLNNLYP T0532 132 :DLPYEEALQGELGLVRPKYNTQKEVMNFILSDLETAYELFSTAKD 3l22A 170 :SVPLRLTAEAGTENNNMPRSTVKQIYEHILSDLENISALDTEVNT T0532 183 :LGGSISKWKKATTAFQLKVLMHLSKKESD 3l22A 215 :YTGVTHATQAAANMLKMRVYMAMNEWDKA T0532 218 :ERFAR 3l22A 244 :ITAGE T0532 226 :SGSLMESNEDNLQMKYADKANTV 3l22A 249 :LVTGYSLPEDVTLIYKAPYFSQE T0532 250 :PFHNTNTKHAGYAMLSTMLIDKF 3l22A 272 :SIFSLPMADTNIPNTQQSLAEYY T0532 276 :GDIRMFYYAKPAKAK 3l22A 295 :YDGKIMLIDTKSGIM T0532 305 :GTDPSLPFEQIEKAYATEQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWIS 3l22A 310 :SKPDYSLATDKRIIAFKGEKDLLMKFTDAKTKLQWVPIFRYAETLLDLAECYANKAGG T0532 363 :GDASAYYKKAIRAHMEFIASNTP 3l22A 369 :ATAKSLLKQVRGRSVDAATDPLN T0532 411 :QLSGEKEADIEKILTQRYLASFM 3l22A 392 :IDNLSGDALKEAIYNEKRLEFIG T0532 436 :PYDVYYDYRRTGYPVLPINPATNRNTMNDRLPMRWMYPKSESDYNLE 3l22A 415 :EGIRGIDIMRRGEHFIKVGENETINVGPSDEKYTWPIPQVELLLNKD Number of specific fragments extracted= 13 number of extra gaps= 0 total=19747 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_458372945.pdb -s /var/tmp/to_scwrl_458372945.seq -o /var/tmp/from_scwrl_458372945.pdb > /var/tmp/scwrl_458372945.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_458372945.pdb Number of alignments=1288 3lewA expands to /projects/compbio/data/pdb/3lew.pdb.gz 3lewA:Skipped atom 111, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 115, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 119, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 121, because occupancy 0.500 <= existing 0.500 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 336, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 340, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 342, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 344, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 363, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 367, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 369, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 444, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 448, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 450, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 452, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 454, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 456, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 572, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 576, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 578, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 580, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 582, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 935, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 939, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 941, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1003, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1007, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1009, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1011, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1013, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1186, because occupancy 0.300 <= existing 0.700 in 3lewA Skipped atom 1190, because occupancy 0.300 <= existing 0.700 in 3lewA Skipped atom 1192, because occupancy 0.300 <= existing 0.700 in 3lewA Skipped atom 1306, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1310, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1312, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1314, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1316, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1318, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1570, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1574, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1576, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1578, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1580, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1582, because occupancy 0.500 <= existing 0.500 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1763, because occupancy 0.330 <= existing 0.340 in 3lewA Skipped atom 1764, because occupancy 0.330 <= existing 0.340 in 3lewA Skipped atom 1768, because occupancy 0.330 <= existing 0.340 in 3lewA Skipped atom 1769, because occupancy 0.330 <= existing 0.340 in 3lewA Skipped atom 1771, because occupancy 0.330 <= existing 0.340 in 3lewA Skipped atom 1772, because occupancy 0.330 <= existing 0.340 in 3lewA Skipped atom 1959, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1963, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1965, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1967, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 1969, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2321, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2325, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2327, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2329, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2331, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2333, because occupancy 0.500 <= existing 0.500 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2482, because occupancy 0.300 <= existing 0.700 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2486, because occupancy 0.300 <= existing 0.700 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2488, because occupancy 0.300 <= existing 0.700 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2490, because occupancy 0.220 <= existing 0.530 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2492, because occupancy 0.300 <= existing 0.700 in 3lewA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2948, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2952, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2954, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2956, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2958, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2960, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2962, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2965, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2969, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2971, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 2973, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3040, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3044, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3046, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3048, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3050, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3052, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3084, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3088, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3090, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3092, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3094, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3279, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3283, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3285, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3287, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3290, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3294, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3296, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3298, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3741, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3745, because occupancy 0.500 <= existing 0.500 in 3lewA Skipped atom 3747, because occupancy 0.500 <= existing 0.500 in 3lewA # 3lewA read from all-align.a2m # adding 3lewA to template set # found chain 3lewA in template set Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)C20 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E316 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)N463 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3lewA)Q460 Warning: unaligning (T0532)R490 because last residue in template chain is (3lewA)K516 T0532 2 :KRINKYISLLLATALLA 3lewA 41 :GDAEKVLNGGWNYLMET T0532 21 :DKFDEINTDPDATTKVTSSLLATG 3lewA 60 :SYANPGYGAMLRANDAMGSDVVLN T0532 55 :SKSFIYDELLAKQMAWGESMEDYQYNVFGRSGFGGYTTLINAQKM 3lewA 84 :SKYGFRTHNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNIDAA T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 129 :EGTQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAK 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETY T0532 180 :DPILGGSISKW 3lewA 214 :VRDAKHKIDNE T0532 193 :ATTAFQLKVLMHLSK 3lewA 225 :VVLGILSRACLYARQ T0532 213 :DLKVKERFARIVASGSLME 3lewA 240 :WEKAKTYSDKLLAKDNYLM T0532 232 :SNEDNLQMKYADKANTVYPFHNTNT 3lewA 271 :DNKEWIWGHAQTNDQSNASYQFHYL T0532 257 :KHAGYAMLSTMLIDKFK 3lewA 302 :SYYYSFNVDPYFRDLFE T0532 275 :TGDIRMFYYAKPAKAKLNE 3lewA 319 :DGDYRKEMLFWATDPGADV T0532 312 :FEQI 3lewA 338 :ESAA T0532 318 :AYATEQYSGFNARYTDY 3lewA 344 :WMRNSKFRFRDIENQLG T0532 339 :PVVRLGYAEQNFILAEAAVRGWI 3lewA 361 :DIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAH 3lewA 384 :PDAINKLNDLKTAR T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFMQ 3lewA 398 :GAKTIHTNLSQQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPI 3lewA 427 :GFSLIDIIRNQQTVVRN T0532 454 :NPATNRNTM 3lewA 447 :EGPIDYIYT T0532 464 :DRLPMRWMYPKSESDY 3lewA 485 :NSKYYLYRITDSEELA T0532 480 :NLEHQNE 3lewA 503 :NLYKDHP T0532 488 :LE 3lewA 514 :YT Number of specific fragments extracted= 23 number of extra gaps= 4 total=19770 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1645588140.pdb -s /var/tmp/to_scwrl_1645588140.seq -o /var/tmp/from_scwrl_1645588140.pdb > /var/tmp/scwrl_1645588140.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1645588140.pdb Number of alignments=1289 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)N463 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3lewA)Q460 Warning: unaligning (T0532)G494 because last residue in template chain is (3lewA)K516 T0532 6 :KYISLLLATALLAS 3lewA 42 :DAEKVLNGGWNYLM T0532 39 :SLLATG 3lewA 78 :SDVVLN T0532 67 :QMAWGESMEDYQ 3lewA 84 :SKYGFRTHNEFS T0532 79 :YNV 3lewA 108 :WLL T0532 89 :GYTTLINAQKMVE 3lewA 111 :AYRVINDCNGVLD T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 129 :EGTQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAK 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETY T0532 180 :DPILGGSISKW 3lewA 214 :VRDAKHKIDNE T0532 193 :ATTAFQLKVLMHLSK 3lewA 225 :VVLGILSRACLYARQ T0532 213 :DLKVKERFARIV 3lewA 240 :WEKAKTYSDKLL T0532 229 :LMESNEDNLQMKYADKANTVYPFHNTNT 3lewA 268 :NSVDNKEWIWGHAQTNDQSNASYQFHYL T0532 257 :KHAGYAMLSTMLIDKFK 3lewA 302 :SYYYSFNVDPYFRDLFE T0532 275 :TGDIRMFYYAKPAKAKLNE 3lewA 319 :DGDYRKEMLFWATDPGADV T0532 319 :YATEQYSGFNA 3lewA 345 :MRNSKFRFRDI T0532 339 :PVVRLGYAEQNFILAEAAVRGWI 3lewA 361 :DIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKA 3lewA 384 :PDAINKLNDL T0532 373 :IRA 3lewA 395 :TAR T0532 416 :KEADIEKILTQRYLASFMQ 3lewA 408 :QQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPI 3lewA 427 :GFSLIDIIRNQQTVVRN T0532 454 :NPATNRNTM 3lewA 447 :EGPIDYIYT T0532 464 :DRLPMRWMYPKSESDYN 3lewA 485 :NSKYYLYRITDSEELAN T0532 481 :LEHQNEALER 3lewA 504 :LYKDHPKLSI T0532 492 :FG 3lewA 514 :YT Number of specific fragments extracted= 25 number of extra gaps= 2 total=19795 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1926379180.pdb -s /var/tmp/to_scwrl_1926379180.seq -o /var/tmp/from_scwrl_1926379180.pdb > /var/tmp/scwrl_1926379180.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1926379180.pdb Number of alignments=1290 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E316 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)N463 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3lewA)Q460 T0532 95 :NAQKM 3lewA 124 :NIDAA T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 129 :EGTQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAK 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETY T0532 180 :DPILGGSISKW 3lewA 214 :VRDAKHKIDNE T0532 193 :ATTAFQLKVLMHLSK 3lewA 225 :VVLGILSRACLYARQ T0532 213 :DLKVKERFARIVASGSLME 3lewA 240 :WEKAKTYSDKLLAKDNYLM T0532 232 :SNEDNLQMKYADKANTVYPFHNTNT 3lewA 271 :DNKEWIWGHAQTNDQSNASYQFHYL T0532 257 :KHAGYAMLSTMLIDKFK 3lewA 302 :SYYYSFNVDPYFRDLFE T0532 275 :TGDIRMFYYAKPAKAKLNE 3lewA 319 :DGDYRKEMLFWATDPGADV T0532 312 :FEQI 3lewA 338 :ESAA T0532 318 :AYATEQYSGFNARYTDY 3lewA 344 :WMRNSKFRFRDIENQLG T0532 339 :PVVRLGYAEQNFILAEAAVRGWI 3lewA 361 :DIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAH 3lewA 384 :PDAINKLNDLKTAR T0532 406 :ETPAIQLSGEKEADIEKILTQRYLASFMQ 3lewA 398 :GAKTIHTNLSQQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPI 3lewA 427 :GFSLIDIIRNQQTVVRN T0532 454 :NPATNRNTM 3lewA 447 :EGPIDYIYT T0532 464 :DRLPMRWMYPKSESDYN 3lewA 485 :NSKYYLYRITDSEELAN Number of specific fragments extracted= 19 number of extra gaps= 3 total=19814 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1567387477.pdb -s /var/tmp/to_scwrl_1567387477.seq -o /var/tmp/from_scwrl_1567387477.pdb > /var/tmp/scwrl_1567387477.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1567387477.pdb Number of alignments=1291 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)N463 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (3lewA)Q460 T0532 55 :SKSFIYDELLAKQMAWGESMEDY 3lewA 67 :GAMLRANDAMGSDVVLNSKYGFR T0532 78 :QYNVFGRSG 3lewA 93 :EFSAIYGKG T0532 87 :FG 3lewA 108 :WL T0532 89 :GYTTLINAQKMVE 3lewA 111 :AYRVINDCNGVLD T0532 102 :SVSDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 129 :EGTQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAK 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETY T0532 180 :DPILGGSISKW 3lewA 214 :VRDAKHKIDNE T0532 193 :ATTAFQLKVLMHLSK 3lewA 225 :VVLGILSRACLYARQ T0532 213 :DLKVKERFARIV 3lewA 240 :WEKAKTYSDKLL T0532 229 :LMESNEDNLQMKYADKANTVYPFHNTNT 3lewA 268 :NSVDNKEWIWGHAQTNDQSNASYQFHYL T0532 257 :KHAGYAMLSTMLIDKFK 3lewA 302 :SYYYSFNVDPYFRDLFE T0532 275 :TGDIRMFYYAKPAKAKLNE 3lewA 319 :DGDYRKEMLFWATDPGADV T0532 319 :YATEQYSGFNA 3lewA 345 :MRNSKFRFRDI T0532 339 :PVVRLGYAEQNFILAEAAVRGWI 3lewA 361 :DIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKA 3lewA 384 :PDAINKLNDL T0532 373 :IRA 3lewA 395 :TAR T0532 416 :KEADIEKILTQRYLASFMQ 3lewA 408 :QQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPI 3lewA 427 :GFSLIDIIRNQQTVVRN T0532 454 :NPATNRNTM 3lewA 447 :EGPIDYIYT T0532 464 :DRLPMRWMYPKSESDYN 3lewA 485 :NSKYYLYRITDSEELAN T0532 481 :LEHQN 3lewA 504 :LYKDH Number of specific fragments extracted= 23 number of extra gaps= 2 total=19837 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1194349739.pdb -s /var/tmp/to_scwrl_1194349739.seq -o /var/tmp/from_scwrl_1194349739.pdb > /var/tmp/scwrl_1194349739.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1194349739.pdb Number of alignments=1292 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)K22 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)F23 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)E179 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)M471 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)Q460 T0532 1 :MKRINKYISLLLATALLASCD 3lewA 37 :FGKTGDAEKVLNGGWNYLMET T0532 24 :DEINT 3lewA 60 :SYANP T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGR 3lewA 65 :GYGAMLRANDAMGSDVVLNSKYGFRTHNEFSAIYGKGGTNTLSWLLAYRVIND T0532 90 :YTTLINAQKMVE 3lewA 118 :CNGVLDNIDAAE T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3lewA 130 :GTQADRNRIKGQALALRGFLYLHLASCYSFAIDKDPD T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDAK T0532 185 :GSISKW 3lewA 219 :HKIDNE T0532 191 :KKATTAFQLKVLMHLSKKESD 3lewA 239 :QWEKAKTYSDKLLAKDNYLMT T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHN 3lewA 260 :ESEYKAGFNSVDNKEWIWGHAQTNDQSNASYQFHYLDTTTK T0532 256 :TKHAGYAMLSTMLIDKFKATGDIRMFYY 3lewA 301 :GSYYYSFNVDPYFRDLFEDGDYRKEMLF T0532 307 :DPSLPFEQIEKAY 3lewA 329 :WATDPGADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3lewA 384 :PDAINKLNDLKTARGAKTIHTNLS T0532 416 :KEADIEKILTQRYLASFMQ 3lewA 408 :QQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDR 3lewA 427 :GFSLIDIIRNQQTVVRNAYPEGPIDYIYT T0532 472 :YPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3lewA 461 :THTLKKKTQGHRFFNFPDKSAFCPNSKYYLYRITD Number of specific fragments extracted= 17 number of extra gaps= 3 total=19854 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_187188855.pdb -s /var/tmp/to_scwrl_187188855.seq -o /var/tmp/from_scwrl_187188855.pdb > /var/tmp/scwrl_187188855.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_187188855.pdb Number of alignments=1293 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)K22 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)F23 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)E179 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)M471 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)Q460 T0532 1 :MKRINKYISLLLATALLASCD 3lewA 37 :FGKTGDAEKVLNGGWNYLMET T0532 24 :DEINT 3lewA 60 :SYANP T0532 32 :ATTKVTSSLLATGLLLDITSSSASKSFIYDELLAKQMAWGESMEDYQYNVFGRS 3lewA 65 :GYGAMLRANDAMGSDVVLNSKYGFRTHNEFSAIYGKGGTNTLSWLLAYRVINDC T0532 91 :TTLINAQKMVE 3lewA 119 :NGVLDNIDAAE T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3lewA 130 :GTQADRNRIKGQALALRGFLYLHLASCYSFAIDKDPDA T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPET T0532 177 :FDG 3lewA 215 :RDA T0532 185 :GSISKW 3lewA 219 :HKIDNE T0532 193 :ATTAFQLKVLMHLSK 3lewA 225 :VVLGILSRACLYARQ T0532 213 :DLKVKERFARIVASGSLMES 3lewA 240 :WEKAKTYSDKLLAKDNYLMT T0532 233 :NEDNLQMKYADKANTVY 3lewA 273 :KEWIWGHAQTNDQSNAS T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYY 3lewA 295 :LDTTTKGSYYYSFNVDPYFRDLFEDGDYRKEMLF T0532 307 :DPSLPFEQIEKAY 3lewA 329 :WATDPGADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKA 3lewA 384 :PDAINKLNDL T0532 373 :IRAHMEFI 3lewA 395 :TARGAKTI T0532 382 :SN 3lewA 403 :HT T0532 416 :KEADIEKILTQRYLASFMQ 3lewA 408 :QQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPINPATNRNTMNDR 3lewA 427 :GFSLIDIIRNQQTVVRNAYPEGPIDYIYT T0532 472 :YPKSESDYNLEHQNEALERQFGGVDDVNKLMWILQ 3lewA 461 :THTLKKKTQGHRFFNFPDKSAFCPNSKYYLYRITD Number of specific fragments extracted= 21 number of extra gaps= 3 total=19875 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1404768212.pdb -s /var/tmp/to_scwrl_1404768212.seq -o /var/tmp/from_scwrl_1404768212.pdb > /var/tmp/scwrl_1404768212.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1404768212.pdb Number of alignments=1294 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)E179 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 92 :TLINAQKMVE 3lewA 120 :GVLDNIDAAE T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEAL 3lewA 130 :GTQADRNRIKGQALALRGFLYLHLASCYSFAIDKDPD T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDGD 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDAK T0532 185 :GSISKW 3lewA 219 :HKIDNE T0532 191 :KKATTAFQLKVLMHLSKKESD 3lewA 239 :QWEKAKTYSDKLLAKDNYLMT T0532 213 :DLKVKERFARIVASGSLMESNEDNLQMKYADKANTVYPFHN 3lewA 260 :ESEYKAGFNSVDNKEWIWGHAQTNDQSNASYQFHYLDTTTK T0532 256 :TKHAGYAMLSTMLIDKFKATGDIRMFYY 3lewA 301 :GSYYYSFNVDPYFRDLFEDGDYRKEMLF T0532 307 :DPSLPFEQIEKAY 3lewA 329 :WATDPGADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFIASNTPD 3lewA 384 :PDAINKLNDLKTARGAKTIHTNLS T0532 416 :KEADIEKILTQRYLASFMQ 3lewA 408 :QQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPINP 3lewA 427 :GFSLIDIIRNQQTVVRNAY T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYN 3lewA 477 :PDKSAFCPNSKYYLYRITDSEELAN Number of specific fragments extracted= 14 number of extra gaps= 2 total=19889 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_616262157.pdb -s /var/tmp/to_scwrl_616262157.seq -o /var/tmp/from_scwrl_616262157.pdb > /var/tmp/scwrl_616262157.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_616262157.pdb Number of alignments=1295 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)G141 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)E179 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 94 :INAQKMVE 3lewA 122 :LDNIDAAE T0532 103 :VSDDNVNAYDGLAHFIKAYKIFYMSMEMGDLPYEEALQ 3lewA 130 :GTQADRNRIKGQALALRGFLYLHLASCYSFAIDKDPDA T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTA 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPET T0532 177 :FDG 3lewA 215 :RDA T0532 185 :GSISKW 3lewA 219 :HKIDNE T0532 193 :ATTAFQLKVLMHLSK 3lewA 225 :VVLGILSRACLYARQ T0532 213 :DLKVKERFARIVASGSLMES 3lewA 240 :WEKAKTYSDKLLAKDNYLMT T0532 233 :NEDNLQMKYADKANTVY 3lewA 273 :KEWIWGHAQTNDQSNAS T0532 250 :PFHNTNTKHAGYAMLSTMLIDKFKATGDIRMFYY 3lewA 295 :LDTTTKGSYYYSFNVDPYFRDLFEDGDYRKEMLF T0532 307 :DPSLPFEQIEKAY 3lewA 329 :WATDPGADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKA 3lewA 384 :PDAINKLNDL T0532 373 :IRAHMEFI 3lewA 395 :TARGAKTI T0532 382 :SN 3lewA 403 :HT T0532 416 :KEADIEKILTQRYLASFMQ 3lewA 408 :QQDLLETIWLERRKELWGE T0532 437 :YDVYYDYRRTGYPVLPINP 3lewA 427 :GFSLIDIIRNQQTVVRNAY T0532 456 :ATNRNTMNDRLPMRWMYPKSESDYN 3lewA 477 :PDKSAFCPNSKYYLYRITDSEELAN Number of specific fragments extracted= 18 number of extra gaps= 2 total=19907 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_505107642.pdb -s /var/tmp/to_scwrl_505107642.seq -o /var/tmp/from_scwrl_505107642.pdb > /var/tmp/scwrl_505107642.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_505107642.pdb Number of alignments=1296 # 3lewA read from all-align.a2m # found chain 3lewA in template set T0532 17 :LASCDKF 3lewA 153 :LASCYSF T0532 25 :EINTDPDA 3lewA 160 :AIDKDPDA Number of specific fragments extracted= 2 number of extra gaps= 0 total=19909 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_481625655.pdb -s /var/tmp/to_scwrl_481625655.seq -o /var/tmp/from_scwrl_481625655.pdb > /var/tmp/scwrl_481625655.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_481625655.pdb Number of alignments=1297 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)Y319 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 242 :ADKANTVYPFHNTNTKHAGYAMLSTMLIDKFK 3lewA 283 :NDQSNASYQFHYLDTTTKGSYYYSFNVDPYFR T0532 290 :KLNEGVTADSWDAYIGTDPSLPFEQ 3lewA 315 :DLFEDGDYRKEMLFWATDPGADVES T0532 317 :KA 3lewA 340 :AA T0532 321 :TEQYSGFNARYTDYPSG 3lewA 344 :WMRNSKFRFRDIENQLG Number of specific fragments extracted= 4 number of extra gaps= 1 total=19913 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1537639282.pdb -s /var/tmp/to_scwrl_1537639282.seq -o /var/tmp/from_scwrl_1537639282.pdb > /var/tmp/scwrl_1537639282.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1537639282.pdb Number of alignments=1298 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 238 :QMKYADKANTVYPFHNTNTK 3lewA 281 :QTNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=19940 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1301257522.pdb -s /var/tmp/to_scwrl_1301257522.seq -o /var/tmp/from_scwrl_1301257522.pdb > /var/tmp/scwrl_1301257522.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1301257522.pdb Number of alignments=1299 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)G494 because last residue in template chain is (3lewA)K516 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 271 :DNKEWIW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 283 :NDQSNASYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQFG 3lewA 507 :DHPKLSIYT Number of specific fragments extracted= 25 number of extra gaps= 3 total=19965 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1765582893.pdb -s /var/tmp/to_scwrl_1765582893.seq -o /var/tmp/from_scwrl_1765582893.pdb > /var/tmp/scwrl_1765582893.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1765582893.pdb Number of alignments=1300 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 232 :SNEDNL 3lewA 262 :EYKAGF T0532 240 :KYADKANTVYPFHNTNTK 3lewA 283 :NDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=19992 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_591298681.pdb -s /var/tmp/to_scwrl_591298681.seq -o /var/tmp/from_scwrl_591298681.pdb > /var/tmp/scwrl_591298681.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_591298681.pdb Number of alignments=1301 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNE 3lewA 271 :DNKE T0532 240 :KYADKANTVYPFHNTNTK 3lewA 283 :NDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=20019 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_436233550.pdb -s /var/tmp/to_scwrl_436233550.seq -o /var/tmp/from_scwrl_436233550.pdb > /var/tmp/scwrl_436233550.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_436233550.pdb Number of alignments=1302 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 233 :NEDNL 3lewA 263 :YKAGF T0532 239 :MKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALE 3lewA 510 :KLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=20046 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1381552103.pdb -s /var/tmp/to_scwrl_1381552103.seq -o /var/tmp/from_scwrl_1381552103.pdb > /var/tmp/scwrl_1381552103.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1381552103.pdb Number of alignments=1303 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMED 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGF T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 240 :KYADKANTVYPFHNTNTK 3lewA 283 :NDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFN 3lewA 344 :WMRNSKFRFRD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 355 :IENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=20073 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_74673329.pdb -s /var/tmp/to_scwrl_74673329.seq -o /var/tmp/from_scwrl_74673329.pdb > /var/tmp/scwrl_74673329.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_74673329.pdb Number of alignments=1304 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 289 :SYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 26 number of extra gaps= 3 total=20099 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1877434851.pdb -s /var/tmp/to_scwrl_1877434851.seq -o /var/tmp/from_scwrl_1877434851.pdb > /var/tmp/scwrl_1877434851.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1877434851.pdb Number of alignments=1305 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 239 :MKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=20126 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1518154450.pdb -s /var/tmp/to_scwrl_1518154450.seq -o /var/tmp/from_scwrl_1518154450.pdb > /var/tmp/scwrl_1518154450.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1518154450.pdb Number of alignments=1306 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 239 :MKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=20153 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1704171762.pdb -s /var/tmp/to_scwrl_1704171762.seq -o /var/tmp/from_scwrl_1704171762.pdb > /var/tmp/scwrl_1704171762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1704171762.pdb Number of alignments=1307 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFR T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLME 3lewA 256 :YLMT T0532 232 :SNEDNL 3lewA 262 :EYKAGF T0532 238 :QMKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTKG T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 305 :GTDPSLPFEQIE 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD T0532 487 :ALERQF 3lewA 509 :PKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 27 number of extra gaps= 3 total=20180 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2068810895.pdb -s /var/tmp/to_scwrl_2068810895.seq -o /var/tmp/from_scwrl_2068810895.pdb > /var/tmp/scwrl_2068810895.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2068810895.pdb Number of alignments=1308 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 235 :DNL 3lewA 265 :AGF T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 284 :DQSNASYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 26 number of extra gaps= 3 total=20206 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_433967045.pdb -s /var/tmp/to_scwrl_433967045.seq -o /var/tmp/from_scwrl_433967045.pdb > /var/tmp/scwrl_433967045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_433967045.pdb Number of alignments=1309 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 284 :DQSNASYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFN 3lewA 344 :WMRNSKFRFRD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 355 :IENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLY T0532 485 :NEALERQF 3lewA 507 :DHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 25 number of extra gaps= 3 total=20231 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_210061105.pdb -s /var/tmp/to_scwrl_210061105.seq -o /var/tmp/from_scwrl_210061105.pdb > /var/tmp/scwrl_210061105.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_210061105.pdb Number of alignments=1310 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 238 :QMKYADKANTVYPFHNTNTK 3lewA 281 :QTNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 25 number of extra gaps= 3 total=20256 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_443001045.pdb -s /var/tmp/to_scwrl_443001045.seq -o /var/tmp/from_scwrl_443001045.pdb > /var/tmp/scwrl_443001045.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_443001045.pdb Number of alignments=1311 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 271 :DNKEWIW T0532 238 :QMKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 283 :NDQSNASYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 24 number of extra gaps= 3 total=20280 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1790050055.pdb -s /var/tmp/to_scwrl_1790050055.seq -o /var/tmp/from_scwrl_1790050055.pdb > /var/tmp/scwrl_1790050055.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1790050055.pdb Number of alignments=1312 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 232 :SNEDNL 3lewA 262 :EYKAGF T0532 240 :KYADKANTVYPFHNTNTK 3lewA 283 :NDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 25 number of extra gaps= 3 total=20305 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1752299556.pdb -s /var/tmp/to_scwrl_1752299556.seq -o /var/tmp/from_scwrl_1752299556.pdb > /var/tmp/scwrl_1752299556.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1752299556.pdb Number of alignments=1313 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNE 3lewA 271 :DNKE T0532 240 :KYADKANTVYPFHNTNTK 3lewA 283 :NDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQN 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYK Number of specific fragments extracted= 25 number of extra gaps= 3 total=20330 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_287873654.pdb -s /var/tmp/to_scwrl_287873654.seq -o /var/tmp/from_scwrl_287873654.pdb > /var/tmp/scwrl_287873654.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_287873654.pdb Number of alignments=1314 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 233 :NEDNL 3lewA 263 :YKAGF T0532 239 :MKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQN 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYK Number of specific fragments extracted= 25 number of extra gaps= 3 total=20355 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1322893244.pdb -s /var/tmp/to_scwrl_1322893244.seq -o /var/tmp/from_scwrl_1322893244.pdb > /var/tmp/scwrl_1322893244.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1322893244.pdb Number of alignments=1315 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMED 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGF T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 240 :KYADKANTVYPFHNTNTK 3lewA 283 :NDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFN 3lewA 344 :WMRNSKFRFRD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 355 :IENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 25 number of extra gaps= 3 total=20380 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1760742294.pdb -s /var/tmp/to_scwrl_1760742294.seq -o /var/tmp/from_scwrl_1760742294.pdb > /var/tmp/scwrl_1760742294.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1760742294.pdb Number of alignments=1316 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 244 :KANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 289 :SYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 24 number of extra gaps= 3 total=20404 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_464060494.pdb -s /var/tmp/to_scwrl_464060494.seq -o /var/tmp/from_scwrl_464060494.pdb > /var/tmp/scwrl_464060494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_464060494.pdb Number of alignments=1317 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 239 :MKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 25 number of extra gaps= 3 total=20429 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1369520807.pdb -s /var/tmp/to_scwrl_1369520807.seq -o /var/tmp/from_scwrl_1369520807.pdb > /var/tmp/scwrl_1369520807.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1369520807.pdb Number of alignments=1318 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 231 :ESNEDNL 3lewA 261 :SEYKAGF T0532 239 :MKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTK T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 25 number of extra gaps= 3 total=20454 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_71631592.pdb -s /var/tmp/to_scwrl_71631592.seq -o /var/tmp/from_scwrl_71631592.pdb > /var/tmp/scwrl_71631592.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_71631592.pdb Number of alignments=1319 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFR T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLME 3lewA 256 :YLMT T0532 232 :SNEDNL 3lewA 262 :EYKAGF T0532 238 :QMKYADKANTVYPFHNTNTK 3lewA 282 :TNDQSNASYQFHYLDTTTKG T0532 258 :HAGYAMLSTMLIDKF 3lewA 303 :YYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 305 :GTDPSLPFEQIE 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 25 number of extra gaps= 3 total=20479 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_2109648634.pdb -s /var/tmp/to_scwrl_2109648634.seq -o /var/tmp/from_scwrl_2109648634.pdb > /var/tmp/scwrl_2109648634.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_2109648634.pdb Number of alignments=1320 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 235 :DNL 3lewA 265 :AGF T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 284 :DQSNASYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFNA 3lewA 344 :WMRNSKFRFRDI T0532 334 :YPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 356 :ENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 24 number of extra gaps= 3 total=20503 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1148416340.pdb -s /var/tmp/to_scwrl_1148416340.seq -o /var/tmp/from_scwrl_1148416340.pdb > /var/tmp/scwrl_1148416340.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1148416340.pdb Number of alignments=1321 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)E313 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)K317 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDIT 3lewA 38 :GKTGDAEKVLNGGWNYLM T0532 51 :SSSASKSFIYDELLAKQMAWGESMEDYQY 3lewA 63 :NPGYGAMLRANDAMGSDVVLNSKYGFRTH T0532 80 :NVFGRSGFGG 3lewA 101 :GGTNTLSWLL T0532 90 :YTTLINAQKMVESV 3lewA 112 :YRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSISK 3lewA 218 :KHKIDN T0532 192 :KATTAFQLKVLMHLSKKES 3lewA 224 :EVVLGILSRACLYARQWEK T0532 216 :VKERFARIVASG 3lewA 243 :AKTYSDKLLAKD T0532 228 :SLM 3lewA 256 :YLM T0532 239 :MKYADKANTVYPFHNTNTKHAGYAMLSTMLIDKF 3lewA 284 :DQSNASYQFHYLDTTTKGSYYYSFNVDPYFRDLF T0532 274 :ATGDIRMFYYAK 3lewA 318 :EDGDYRKEMLFW T0532 301 :DAYIGTDPSLPF 3lewA 330 :ATDPGADVESAA T0532 318 :AYATEQYSGFN 3lewA 344 :WMRNSKFRFRD T0532 333 :DYPSGEPVVRLGYAEQNFILAEAAVRGW 3lewA 355 :IENQLGDIVLMRVAEIYLINAEAKAHLN T0532 362 :SGDASAYYKK 3lewA 383 :DPDAINKLND T0532 373 :IRAHMEFIASNT 3lewA 393 :LKTARGAKTIHT T0532 413 :SGEKEADIEKILTQRYLASF 3lewA 405 :NLSQQDLLETIWLERRKELW T0532 434 :QHPY 3lewA 425 :GEGF T0532 439 :VYYDYRRTGYPVLP 3lewA 429 :SLIDIIRNQQTVVR T0532 453 :INPATNRNTMNDRLPMRWMYPKSESDYNLEHQN 3lewA 474 :FNFPDKSAFCPNSKYYLYRITDSEELANKNLYK Number of specific fragments extracted= 23 number of extra gaps= 3 total=20526 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1639019069.pdb -s /var/tmp/to_scwrl_1639019069.seq -o /var/tmp/from_scwrl_1639019069.pdb > /var/tmp/scwrl_1639019069.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1639019069.pdb Number of alignments=1322 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKV 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSD T0532 219 :RFAR 3lewA 249 :KLLA T0532 225 :ASGSLMESNEDNLQMKYADKANT 3lewA 253 :KDNYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNEGV 3lewA 317 :FEDGDYRKEMLFWATDPGADVES T0532 318 :AY 3lewA 340 :AA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDHPKLS T0532 498 :VNK 3lewA 513 :IYT Number of specific fragments extracted= 19 number of extra gaps= 4 total=20545 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1156514727.pdb -s /var/tmp/to_scwrl_1156514727.seq -o /var/tmp/from_scwrl_1156514727.pdb > /var/tmp/scwrl_1156514727.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1156514727.pdb Number of alignments=1323 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDHPKLS Number of specific fragments extracted= 17 number of extra gaps= 4 total=20562 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1335605196.pdb -s /var/tmp/to_scwrl_1335605196.seq -o /var/tmp/from_scwrl_1335605196.pdb > /var/tmp/scwrl_1335605196.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1335605196.pdb Number of alignments=1324 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLN 3lewA 317 :FEDGDYRKEMLFWATDPGAD T0532 315 :IEKAY 3lewA 337 :VESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVL 3lewA 426 :EGFSLIDIIRNQQTVV T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALERQFG 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDHPKLSIY T0532 505 :LQ 3lewA 515 :TK Number of specific fragments extracted= 18 number of extra gaps= 4 total=20580 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_896303635.pdb -s /var/tmp/to_scwrl_896303635.seq -o /var/tmp/from_scwrl_896303635.pdb > /var/tmp/scwrl_896303635.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_896303635.pdb Number of alignments=1325 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)L501 because last residue in template chain is (3lewA)K516 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKD T0532 493 :GGVDDVNK 3lewA 508 :HPKLSIYT Number of specific fragments extracted= 18 number of extra gaps= 4 total=20598 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1772776884.pdb -s /var/tmp/to_scwrl_1772776884.seq -o /var/tmp/from_scwrl_1772776884.pdb > /var/tmp/scwrl_1772776884.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1772776884.pdb Number of alignments=1326 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)L501 because last residue in template chain is (3lewA)K516 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRD T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 217 :AKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVL 3lewA 426 :EGFSLIDIIRNQQTVV T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEA 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDH T0532 494 :GVDDVNK 3lewA 509 :PKLSIYT Number of specific fragments extracted= 18 number of extra gaps= 4 total=20616 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1840712838.pdb -s /var/tmp/to_scwrl_1840712838.seq -o /var/tmp/from_scwrl_1840712838.pdb > /var/tmp/scwrl_1840712838.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1840712838.pdb Number of alignments=1327 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNE 3lewA 317 :FEDGDYRKEMLFWATDPGADV T0532 316 :EKAY 3lewA 338 :ESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQN 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYK T0532 494 :GVDDVNKLM 3lewA 507 :DHPKLSIYT Number of specific fragments extracted= 18 number of extra gaps= 4 total=20634 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1377929289.pdb -s /var/tmp/to_scwrl_1377929289.seq -o /var/tmp/from_scwrl_1377929289.pdb > /var/tmp/scwrl_1377929289.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1377929289.pdb Number of alignments=1328 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)L501 because last residue in template chain is (3lewA)K516 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNE 3lewA 317 :FEDGDYRKEMLFWATDPGADV T0532 316 :EKAY 3lewA 338 :ESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEA 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDH T0532 494 :GVDDVNK 3lewA 509 :PKLSIYT Number of specific fragments extracted= 18 number of extra gaps= 4 total=20652 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1162932520.pdb -s /var/tmp/to_scwrl_1162932520.seq -o /var/tmp/from_scwrl_1162932520.pdb > /var/tmp/scwrl_1162932520.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1162932520.pdb Number of alignments=1329 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)K500 because last residue in template chain is (3lewA)K516 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKA T0532 214 :LKVKERFAR 3lewA 244 :KTYSDKLLA T0532 225 :ASGSLMESNEDNLQMKYADKANT 3lewA 253 :KDNYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLN 3lewA 317 :FEDGDYRKEMLFWATDPGAD T0532 315 :IEKAY 3lewA 337 :VESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVL 3lewA 426 :EGFSLIDIIRNQQTVV T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALER 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDHPKL T0532 496 :DDVN 3lewA 512 :SIYT Number of specific fragments extracted= 19 number of extra gaps= 4 total=20671 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_994486714.pdb -s /var/tmp/to_scwrl_994486714.seq -o /var/tmp/from_scwrl_994486714.pdb > /var/tmp/scwrl_994486714.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_994486714.pdb Number of alignments=1330 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKA T0532 214 :LKVKERFAR 3lewA 244 :KTYSDKLLA T0532 225 :ASGSLMESNEDNLQMKYADKANT 3lewA 253 :KDNYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNEGV 3lewA 317 :FEDGDYRKEMLFWATDPGADVES T0532 318 :AY 3lewA 340 :AA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLY T0532 493 :GGVDDVN 3lewA 506 :KDHPKLS T0532 503 :WILQ 3lewA 513 :IYTK Number of specific fragments extracted= 20 number of extra gaps= 4 total=20691 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_996028536.pdb -s /var/tmp/to_scwrl_996028536.seq -o /var/tmp/from_scwrl_996028536.pdb > /var/tmp/scwrl_996028536.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_996028536.pdb Number of alignments=1331 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)G144 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)E179 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSIS 3lewA 218 :KHKID T0532 191 :KKATTAFQLKVLMHLSKKES 3lewA 223 :NEVVLGILSRACLYARQWEK T0532 213 :DLKVKERFAR 3lewA 243 :AKTYSDKLLA T0532 226 :SGSLMESNEDNLQMKYADK 3lewA 253 :KDNYLMTESEYKAGFNSVD T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3lewA 272 :NKEWIWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHM 3lewA 384 :PDAINKLNDLKTARG T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3lewA 399 :AKTIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYN 3lewA 479 :KSAFCPNSKYYLYRITDSEELAN T0532 493 :GGVDDVNKLM 3lewA 502 :KNLYKDHPKL Number of specific fragments extracted= 19 number of extra gaps= 4 total=20710 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1754231201.pdb -s /var/tmp/to_scwrl_1754231201.seq -o /var/tmp/from_scwrl_1754231201.pdb > /var/tmp/scwrl_1754231201.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1754231201.pdb Number of alignments=1332 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLN 3lewA 317 :FEDGDYRKEMLFWATDPGAD T0532 315 :IEKAY 3lewA 337 :VESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKD T0532 493 :GGVDDVNK 3lewA 508 :HPKLSIYT Number of specific fragments extracted= 18 number of extra gaps= 4 total=20728 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1430720264.pdb -s /var/tmp/to_scwrl_1430720264.seq -o /var/tmp/from_scwrl_1430720264.pdb > /var/tmp/scwrl_1430720264.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1430720264.pdb Number of alignments=1333 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 Warning: unaligning (T0532)L501 because last residue in template chain is (3lewA)K516 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 134 :PYEEA 3lewA 171 :PIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 218 :KHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNE 3lewA 317 :FEDGDYRKEMLFWATDPGADV T0532 316 :EKAY 3lewA 338 :ESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKD T0532 493 :GGVDDVNK 3lewA 508 :HPKLSIYT Number of specific fragments extracted= 18 number of extra gaps= 4 total=20746 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_230096993.pdb -s /var/tmp/to_scwrl_230096993.seq -o /var/tmp/from_scwrl_230096993.pdb > /var/tmp/scwrl_230096993.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_230096993.pdb Number of alignments=1334 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKV 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSD T0532 219 :RFAR 3lewA 249 :KLLA T0532 225 :ASGSLMESNEDNLQMKYADKANT 3lewA 253 :KDNYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNEGV 3lewA 317 :FEDGDYRKEMLFWATDPGADVES T0532 318 :AY 3lewA 340 :AA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEA 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDH Number of specific fragments extracted= 18 number of extra gaps= 4 total=20764 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1828904530.pdb -s /var/tmp/to_scwrl_1828904530.seq -o /var/tmp/from_scwrl_1828904530.pdb > /var/tmp/scwrl_1828904530.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1828904530.pdb Number of alignments=1335 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALER 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDHPKL Number of specific fragments extracted= 17 number of extra gaps= 4 total=20781 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1160671468.pdb -s /var/tmp/to_scwrl_1160671468.seq -o /var/tmp/from_scwrl_1160671468.pdb > /var/tmp/scwrl_1160671468.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1160671468.pdb Number of alignments=1336 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLN 3lewA 317 :FEDGDYRKEMLFWATDPGAD T0532 315 :IEKAY 3lewA 337 :VESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVL 3lewA 426 :EGFSLIDIIRNQQTVV T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNEALE 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKDHPK Number of specific fragments extracted= 17 number of extra gaps= 4 total=20798 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1748251443.pdb -s /var/tmp/to_scwrl_1748251443.seq -o /var/tmp/from_scwrl_1748251443.pdb > /var/tmp/scwrl_1748251443.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1748251443.pdb Number of alignments=1337 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLY Number of specific fragments extracted= 17 number of extra gaps= 4 total=20815 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1385592645.pdb -s /var/tmp/to_scwrl_1385592645.seq -o /var/tmp/from_scwrl_1385592645.pdb > /var/tmp/scwrl_1385592645.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1385592645.pdb Number of alignments=1338 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 132 :DLPYEEA 3lewA 169 :CAPIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFD 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRD T0532 185 :GSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 217 :AKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVL 3lewA 426 :EGFSLIDIIRNQQTVV T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 17 number of extra gaps= 4 total=20832 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1081998717.pdb -s /var/tmp/to_scwrl_1081998717.seq -o /var/tmp/from_scwrl_1081998717.pdb > /var/tmp/scwrl_1081998717.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1081998717.pdb Number of alignments=1339 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNE 3lewA 317 :FEDGDYRKEMLFWATDPGADV T0532 316 :EKAY 3lewA 338 :ESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLY Number of specific fragments extracted= 17 number of extra gaps= 4 total=20849 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_34734841.pdb -s /var/tmp/to_scwrl_34734841.seq -o /var/tmp/from_scwrl_34734841.pdb > /var/tmp/scwrl_34734841.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_34734841.pdb Number of alignments=1340 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNE 3lewA 317 :FEDGDYRKEMLFWATDPGADV T0532 316 :EKAY 3lewA 338 :ESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLY Number of specific fragments extracted= 17 number of extra gaps= 4 total=20866 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1595653750.pdb -s /var/tmp/to_scwrl_1595653750.seq -o /var/tmp/from_scwrl_1595653750.pdb > /var/tmp/scwrl_1595653750.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1595653750.pdb Number of alignments=1341 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKA T0532 214 :LKVKERFAR 3lewA 244 :KTYSDKLLA T0532 225 :ASGSLMESNEDNLQMKYADKANT 3lewA 253 :KDNYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLN 3lewA 317 :FEDGDYRKEMLFWATDPGAD T0532 315 :IEKAY 3lewA 337 :VESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVL 3lewA 426 :EGFSLIDIIRNQQTVV T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQNE 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLYKD Number of specific fragments extracted= 18 number of extra gaps= 4 total=20884 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1524999762.pdb -s /var/tmp/to_scwrl_1524999762.seq -o /var/tmp/from_scwrl_1524999762.pdb > /var/tmp/scwrl_1524999762.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1524999762.pdb Number of alignments=1342 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESD 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKA T0532 214 :LKVKERFAR 3lewA 244 :KTYSDKLLA T0532 225 :ASGSLMESNEDNLQMKYADKANT 3lewA 253 :KDNYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNEGV 3lewA 317 :FEDGDYRKEMLFWATDPGADVES T0532 318 :AY 3lewA 340 :AA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLY Number of specific fragments extracted= 18 number of extra gaps= 4 total=20902 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1824784896.pdb -s /var/tmp/to_scwrl_1824784896.seq -o /var/tmp/from_scwrl_1824784896.pdb > /var/tmp/scwrl_1824784896.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1824784896.pdb Number of alignments=1343 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)G144 because of BadResidue code TOO_FEW_ATOMS+CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (3lewA)E179 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 184 :GGSIS 3lewA 218 :KHKID T0532 191 :KKATTAFQLKVLMHLSKKES 3lewA 223 :NEVVLGILSRACLYARQWEK T0532 213 :DLKVKERFAR 3lewA 243 :AKTYSDKLLA T0532 226 :SGSLMESNEDNLQMKYADK 3lewA 253 :KDNYLMTESEYKAGFNSVD T0532 249 :YPFHNTNTKHAGYAMLSTMLIDKF 3lewA 272 :NKEWIWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAK 3lewA 317 :FEDGDYRKEMLFWATDPG T0532 313 :EQIEKAY 3lewA 335 :ADVESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHM 3lewA 384 :PDAINKLNDLKTARG T0532 407 :TPAIQLSGEKEADIEKILTQRYLASFM 3lewA 399 :AKTIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYN 3lewA 479 :KSAFCPNSKYYLYRITDSEELAN Number of specific fragments extracted= 18 number of extra gaps= 4 total=20920 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1200469659.pdb -s /var/tmp/to_scwrl_1200469659.seq -o /var/tmp/from_scwrl_1200469659.pdb > /var/tmp/scwrl_1200469659.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1200469659.pdb Number of alignments=1344 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 133 :LPYEEA 3lewA 170 :APIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDF 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVR T0532 184 :GGSISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 216 :DAKHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLN 3lewA 317 :FEDGDYRKEMLFWATDPGAD T0532 315 :IEKAY 3lewA 337 :VESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEF 3lewA 384 :PDAINKLNDLKTARGAK T0532 409 :AIQLSGEKEADIEKILTQRYLASFM 3lewA 401 :TIHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLY Number of specific fragments extracted= 17 number of extra gaps= 4 total=20937 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1812873416.pdb -s /var/tmp/to_scwrl_1812873416.seq -o /var/tmp/from_scwrl_1812873416.pdb > /var/tmp/scwrl_1812873416.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1812873416.pdb Number of alignments=1345 # 3lewA read from all-align.a2m # found chain 3lewA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (3lewA)F37 Warning: unaligning (T0532)S53 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)N59 Warning: unaligning (T0532)A54 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)N59 Warning: unaligning (T0532)L139 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)T177 Warning: unaligning (T0532)Q140 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)T177 Warning: unaligning (T0532)L145 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)E184 Warning: unaligning (T0532)V146 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)E184 Warning: unaligning (T0532)A320 because of BadResidue code BAD_PEPTIDE in next template residue (3lewA)V343 Warning: unaligning (T0532)T321 because of BadResidue code BAD_PEPTIDE at template residue (3lewA)V343 T0532 33 :TTKVTSSLLATGLLLDITSS 3lewA 38 :GKTGDAEKVLNGGWNYLMET T0532 55 :SKSFIYDELLAKQM 3lewA 60 :SYANPGYGAMLRAN T0532 69 :AWGESMEDYQYNVFGRSGFGGYTTLINAQKMVESV 3lewA 91 :HNEFSAIYGKGGTNTLSWLLAYRVINDCNGVLDNI T0532 104 :SDDNVNAYDGLAHFIKAYKIFYMSMEMG 3lewA 131 :TQADRNRIKGQALALRGFLYLHLASCYS T0532 134 :PYEEA 3lewA 171 :PIYTQ T0532 142 :ELG 3lewA 180 :TIA T0532 147 :RPKYNTQKEVMNFILSDLETAYELFSTAKDFDG 3lewA 185 :GKPASSVSEVYAQSINDLEEALELIPETYVRDA T0532 186 :SISKWKKATTAFQLKVLMHLSKKESDADLKVKERFAR 3lewA 218 :KHKIDNEVVLGILSRACLYARQWEKAKTYSDKLLAKD T0532 227 :GSLMESNEDNLQMKYADKANT 3lewA 255 :NYLMTESEYKAGFNSVDNKEW T0532 253 :NTNTKHAGYAMLSTMLIDKF 3lewA 276 :IWGHAQTNDQSNASYQFHYL T0532 273 :KATGDIRMFYYAKPAKAKLNE 3lewA 317 :FEDGDYRKEMLFWATDPGADV T0532 316 :EKAY 3lewA 338 :ESAA T0532 322 :EQYSGFNARYTDYPSGEPVVRLGYAEQNFILAEAAVRGWI 3lewA 344 :WMRNSKFRFRDIENQLGDIVLMRVAEIYLINAEAKAHLND T0532 363 :GDASAYYKKAIRAHMEFI 3lewA 384 :PDAINKLNDLKTARGAKT T0532 410 :IQLSGEKEADIEKILTQRYLASFM 3lewA 402 :IHTNLSQQDLLETIWLERRKELWG T0532 436 :PYDVYYDYRRTGYPVLPINPAT 3lewA 426 :EGFSLIDIIRNQQTVVRNAYPE T0532 458 :NRNTMNDRLPMRWMYPKSESDYNLEHQ 3lewA 479 :KSAFCPNSKYYLYRITDSEELANKNLY Number of specific fragments extracted= 17 number of extra gaps= 4 total=20954 # request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1000194494.pdb -s /var/tmp/to_scwrl_1000194494.seq -o /var/tmp/from_scwrl_1000194494.pdb > /var/tmp/scwrl_1000194494.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1000194494.pdb Number of alignments=1346 # command:# Prefix for input files set to # command:CPU_time= 496.487 sec, elapsed time= 37247.990 sec. # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 1346 alignments, # shrinking each end by up to 0.000*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 1347: T0532.try1-al2+all-align.a2m:3ejnA at pool[1229] 232.259 cost/residue, 857 clashes 0.128 breaks # command:# naming current conformation T0532.try1-al3 # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 1346 alignments, # shrinking each end by up to 0.200*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 1347: T0532.try1-al3+all-align.a2m:3ejnA at pool[88] 228.980 cost/residue, 713 clashes 0.121 breaks # command:# naming current conformation T0532.try1-al4 # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 1346 alignments, # shrinking each end by up to 0.300*length and merging fragments shorter than 1 # Each alignment is added to result of previous insertion # best score in alignment pool out of 1347: T0532.try1-al4 228.980 cost/residue, 713 clashes 0.121 breaks # command:# naming current conformation T0532.try1-al5 # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 1346 alignments, # shrinking each end by up to 0.400*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 1347: T0532.try1-al5 228.980 cost/residue, 713 clashes 0.121 breaks # command:# naming current conformation T0532.try1-al6 # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 1346 alignments, # shrinking each end by up to 0.500*length and merging fragments shorter than 1 # Each alignment is added to result of previous insertion # best score in alignment pool out of 1347: T0532.try1-al6 228.980 cost/residue, 713 clashes 0.121 breaks # command:# naming current conformation T0532.try1-al7 # command: # TryAllAlign to optimize cost = # ( 15.000 * wet6.5(6.500, /log(length)) + 5.000 * near_backbone(9.650) + 5.000 * way_back(8.900) + 15.000 * dry5(5.000) + 20.000 * dry6.5(6.500) + 15.000 * dry8(8.000) + 5.000 * dry12(12.000) + 2.000 * phobic_fit + 5.000 * sidechain + 5.000 * n_ca_c + 10.000 * bad_peptide + 5.000 * bystroff + 20.000 * soft_clashes + 2.000 * backbone_clashes + 50.000 * break + 3.000 * pred_alpha2k + 3.000 * pred_alpha04 + 10.000 * constraints + 5.000 * hbond_geom + 10.000 * hbond_geom_backbone + 50.000 * hbond_geom_beta + 100.000 * hbond_geom_beta_pair + 0.500 * maybe_metal + 1.000 * maybe_ssbond ) # Will try all 1346 alignments, # shrinking each end by up to 0.000*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 1347: T0532.try1-al7 228.980 cost/residue, 713 clashes 0.121 breaks # command:# naming current conformation T0532.try1-al8 # command:# request to SCWRL produces command: ulimit -t 456 ; scwrl4 -t -i /var/tmp/to_scwrl_1633031627.pdb -s /var/tmp/to_scwrl_1633031627.seq -o /var/tmp/from_scwrl_1633031627.pdb > /var/tmp/scwrl_1633031627.log # Trying to read SCWRLed conformation from /var/tmp/from_scwrl_1633031627.pdb # conformation set from SCWRL output # command:# naming current conformation T0532.try1 # command:# CostConform T0532.try1 costs 224.980 T0532.try1-al8 costs 228.980 T0532.try1-al7 costs 228.980 T0532.try1-al6 costs 228.980 T0532.try1-al5 costs 228.980 T0532.try1-al4 costs 228.980 T0532.try1-al3 costs 232.259 T0532.try1-al2 costs 257.377 T0532.try1-al1 costs 261.040 T0532 costs 451.083 # command:CPU_time= 2404.991 sec, elapsed time= 39178.335 sec. # command:# Prefix for input files set to # command:# Reading fragments from alignment file # Attempting to read fragment alignments from file T0532.t2k.many.frag with CODEWEIGHT bystroff filtering # adding to alignment library if long or multiple fragments 2bmaA expands to /projects/compbio/data/pdb/2bma.pdb.gz 2bmaA:# T0532 read from T0532.t2k.many.frag # 2bmaA.1.122 read from T0532.t2k.many.frag # adding 2bmaA to template set # found chain 2bmaA in template set T0532 1 :MKRINKYIS 2bmaA 100 :LSIVKFLGF Number of specific fragments extracted= 1 number of extra gaps= 0 total=20955 1n5uA expands to /projects/compbio/data/pdb/1n5u.pdb.gz 1n5uA:# 1n5uA.1.14 read from T0532.t2k.many.frag # adding 1n5uA to template set # found chain 1n5uA in template set T0532 1 :MKRINKYIS 1n5uA 15 :GEENFKALV Number of specific fragments extracted= 1 number of extra gaps= 0 total=20956 1jdhA expands to /projects/compbio/data/pdb/1jdh.pdb.gz 1jdhA:# 1jdhA.1.196 read from T0532.t2k.many.frag # adding 1jdhA to template set # found chain 1jdhA in template set T0532 1 :MKRINKYIS 1jdhA 331 :YTYEKLLWT Number of specific fragments extracted= 1 number of extra gaps= 0 total=20957 1hf8A expands to /projects/compbio/data/pdb/1hf8.pdb.gz 1hf8A:# 1hf8A.1.37 read from T0532.t2k.many.frag # adding 1hf8A to template set # found chain 1hf8A in template set T0532 1 :MKRINKYIS 1hf8A 38 :KKKHLDYLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=20958 1vin expands to /projects/compbio/data/pdb/1vin.pdb.gz 1vin:Warning: there is no chain 1vin will retry with 1vinA # 1vin.1.55 read from T0532.t2k.many.frag # adding 1vin to template set # found chain 1vin in template set Warning: unaligning (T0532)M1 (1vin)K226 because L (left) conformation "forbidden" or filtered. T0532 2 :KRINKYIS 1vin 227 :LQNETLHL Number of specific fragments extracted= 1 number of extra gaps= 1 total=20959 2bptA expands to /projects/compbio/data/pdb/2bpt.pdb.gz 2bptA:# 2bptA.1.342 read from T0532.t2k.many.frag # adding 2bptA to template set # found chain 2bptA in template set Warning: unaligning (T0532)I4 because of BadResidue code BAD_PEPTIDE in next template residue (2bptA)V347 Warning: unaligning (T0532)N5 because of BadResidue code BAD_PEPTIDE at template residue (2bptA)V347 T0532 1 :MKR 2bptA 343 :DDW T0532 6 :KYIS 2bptA 348 :SMSA Number of specific fragments extracted= 2 number of extra gaps= 1 total=20961 # 1yge.1.472 read from T0532.t2k.many.frag # found chain 1yge in training set Warning: unaligning (T0532)M1 (1yge)G473 because S (epsilon) conformation "forbidden" or filtered. T0532 2 :KRINKYIS 1yge 474 :VESTIWLL Number of specific fragments extracted= 1 number of extra gaps= 1 total=20962 # 1nc5A.1.37 read from T0532.t2k.many.frag # found chain 1nc5A in training set Warning: unaligning (T0532)R3 (1nc5A)H40 because Y (epsilon') conformation "forbidden" or filtered. T0532 1 :MK 1nc5A 38 :RW T0532 4 :INKYIS 1nc5A 41 :YHQGVF Number of specific fragments extracted= 2 number of extra gaps= 1 total=20964 1l8aA expands to /projects/compbio/data/pdb/1l8a.pdb.gz 1l8aA:# 1l8aA.1.77 read from T0532.t2k.many.frag # adding 1l8aA to template set # found chain 1l8aA in template set T0532 1 :MKRINKYIS 1l8aA 78 :ERRIRSAIR Number of specific fragments extracted= 1 number of extra gaps= 0 total=20965 1n1bA expands to /projects/compbio/data/pdb/1n1b.pdb.gz 1n1bA:# 1n1bA.1.96 read from T0532.t2k.many.frag # adding 1n1bA to template set # found chain 1n1bA in template set Warning: unaligning (T0532)M1 (1n1bA)E146 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)R3 (1n1bA)M148 because L (left) conformation "forbidden" or filtered. T0532 2 :K 1n1bA 147 :K T0532 4 :INKYIS 1n1bA 149 :DLYFTA Number of specific fragments extracted= 2 number of extra gaps= 2 total=20967 # 1yd0A.1.1 read from T0532.t2k.many.frag # found chain 1yd0A in training set T0532 1 :MKRINKYIS 1yd0A 2 :KEKIRKKIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=20968 # 1n1bA.1.97 read from T0532.t2k.many.frag # found chain 1n1bA in template set Warning: unaligning (T0532)K2 (1n1bA)M148 because L (left) conformation "forbidden" or filtered. T0532 1 :M 1n1bA 147 :K T0532 3 :RINKYIS 1n1bA 149 :DLYFTAL Number of specific fragments extracted= 2 number of extra gaps= 1 total=20970 1otkA expands to /projects/compbio/data/pdb/1otk.pdb.gz 1otkA:# 1otkA.1.1 read from T0532.t2k.many.frag # adding 1otkA to template set # found chain 1otkA in template set T0532 1 :MKRINKYIS 1otkA 2 :GNQLTAYTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=20971 1lshA expands to /projects/compbio/data/pdb/1lsh.pdb.gz 1lshA:Bad short name: OE for alphabet: pdb_atoms Skipped atom 135, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 139, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 141, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 144, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 148, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 150, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 152, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 154, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 157, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 161, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 163, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 220, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 224, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 226, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 228, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 230, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 232, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 234, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 236, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 292, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 296, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 298, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 300, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 302, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 322, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 326, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 328, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 330, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 332, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 334, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 336, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 463, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 467, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 469, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 471, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 473, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 475, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 634, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 638, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 640, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 642, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 644, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 646, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 648, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 670, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 674, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 676, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 678, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 680, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 682, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 773, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 775, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 777, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 779, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 781, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 783, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1071, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1075, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1077, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1079, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1167, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1171, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1173, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1285, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1289, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1291, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1293, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1295, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1297, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1384, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1388, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1390, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1649, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1653, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1655, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1657, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1659, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1760, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1764, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1766, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1768, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1770, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1772, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1860, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1864, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1866, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1868, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1898, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1902, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1904, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1906, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1908, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1910, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1934, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1938, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1940, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 1942, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2169, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2173, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2175, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2177, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2179, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2253, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2257, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2259, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2261, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2263, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2265, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2282, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2286, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2288, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2371, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2375, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2377, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2505, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2509, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2511, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2521, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2525, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2527, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2529, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2531, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2533, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2535, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2538, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2542, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2544, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2546, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2548, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2550, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2625, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2629, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2631, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2633, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2710, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2714, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2716, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2718, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2720, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2770, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2774, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2776, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2778, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2780, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 2782, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3113, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3117, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3119, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3121, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3275, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3279, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3281, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3283, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3285, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3287, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3289, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3291, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3404, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3408, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3410, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3412, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3414, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3428, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3432, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3434, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3436, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3438, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3440, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3703, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3707, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3709, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3726, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3730, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3732, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3734, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3736, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3738, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3740, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3742, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3903, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3907, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3909, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3911, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3913, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 3915, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4063, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4067, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4069, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4071, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4073, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4075, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4077, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4079, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4103, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4107, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4109, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4111, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4113, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4115, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4329, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4333, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4335, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4337, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4415, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4419, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4421, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4504, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4508, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4510, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4512, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4587, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4591, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4593, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4595, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4597, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4599, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4601, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4603, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4641, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4645, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4647, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4649, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4651, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4675, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4679, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4681, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4720, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4724, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4726, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4728, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4730, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4732, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4851, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4855, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4857, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4859, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4883, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4887, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4889, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4904, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4908, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4910, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4912, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 4914, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5146, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5148, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5150, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5152, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5154, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5156, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5158, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5308, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5312, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5314, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5316, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5318, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5320, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5554, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5558, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5560, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5562, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5564, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5566, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5683, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5687, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5689, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5691, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5693, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5695, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5697, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5786, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5790, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5792, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5794, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5796, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 5798, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6012, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6016, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6018, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6020, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6236, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6240, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6242, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6406, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6410, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6412, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6414, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6416, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6418, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6420, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6422, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6540, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6544, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6546, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6548, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6786, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6790, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6792, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6794, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6796, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6798, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6800, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 6802, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7011, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7015, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7017, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7019, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7206, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7210, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7212, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7214, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7216, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7218, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7220, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7222, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7305, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7309, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7311, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7313, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7315, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7317, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7388, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7390, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7392, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7394, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7396, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7398, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7406, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7410, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7412, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7414, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7416, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7418, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7420, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7422, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7481, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7485, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7487, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7489, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7491, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7493, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7495, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7497, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7569, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7573, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7575, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7577, because occupancy 0.500 <= existing 0.500 in 1lshA Skipped atom 7579, because occupancy 0.500 <= existing 0.500 in 1lshA # 1lshA.1.407 read from T0532.t2k.many.frag # adding 1lshA to template set # found chain 1lshA in template set T0532 1 :MKRINKYIS 1lshA 424 :RPILRKTAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=20972 1fp3A expands to /projects/compbio/data/pdb/1fp3.pdb.gz 1fp3A:# 1fp3A.1.0 read from T0532.t2k.many.frag # adding 1fp3A to template set # found chain 1fp3A in template set T0532 1 :MKRINKYIS 1fp3A 1 :MEKERETLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=20973 1repC expands to /projects/compbio/data/pdb/1rep.pdb.gz 1repC:# 1repC.1.30 read from T0532.t2k.many.frag # adding 1repC to template set # found chain 1repC in template set Warning: unaligning (T0532)K2 (1repC)S32 because P (beta_P) conformation "forbidden" or filtered. T0532 1 :M 1repC 31 :L T0532 3 :RINKYIS 1repC 33 :RDQKRML Number of specific fragments extracted= 2 number of extra gaps= 1 total=20975 1hs6A expands to /projects/compbio/data/pdb/1hs6.pdb.gz 1hs6A:# 1hs6A.1.334 read from T0532.t2k.many.frag # adding 1hs6A to template set # found chain 1hs6A in template set Warning: unaligning (T0532)M1 (1hs6A)G334 because S (epsilon) conformation "forbidden" or filtered. T0532 2 :KRINKYIS 1hs6A 335 :EKFRHFNA Number of specific fragments extracted= 1 number of extra gaps= 1 total=20976 1h6kA expands to /projects/compbio/data/pdb/1h6k.pdb.gz 1h6kA:# 1h6kA.1.45 read from T0532.t2k.many.frag # adding 1h6kA to template set # found chain 1h6kA in template set T0532 1 :MKRINKYIS 1h6kA 65 :KSKILRLLC Number of specific fragments extracted= 1 number of extra gaps= 0 total=20977 # 1nzjA.1.16 read from T0532.t2k.many.frag # found chain 1nzjA in training set Warning: unaligning (T0532)M1 (1nzjA)E17 because P (beta_P) conformation "forbidden" or filtered. T0532 2 :KRINKYIS 1nzjA 18 :LHFGSLIA Number of specific fragments extracted= 1 number of extra gaps= 1 total=20978 1otsA expands to /projects/compbio/data/pdb/1ots.pdb.gz 1otsA:# 1otsA.1.169 read from T0532.t2k.many.frag # adding 1otsA to template set # found chain 1otsA in template set Warning: unaligning (T0532)M1 (1otsA)G170 because S (epsilon) conformation "forbidden" or filtered. T0532 2 :KRINKYIS 1otsA 171 :DEARHTLL Number of specific fragments extracted= 1 number of extra gaps= 1 total=20979 # 1h6kA.1.42 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 1 :MKRINKYIS 1h6kA 62 :PNYKSKILR Number of specific fragments extracted= 1 number of extra gaps= 0 total=20980 1e7uA expands to /projects/compbio/data/pdb/1e7u.pdb.gz 1e7uA:# 1e7uA.1.405 read from T0532.t2k.many.frag # adding 1e7uA to template set # found chain 1e7uA in template set T0532 1 :MKRINKYIS 1e7uA 547 :MPNQLRKQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=20981 1di1A expands to /projects/compbio/data/pdb/1di1.pdb.gz 1di1A:# 1di1A.1.57 read from T0532.t2k.many.frag # adding 1di1A to template set # found chain 1di1A in template set T0532 1 :MKRINKYIS 1di1A 97 :LDDRIHFAC Number of specific fragments extracted= 1 number of extra gaps= 0 total=20982 1lki expands to /projects/compbio/data/pdb/1lki.pdb.gz 1lki:Warning: there is no chain 1lki will retry with 1lkiA # 1lki.1.22 read from T0532.t2k.many.frag # adding 1lki to template set # found chain 1lki in template set T0532 1 :MKRINKYIS 1lki 23 :MNQIKNQLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=20983 1yyqA expands to /projects/compbio/data/pdb/1yyq.pdb.gz 1yyqA:# 1yyqA.1.141 read from T0532.t2k.many.frag # adding 1yyqA to template set # found chain 1yyqA in template set T0532 1 :MKRINKYIS 1yyqA 142 :FGPFCSLNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=20984 # 1i6lA.1.118 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 1 :MKRINKYIS 1i6lA 119 :SAGLLTYPP Number of specific fragments extracted= 1 number of extra gaps= 0 total=20985 # 2bptA.1.147 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 1 :MKRINKYIS 2bptA 148 :PENVKRASL Number of specific fragments extracted= 1 number of extra gaps= 0 total=20986 # 1xttA.1.7 read from T0532.t2k.many.frag # found chain 1xttA in training set Warning: unaligning (T0532)M1 (1xttA)K8 because P (beta_P) conformation "forbidden" or filtered. T0532 2 :KRINKYIS 1xttA 9 :PITLHILT Number of specific fragments extracted= 1 number of extra gaps= 1 total=20987 1szqA expands to /projects/compbio/data/pdb/1szq.pdb.gz 1szqA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1szqA.1.137 read from T0532.t2k.many.frag # adding 1szqA to template set # found chain 1szqA in template set Warning: unaligning (T0532)K2 (1szqA)L139 because P (beta_P) conformation "forbidden" or filtered. T0532 1 :M 1szqA 138 :P T0532 3 :RINKYIS 1szqA 140 :TMKQVLT Number of specific fragments extracted= 2 number of extra gaps= 1 total=20989 1zpdA expands to /projects/compbio/data/pdb/1zpd.pdb.gz 1zpdA:Skipped atom 3555, because occupancy 0.500 <= existing 0.500 in 1zpdA Skipped atom 3557, because occupancy 0.500 <= existing 0.500 in 1zpdA Skipped atom 3559, because occupancy 0.500 <= existing 0.500 in 1zpdA Skipped atom 3561, because occupancy 0.500 <= existing 0.500 in 1zpdA Skipped atom 4169, because occupancy 0.400 <= existing 0.600 in 1zpdA Skipped atom 4171, because occupancy 0.400 <= existing 0.600 in 1zpdA Skipped atom 4173, because occupancy 0.400 <= existing 0.600 in 1zpdA Skipped atom 4175, because occupancy 0.400 <= existing 0.600 in 1zpdA # 1zpdA.1.46 read from T0532.t2k.many.frag # adding 1zpdA to template set # found chain 1zpdA in template set Warning: unaligning (T0532)R3 (1zpdA)N49 because Y (epsilon') conformation "forbidden" or filtered. T0532 1 :MK 1zpdA 47 :CC T0532 4 :INKYIS 1zpdA 50 :ELNCGF Number of specific fragments extracted= 2 number of extra gaps= 1 total=20991 # 1n5uA.2.15 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 2 :KRINKYISL 1n5uA 16 :EENFKALVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=20992 # 2bmaA.2.123 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 2 :KRINKYISL 2bmaA 101 :SIVKFLGFE Number of specific fragments extracted= 1 number of extra gaps= 0 total=20993 # 1jdhA.2.197 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 2 :KRINKYISL 1jdhA 332 :TYEKLLWTT Number of specific fragments extracted= 1 number of extra gaps= 0 total=20994 # 2bptA.2.343 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)I4 because of BadResidue code BAD_PEPTIDE in next template residue (2bptA)V347 Warning: unaligning (T0532)N5 because of BadResidue code BAD_PEPTIDE at template residue (2bptA)V347 T0532 2 :KR 2bptA 344 :DW T0532 6 :KYISL 2bptA 348 :SMSAG Number of specific fragments extracted= 2 number of extra gaps= 1 total=20996 # 1yge.2.473 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 2 :KRINKYISL 1yge 474 :VESTIWLLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=20997 # 1vin.2.56 read from T0532.t2k.many.frag # found chain 1vin in template set Warning: unaligning (T0532)K2 (1vin)L227 because P (beta_P) conformation "forbidden" or filtered. T0532 3 :RINKYISL 1vin 228 :QNETLHLA Number of specific fragments extracted= 1 number of extra gaps= 1 total=20998 # 1l8aA.2.78 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 2 :KRINKYISL 1l8aA 79 :RRIRSAIRW Number of specific fragments extracted= 1 number of extra gaps= 0 total=20999 # 1lshA.2.408 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 2 :KRINKYISL 1lshA 425 :PILRKTAVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21000 # 1n1bA.2.97 read from T0532.t2k.many.frag # found chain 1n1bA in template set Warning: unaligning (T0532)R3 (1n1bA)M148 because L (left) conformation "forbidden" or filtered. T0532 2 :K 1n1bA 147 :K T0532 4 :INKYISL 1n1bA 149 :DLYFTAL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21002 # 1otkA.2.2 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 2 :KRINKYISL 1otkA 3 :NQLTAYTLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21003 # 1nc5A.2.38 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 2 :KRINKYISL 1nc5A 39 :WHYHQGVFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21004 # 1hs6A.2.335 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 2 :KRINKYISL 1hs6A 335 :EKFRHFNAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21005 # 1yd0A.2.2 read from T0532.t2k.many.frag # found chain 1yd0A in training set T0532 2 :KRINKYISL 1yd0A 3 :EKIRKKILL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21006 # 1repC.2.31 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 2 :KRINKYISL 1repC 32 :SRDQKRMLY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21007 # 1hf8A.2.38 read from T0532.t2k.many.frag # found chain 1hf8A in template set T0532 2 :KRINKYISL 1hf8A 39 :KKHLDYLIQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21008 # 1h6kA.2.43 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 2 :KRINKYISL 1h6kA 63 :NYKSKILRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21009 # 1otsA.2.170 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 2 :KRINKYISL 1otsA 171 :DEARHTLLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21010 # 1h6kA.2.46 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 2 :KRINKYISL 1h6kA 66 :SKILRLLCT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21011 # 1nzjA.2.17 read from T0532.t2k.many.frag # found chain 1nzjA in training set T0532 2 :KRINKYISL 1nzjA 18 :LHFGSLIAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21012 # 1fp3A.2.1 read from T0532.t2k.many.frag # found chain 1fp3A in template set T0532 2 :KRINKYISL 1fp3A 2 :EKERETLQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21013 # 1nc5A.2.37 read from T0532.t2k.many.frag # found chain 1nc5A in training set Warning: unaligning (T0532)K2 (1nc5A)R38 because E (beta_S) conformation "forbidden" or filtered. T0532 3 :RINKYISL 1nc5A 39 :WHYHQGVF Number of specific fragments extracted= 1 number of extra gaps= 1 total=21014 # 1zpdA.2.47 read from T0532.t2k.many.frag # found chain 1zpdA in template set Warning: unaligning (T0532)R3 (1zpdA)N49 because Y (epsilon') conformation "forbidden" or filtered. T0532 2 :K 1zpdA 48 :C T0532 4 :INKYISL 1zpdA 50 :ELNCGFS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21016 # 1q6zA.2.43 read from T0532.t2k.many.frag # found chain 1q6zA in training set Warning: unaligning (T0532)R3 (1q6zA)L45 because G (3-10) conformation "forbidden" or filtered. T0532 2 :K 1q6zA 44 :A T0532 4 :INKYISL 1q6zA 46 :QEACVVG Number of specific fragments extracted= 2 number of extra gaps= 1 total=21018 # 1szqA.2.138 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 2 :KRINKYISL 1szqA 139 :LTMKQVLTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21019 # 1n1bA.2.98 read from T0532.t2k.many.frag # found chain 1n1bA in template set Warning: unaligning (T0532)K2 (1n1bA)M148 because L (left) conformation "forbidden" or filtered. T0532 3 :RINKYISL 1n1bA 149 :DLYFTALG Number of specific fragments extracted= 1 number of extra gaps= 1 total=21020 1ug3A expands to /projects/compbio/data/pdb/1ug3.pdb.gz 1ug3A:# 1ug3A.2.11 read from T0532.t2k.many.frag # adding 1ug3A to template set # found chain 1ug3A in template set T0532 2 :KRINKYISL 1ug3A 1245 :KKSKAIIEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21021 # 1i6lA.2.119 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 2 :KRINKYISL 1i6lA 120 :AGLLTYPPL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21022 # 1u7gA.2.257 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 2 :KRINKYISL 1u7gA 258 :LLGACSGAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21023 # 1yyqA.2.142 read from T0532.t2k.many.frag # found chain 1yyqA in template set T0532 2 :KRINKYISL 1yyqA 143 :GPFCSLNLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21024 # 1di1A.2.58 read from T0532.t2k.many.frag # found chain 1di1A in template set T0532 2 :KRINKYISL 1di1A 98 :DDRIHFACR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21025 # 1n5uA.3.16 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 3 :RINKYISLL 1n5uA 17 :ENFKALVLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21026 # 2bmaA.3.124 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 3 :RINKYISLL 2bmaA 102 :IVKFLGFEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21027 # 1jdhA.3.198 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 3 :RINKYISLL 1jdhA 333 :YEKLLWTTS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21028 # 2bptA.3.344 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)I4 because of BadResidue code BAD_PEPTIDE in next template residue (2bptA)V347 Warning: unaligning (T0532)N5 because of BadResidue code BAD_PEPTIDE at template residue (2bptA)V347 T0532 3 :R 2bptA 345 :W T0532 6 :KYISLL 2bptA 348 :SMSAGA Number of specific fragments extracted= 2 number of extra gaps= 1 total=21030 # 1yge.3.474 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 3 :RINKYISLL 1yge 475 :ESTIWLLAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21031 # 1lshA.3.409 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 3 :RINKYISLL 1lshA 426 :ILRKTAVLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21032 # 1l8aA.3.79 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 3 :RINKYISLL 1l8aA 80 :RIRSAIRWN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21033 # 1otkA.3.3 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 3 :RINKYISLL 1otkA 4 :QLTAYTLRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21034 # 1hs6A.3.336 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 3 :RINKYISLL 1hs6A 336 :KFRHFNALG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21035 # 1h6kA.3.44 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 3 :RINKYISLL 1h6kA 64 :YKSKILRLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21036 # 1otsA.3.171 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 3 :RINKYISLL 1otsA 172 :EARHTLLAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21037 # 1vin.3.57 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 3 :RINKYISLL 1vin 228 :QNETLHLAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21038 # 1yd0A.3.3 read from T0532.t2k.many.frag # found chain 1yd0A in training set T0532 3 :RINKYISLL 1yd0A 4 :KIRKKILLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21039 # 1nc5A.3.39 read from T0532.t2k.many.frag # found chain 1nc5A in training set Warning: unaligning (T0532)R3 (1nc5A)H40 because Y (epsilon') conformation "forbidden" or filtered. T0532 4 :INKYISLL 1nc5A 41 :YHQGVFLC Number of specific fragments extracted= 1 number of extra gaps= 1 total=21040 # 1n1bA.3.98 read from T0532.t2k.many.frag # found chain 1n1bA in template set Warning: unaligning (T0532)R3 (1n1bA)M148 because L (left) conformation "forbidden" or filtered. T0532 4 :INKYISLL 1n1bA 149 :DLYFTALG Number of specific fragments extracted= 1 number of extra gaps= 1 total=21041 # 1repC.3.32 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 3 :RINKYISLL 1repC 33 :RDQKRMLYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21042 # 1szqA.3.139 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 3 :RINKYISLL 1szqA 140 :TMKQVLTAM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21043 # 1h6kA.3.47 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 3 :RINKYISLL 1h6kA 67 :KILRLLCTV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21044 # 1q6zA.3.44 read from T0532.t2k.many.frag # found chain 1q6zA in training set T0532 3 :RINKYISLL 1q6zA 45 :LQEACVVGI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21045 # 1u7gA.3.258 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 3 :RINKYISLL 1u7gA 259 :LGACSGAIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21046 # 1nzjA.3.18 read from T0532.t2k.many.frag # found chain 1nzjA in training set T0532 3 :RINKYISLL 1nzjA 19 :HFGSLIAAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21047 # 1nc5A.3.38 read from T0532.t2k.many.frag # found chain 1nc5A in training set Warning: unaligning (T0532)I4 (1nc5A)H40 because Y (epsilon') conformation "forbidden" or filtered. T0532 3 :R 1nc5A 39 :W T0532 5 :NKYISLL 1nc5A 41 :YHQGVFL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21049 # 1hf8A.3.39 read from T0532.t2k.many.frag # found chain 1hf8A in template set T0532 3 :RINKYISLL 1hf8A 40 :KHLDYLIQC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21050 # 1i6lA.3.120 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 3 :RINKYISLL 1i6lA 121 :GLLTYPPLM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21051 # 1ug3A.3.12 read from T0532.t2k.many.frag # found chain 1ug3A in template set T0532 3 :RINKYISLL 1ug3A 1246 :KSKAIIEEY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21052 # 1rx0A.3.76 read from T0532.t2k.many.frag # found chain 1rx0A in training set Warning: unaligning (T0532)R3 (1rx0A)G77 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)N5 (1rx0A)S79 because P (beta_P) conformation "forbidden" or filtered. T0532 4 :I 1rx0A 78 :L T0532 6 :KYISLL 1rx0A 80 :RLDTSV Number of specific fragments extracted= 2 number of extra gaps= 2 total=21054 # 1otsA.3.172 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 3 :RINKYISLL 1otsA 173 :ARHTLLATG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21055 1nlfA expands to /projects/compbio/data/pdb/1nlf.pdb.gz 1nlfA:# 1nlfA.3.39 read from T0532.t2k.many.frag # adding 1nlfA to template set # found chain 1nlfA in template set T0532 3 :RINKYISLL 1nlfA 40 :GAGKSMLAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21056 # 1fp3A.3.2 read from T0532.t2k.many.frag # found chain 1fp3A in template set T0532 3 :RINKYISLL 1fp3A 3 :KERETLQAW Number of specific fragments extracted= 1 number of extra gaps= 0 total=21057 # 2bptA.3.149 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 3 :RINKYISLL 2bptA 150 :NVKRASLLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21058 # 1n5uA.4.17 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 4 :INKYISLLL 1n5uA 18 :NFKALVLIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21059 # 2bmaA.4.125 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 4 :INKYISLLL 2bmaA 103 :VKFLGFEQI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21060 # 2bptA.4.345 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)I4 because of BadResidue code BAD_PEPTIDE in next template residue (2bptA)V347 Warning: unaligning (T0532)N5 because of BadResidue code BAD_PEPTIDE at template residue (2bptA)V347 T0532 6 :KYISLLL 2bptA 348 :SMSAGAC Number of specific fragments extracted= 1 number of extra gaps= 1 total=21061 # 1yge.4.475 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 4 :INKYISLLL 1yge 476 :STIWLLAKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21062 # 1lshA.4.410 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 4 :INKYISLLL 1lshA 427 :LRKTAVLGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21063 # 1jdhA.4.199 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 4 :INKYISLLL 1jdhA 334 :EKLLWTTSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21064 # 1l8aA.4.80 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 4 :INKYISLLL 1l8aA 81 :IRSAIRWNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21065 # 1hs6A.4.337 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 4 :INKYISLLL 1hs6A 337 :FRHFNALGG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21066 # 1otkA.4.4 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 4 :INKYISLLL 1otkA 5 :LTAYTLRLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21067 # 1u7gA.4.259 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 4 :INKYISLLL 1u7gA 260 :GACSGAIAG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21068 # 1h6kA.4.45 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 4 :INKYISLLL 1h6kA 65 :KSKILRLLC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21069 # 1nc5A.4.40 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 4 :INKYISLLL 1nc5A 41 :YHQGVFLCG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21070 # 1otsA.4.172 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 4 :INKYISLLL 1otsA 173 :ARHTLLATG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21071 # 1szqA.4.140 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 4 :INKYISLLL 1szqA 141 :MKQVLTAMI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21072 # 1i6lA.4.121 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 4 :INKYISLLL 1i6lA 122 :LLTYPPLMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21073 # 1repC.4.33 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 4 :INKYISLLL 1repC 34 :DQKRMLYLF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21074 # 1vin.4.58 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 4 :INKYISLLL 1vin 229 :NETLHLAVN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21075 # 1h6kA.4.48 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 4 :INKYISLLL 1h6kA 68 :ILRLLCTVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21076 # 1rx0A.4.77 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 4 :INKYISLLL 1rx0A 78 :LSRLDTSVI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21077 # 1nzjA.4.19 read from T0532.t2k.many.frag # found chain 1nzjA in training set T0532 4 :INKYISLLL 1nzjA 20 :FGSLIAALG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21078 # 1nc5A.4.39 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 4 :INKYISLLL 1nc5A 40 :HYHQGVFLC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21079 # 1otsA.4.173 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 4 :INKYISLLL 1otsA 174 :RHTLLATGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21080 # 1n1bA.4.99 read from T0532.t2k.many.frag # found chain 1n1bA in template set T0532 4 :INKYISLLL 1n1bA 149 :DLYFTALGF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21081 1r9jA expands to /projects/compbio/data/pdb/1r9j.pdb.gz 1r9jA:# 1r9jA.4.65 read from T0532.t2k.many.frag # adding 1r9jA to template set # found chain 1r9jA in template set T0532 4 :INKYISLLL 1r9jA 64 :NGHGCALQY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21082 # 1yd0A.4.4 read from T0532.t2k.many.frag # found chain 1yd0A in training set T0532 4 :INKYISLLL 1yd0A 5 :IRKKILLAP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21083 # 1q6zA.4.45 read from T0532.t2k.many.frag # found chain 1q6zA in training set T0532 4 :INKYISLLL 1q6zA 46 :QEACVVGIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21084 1z9hA expands to /projects/compbio/data/pdb/1z9h.pdb.gz 1z9hA:# 1z9hA.4.75 read from T0532.t2k.many.frag # adding 1z9hA to template set # found chain 1z9hA in template set Warning: unaligning (T0532)N5 (1z9hA)D164 because P (beta_P) conformation "forbidden" or filtered. T0532 4 :I 1z9hA 163 :N T0532 6 :KYISLLL 1z9hA 165 :SSVIISA Number of specific fragments extracted= 2 number of extra gaps= 1 total=21086 # 1ug3A.4.13 read from T0532.t2k.many.frag # found chain 1ug3A in template set T0532 4 :INKYISLLL 1ug3A 1247 :SKAIIEEYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21087 1p0yA expands to /projects/compbio/data/pdb/1p0y.pdb.gz 1p0yA:# 1p0yA.4.77 read from T0532.t2k.many.frag # adding 1p0yA to template set # found chain 1p0yA in template set T0532 4 :INKYISLLL 1p0yA 122 :LKPWLSVIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21088 # 1j77A.4.41 read from T0532.t2k.many.frag # found chain 1j77A in training set T0532 4 :INKYISLLL 1j77A 42 :YIKFLKLQS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21089 # 1n5uA.5.18 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 5 :NKYISLLLA 1n5uA 19 :FKALVLIAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21090 # 2bmaA.5.126 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 5 :NKYISLLLA 2bmaA 104 :KFLGFEQIF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21091 # 1yge.5.476 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 5 :NKYISLLLA 1yge 477 :TIWLLAKAY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21092 # 1lshA.5.411 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 5 :NKYISLLLA 1lshA 428 :RKTAVLGYG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21093 # 2bptA.5.346 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)N5 because of BadResidue code BAD_PEPTIDE at template residue (2bptA)V347 T0532 6 :KYISLLLA 2bptA 348 :SMSAGACL Number of specific fragments extracted= 1 number of extra gaps= 1 total=21094 # 1jdhA.5.200 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 5 :NKYISLLLA 1jdhA 335 :KLLWTTSRV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21095 # 1hs6A.5.338 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 5 :NKYISLLLA 1hs6A 338 :RHFNALGGW Number of specific fragments extracted= 1 number of extra gaps= 0 total=21096 # 1l8aA.5.81 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 5 :NKYISLLLA 1l8aA 82 :RSAIRWNAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21097 # 1u7gA.5.260 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 5 :NKYISLLLA 1u7gA 261 :ACSGAIAGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21098 # 1otkA.5.5 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 5 :NKYISLLLA 1otkA 6 :TAYTLRLGD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21099 # 1szqA.5.141 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 5 :NKYISLLLA 1szqA 142 :KQVLTAMIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21100 # 1nc5A.5.41 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 5 :NKYISLLLA 1nc5A 42 :HQGVFLCGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21101 # 1otsA.5.173 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 5 :NKYISLLLA 1otsA 174 :RHTLLATGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21102 # 1h6kA.5.46 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 5 :NKYISLLLA 1h6kA 66 :SKILRLLCT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21103 # 1i6lA.5.122 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 5 :NKYISLLLA 1i6lA 123 :LTYPPLMAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21104 # 1rx0A.5.78 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 5 :NKYISLLLA 1rx0A 79 :SRLDTSVIF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21105 # 1repC.5.34 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 5 :NKYISLLLA 1repC 35 :QKRMLYLFV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21106 # 1h6kA.5.49 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 5 :NKYISLLLA 1h6kA 69 :LRLLCTVAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21107 # 1r9jA.5.66 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 5 :NKYISLLLA 1r9jA 65 :GHGCALQYA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21108 # 1vin.5.59 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 5 :NKYISLLLA 1vin 230 :ETLHLAVNY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21109 # 1nc5A.5.40 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 5 :NKYISLLLA 1nc5A 41 :YHQGVFLCG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21110 # 1otsA.5.174 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 5 :NKYISLLLA 1otsA 175 :HTLLATGAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21111 # 1nzjA.5.20 read from T0532.t2k.many.frag # found chain 1nzjA in training set T0532 5 :NKYISLLLA 1nzjA 21 :GSLIAALGS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21112 # 1ug3A.5.14 read from T0532.t2k.many.frag # found chain 1ug3A in template set T0532 5 :NKYISLLLA 1ug3A 1248 :KAIIEEYLH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21113 # 1p0yA.5.78 read from T0532.t2k.many.frag # found chain 1p0yA in template set T0532 5 :NKYISLLLA 1p0yA 123 :KPWLSVILF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21114 # 1p3dA.5.128 read from T0532.t2k.many.frag # found chain 1p3dA in training set T0532 5 :NKYISLLLA 1p3dA 129 :KTTTTAMIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21115 1zgmA expands to /projects/compbio/data/pdb/1zgm.pdb.gz 1zgmA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1543, because occupancy 0.500 <= existing 0.500 in 1zgmA Skipped atom 1545, because occupancy 0.500 <= existing 0.500 in 1zgmA Skipped atom 1547, because occupancy 0.500 <= existing 0.500 in 1zgmA Skipped atom 1549, because occupancy 0.500 <= existing 0.500 in 1zgmA # 1zgmA.5.27 read from T0532.t2k.many.frag # adding 1zgmA to template set # found chain 1zgmA in template set T0532 5 :NKYISLLLA 1zgmA 16 :PFRGQLIRG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21116 # 1qmgA.5.214 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 5 :NKYISLLLA 1qmgA 286 :RATDVALGW Number of specific fragments extracted= 1 number of extra gaps= 0 total=21117 # 1nlfA.5.41 read from T0532.t2k.many.frag # found chain 1nlfA in template set T0532 5 :NKYISLLLA 1nlfA 42 :GKSMLALQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21118 # 1j77A.5.42 read from T0532.t2k.many.frag # found chain 1j77A in training set T0532 5 :NKYISLLLA 1j77A 43 :IKFLKLQSV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21119 # 1n5uA.6.19 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 6 :KYISLLLAT 1n5uA 20 :KALVLIAFA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21120 # 2bmaA.6.127 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 6 :KYISLLLAT 2bmaA 105 :FLGFEQIFK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21121 # 1yge.6.477 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 6 :KYISLLLAT 1yge 478 :IWLLAKAYV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21122 # 1lshA.6.412 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 6 :KYISLLLAT 1lshA 429 :KTAVLGYGS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21123 # 2bptA.6.347 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 6 :KYISLLLAT 2bptA 348 :SMSAGACLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21124 # 1hs6A.6.339 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 6 :KYISLLLAT 1hs6A 339 :HFNALGGWG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21125 # 1u7gA.6.261 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 6 :KYISLLLAT 1u7gA 262 :CSGAIAGLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21126 # 1jdhA.6.201 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 6 :KYISLLLAT 1jdhA 336 :LLWTTSRVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21127 # 1l8aA.6.82 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 6 :KYISLLLAT 1l8aA 83 :SAIRWNAIM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21128 # 1szqA.6.142 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 6 :KYISLLLAT 1szqA 143 :QVLTAMIKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21129 # 1rx0A.6.79 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 6 :KYISLLLAT 1rx0A 80 :RLDTSVIFE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21130 # 1otkA.6.6 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 6 :KYISLLLAT 1otkA 7 :AYTLRLGDN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21131 # 1nc5A.6.42 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 6 :KYISLLLAT 1nc5A 43 :QGVFLCGVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21132 # 1zgmA.6.28 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 6 :KYISLLLAT 1zgmA 17 :FRGQLIRGI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21133 # 1h6kA.6.47 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 6 :KYISLLLAT 1h6kA 67 :KILRLLCTV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21134 # 1otsA.6.174 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 6 :KYISLLLAT 1otsA 175 :HTLLATGAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21135 # 1repC.6.35 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 6 :KYISLLLAT 1repC 36 :KRMLYLFVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21136 1yvrA expands to /projects/compbio/data/pdb/1yvr.pdb.gz 1yvrA:# 1yvrA.6.87 read from T0532.t2k.many.frag # adding 1yvrA to template set # found chain 1yvrA in template set T0532 6 :KYISLLLAT 1yvrA 88 :KQEPTLFAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21137 # 1kicA.6.22 read from T0532.t2k.many.frag # found chain 1kicA in training set Warning: unaligning (T0532)K6 (1kicA)G11 because L (left) conformation "forbidden" or filtered. T0532 7 :YISLLLAT 1kicA 12 :NLDDFVAM Number of specific fragments extracted= 1 number of extra gaps= 1 total=21138 # 1i6lA.6.123 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 6 :KYISLLLAT 1i6lA 124 :TYPPLMAAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21139 # 1h6kA.6.50 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 6 :KYISLLLAT 1h6kA 70 :RLLCTVARL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21140 # 1r9jA.6.67 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 6 :KYISLLLAT 1r9jA 66 :HGCALQYAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21141 1vr0A expands to /projects/compbio/data/pdb/1vr0.pdb.gz 1vr0A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1vr0A.6.39 read from T0532.t2k.many.frag # adding 1vr0A to template set # found chain 1vr0A in template set Warning: unaligning (T0532)K6 because of BadResidue code BAD_PEPTIDE in next template residue (1vr0A)R29 Warning: unaligning (T0532)Y7 because of BadResidue code BAD_PEPTIDE at template residue (1vr0A)R29 T0532 8 :ISLLLAT 1vr0A 30 :ATSVITT Number of specific fragments extracted= 1 number of extra gaps= 1 total=21142 # 1nc5A.6.41 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 6 :KYISLLLAT 1nc5A 42 :HQGVFLCGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21143 # 1vin.6.60 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 6 :KYISLLLAT 1vin 231 :TLHLAVNYI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21144 # 1p3dA.6.129 read from T0532.t2k.many.frag # found chain 1p3dA in training set T0532 6 :KYISLLLAT 1p3dA 130 :TTTTAMISM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21145 # 1qmgA.6.215 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 6 :KYISLLLAT 1qmgA 287 :ATDVALGWS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21146 # 1ug3A.6.15 read from T0532.t2k.many.frag # found chain 1ug3A in template set T0532 6 :KYISLLLAT 1ug3A 1249 :AIIEEYLHL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21147 # 1otsA.6.175 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 6 :KYISLLLAT 1otsA 176 :TLLATGAAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21148 # 2bptA.6.151 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 6 :KYISLLLAT 2bptA 152 :KRASLLALG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21149 # 1n5uA.7.20 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 7 :YISLLLATA 1n5uA 21 :ALVLIAFAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21150 # 2bmaA.7.128 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 7 :YISLLLATA 2bmaA 106 :LGFEQIFKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21151 # 1lshA.7.413 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 7 :YISLLLATA 1lshA 430 :TAVLGYGSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21152 # 1yge.7.478 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 7 :YISLLLATA 1yge 479 :WLLAKAYVI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21153 # 2bptA.7.348 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 7 :YISLLLATA 2bptA 349 :MSAGACLQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21154 # 1u7gA.7.262 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 7 :YISLLLATA 1u7gA 263 :SGAIAGLVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21155 # 1hs6A.7.340 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 7 :YISLLLATA 1hs6A 340 :FNALGGWGE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21156 # 1jdhA.7.202 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 7 :YISLLLATA 1jdhA 337 :LWTTSRVLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21157 # 1l8aA.7.83 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 7 :YISLLLATA 1l8aA 84 :AIRWNAIMT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21158 # 1szqA.7.143 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 7 :YISLLLATA 1szqA 144 :VLTAMIKAH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21159 # 1rx0A.7.80 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 7 :YISLLLATA 1rx0A 81 :LDTSVIFEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21160 # 1kicA.7.23 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 7 :YISLLLATA 1kicA 12 :NLDDFVAMV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21161 # 1zgmA.7.29 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 7 :YISLLLATA 1zgmA 18 :RGQLIRGIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21162 # 1vr0A.7.40 read from T0532.t2k.many.frag # found chain 1vr0A in template set Warning: unaligning (T0532)Y7 because of BadResidue code BAD_PEPTIDE at template residue (1vr0A)R29 T0532 8 :ISLLLATA 1vr0A 30 :ATSVITTA Number of specific fragments extracted= 1 number of extra gaps= 1 total=21163 # 1otkA.7.7 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 7 :YISLLLATA 1otkA 8 :YTLRLGDNC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21164 # 1nc5A.7.43 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 7 :YISLLLATA 1nc5A 44 :GVFLCGVLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21165 # 1yvrA.7.88 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 7 :YISLLLATA 1yvrA 89 :QEPTLFALA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21166 # 1repC.7.36 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 7 :YISLLLATA 1repC 37 :RMLYLFVDQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21167 # 1h6kA.7.48 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 7 :YISLLLATA 1h6kA 68 :ILRLLCTVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21168 # 1otsA.7.175 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 7 :YISLLLATA 1otsA 176 :TLLATGAAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21169 # 1qmgA.7.216 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 7 :YISLLLATA 1qmgA 288 :TDVALGWSI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21170 # 1i6lA.7.124 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 7 :YISLLLATA 1i6lA 125 :YPPLMAADI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21171 # 1r9jA.7.68 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 7 :YISLLLATA 1r9jA 67 :GCALQYALL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21172 1oxwA expands to /projects/compbio/data/pdb/1oxw.pdb.gz 1oxwA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1oxwA.7.61 read from T0532.t2k.many.frag # adding 1oxwA to template set # found chain 1oxwA in template set T0532 7 :YISLLLATA 1oxwA 75 :GTSTGGLLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21173 # 1p3dA.7.130 read from T0532.t2k.many.frag # found chain 1p3dA in training set T0532 7 :YISLLLATA 1p3dA 131 :TTTAMISMI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21174 # 1vin.7.61 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 7 :YISLLLATA 1vin 232 :LHLAVNYID Number of specific fragments extracted= 1 number of extra gaps= 0 total=21175 # 2bptA.7.152 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 7 :YISLLLATA 2bptA 153 :RASLLALGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21176 2tpt expands to /projects/compbio/data/pdb/2tpt.pdb.gz 2tpt:Warning: there is no chain 2tpt will retry with 2tptA # 2tpt.7.91 read from T0532.t2k.many.frag # adding 2tpt to template set # found chain 2tpt in template set T0532 7 :YISLLLATA 2tpt 92 :DVTSLMLGP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21177 # 1l5oA.7.179 read from T0532.t2k.many.frag # found chain 1l5oA in training set T0532 7 :YISLLLATA 1l5oA 180 :TTPAAAMVS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21178 2a3nA expands to /projects/compbio/data/pdb/2a3n.pdb.gz 2a3nA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 59, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 63, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 65, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 67, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 69, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 71, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 147, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 151, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 153, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 205, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 209, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 211, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 213, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 297, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 299, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 301, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 303, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 370, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 374, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 376, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 407, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 411, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 413, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 415, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 417, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 474, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 476, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 478, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 480, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 532, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 536, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 538, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 540, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 542, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 544, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 546, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 548, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 550, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 553, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 557, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 559, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 561, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 657, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 661, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 663, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 665, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 667, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 669, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 671, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 673, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 774, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 778, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 780, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 782, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 784, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 849, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 853, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 855, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 857, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 859, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 861, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 863, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 865, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 867, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 869, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 871, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1016, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1020, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1022, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1024, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1026, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1028, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1347, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1351, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1353, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1376, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1380, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1382, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1384, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1386, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1388, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1390, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1392, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1411, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1412, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1416, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1417, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1419, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1420, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1449, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1453, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1455, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1457, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1459, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1536, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1540, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1542, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1544, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1546, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1548, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1656, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1660, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1662, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1664, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1666, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1669, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1670, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1674, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1675, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1677, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1678, because occupancy 0.330 <= existing 0.340 in 2a3nA Skipped atom 1681, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1685, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1687, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1689, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1691, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1742, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1744, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1746, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1748, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1769, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1773, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1775, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1777, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1779, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1846, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1848, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1850, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1852, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1854, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 1856, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2099, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2103, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2105, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2107, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2110, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2114, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2116, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2118, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2120, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2277, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2281, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2283, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2285, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2287, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2289, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2291, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2293, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2312, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2316, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2318, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2406, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2410, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2412, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2414, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2416, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2418, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2479, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2483, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2485, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2487, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2489, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2545, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2549, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2551, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2553, because occupancy 0.500 <= existing 0.500 in 2a3nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2555, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2570, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2574, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2576, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2839, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2843, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2845, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2847, because occupancy 0.500 <= existing 0.500 in 2a3nA Skipped atom 2849, because occupancy 0.500 <= existing 0.500 in 2a3nA # 2a3nA.7.162 read from T0532.t2k.many.frag # adding 2a3nA to template set # found chain 2a3nA in template set T0532 7 :YISLLLATA 2a3nA 151 :YMLLYWLFF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21179 # 1n5uA.8.21 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 8 :ISLLLATAL 1n5uA 22 :LVLIAFAQY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21180 # 2bmaA.8.129 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 8 :ISLLLATAL 2bmaA 107 :GFEQIFKNS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21181 # 1lshA.8.414 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 8 :ISLLLATAL 1lshA 431 :AVLGYGSLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21182 # 1yge.8.479 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 8 :ISLLLATAL 1yge 480 :LLAKAYVIV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21183 # 2bptA.8.349 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 8 :ISLLLATAL 2bptA 350 :SAGACLQLF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21184 # 1u7gA.8.263 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 8 :ISLLLATAL 1u7gA 264 :GAIAGLVGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21185 # 1jdhA.8.203 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 8 :ISLLLATAL 1jdhA 338 :WTTSRVLKV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21186 # 1hs6A.8.341 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 8 :ISLLLATAL 1hs6A 341 :NALGGWGEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21187 # 1rx0A.8.81 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 8 :ISLLLATAL 1rx0A 82 :DTSVIFEAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21188 # 1l8aA.8.84 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 8 :ISLLLATAL 1l8aA 85 :IRWNAIMTV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21189 # 1szqA.8.144 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 8 :ISLLLATAL 1szqA 145 :LTAMIKAHE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21190 # 1kicA.8.24 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 8 :ISLLLATAL 1kicA 13 :LDDFVAMVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21191 # 1vr0A.8.41 read from T0532.t2k.many.frag # found chain 1vr0A in template set T0532 8 :ISLLLATAL 1vr0A 30 :ATSVITTAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21192 # 1yvrA.8.89 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 8 :ISLLLATAL 1yvrA 90 :EPTLFALAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21193 # 1zgmA.8.30 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 8 :ISLLLATAL 1zgmA 19 :GQLIRGILA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21194 # 1oxwA.8.62 read from T0532.t2k.many.frag # found chain 1oxwA in template set T0532 8 :ISLLLATAL 1oxwA 76 :TSTGGLLTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21195 # 1nc5A.8.44 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 8 :ISLLLATAL 1nc5A 45 :VFLCGVLRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21196 # 1otkA.8.8 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 8 :ISLLLATAL 1otkA 9 :TLRLGDNCL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21197 # 2tpt.8.92 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 8 :ISLLLATAL 2tpt 93 :VTSLMLGPM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21198 # 1ikpA.8.252 read from T0532.t2k.many.frag # found chain 1ikpA in training set Warning: unaligning (T0532)S9 (1ikpA)G254 because T (delta_L) conformation "forbidden" or filtered. T0532 8 :I 1ikpA 253 :G T0532 10 :LLLATAL 1ikpA 255 :SLAALTA Number of specific fragments extracted= 2 number of extra gaps= 1 total=21200 # 1repC.8.37 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 8 :ISLLLATAL 1repC 38 :MLYLFVDQI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21201 # 1r9jA.8.69 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 8 :ISLLLATAL 1r9jA 68 :CALQYALLH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21202 # 1otsA.8.176 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 8 :ISLLLATAL 1otsA 177 :LLATGAAAG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21203 # 1qmgA.8.217 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 8 :ISLLLATAL 1qmgA 289 :DVALGWSIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21204 # 1h6kA.8.49 read from T0532.t2k.many.frag # found chain 1h6kA in template set T0532 8 :ISLLLATAL 1h6kA 69 :LRLLCTVAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21205 # 1vin.8.62 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 8 :ISLLLATAL 1vin 233 :HLAVNYIDR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21206 # 1p3dA.8.131 read from T0532.t2k.many.frag # found chain 1p3dA in training set T0532 8 :ISLLLATAL 1p3dA 132 :TTAMISMIY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21207 # 1l5oA.8.180 read from T0532.t2k.many.frag # found chain 1l5oA in training set T0532 8 :ISLLLATAL 1l5oA 181 :TPAAAMVSV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21208 # 1i6lA.8.125 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 8 :ISLLLATAL 1i6lA 126 :PPLMAADIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21209 # 2bptA.8.153 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 8 :ISLLLATAL 2bptA 154 :ASLLALGYM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21210 # 1n5uA.9.22 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 9 :SLLLATALL 1n5uA 23 :VLIAFAQYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21211 # 2bmaA.9.130 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 9 :SLLLATALL 2bmaA 108 :FEQIFKNSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21212 # 1lshA.9.415 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 9 :SLLLATALL 1lshA 432 :VLGYGSLVF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21213 # 1yge.9.480 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 9 :SLLLATALL 1yge 481 :LAKAYVIVN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21214 # 2bptA.9.350 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 9 :SLLLATALL 2bptA 351 :AGACLQLFA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21215 # 1u7gA.9.264 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 9 :SLLLATALL 1u7gA 265 :AIAGLVGVT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21216 # 1jdhA.9.204 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 9 :SLLLATALL 1jdhA 339 :TTSRVLKVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21217 # 1rx0A.9.82 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 9 :SLLLATALL 1rx0A 83 :TSVIFEALA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21218 # 1hs6A.9.342 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 9 :SLLLATALL 1hs6A 342 :ALGGWGELQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21219 # 1l8aA.9.85 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 9 :SLLLATALL 1l8aA 86 :RWNAIMTVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21220 # 1szqA.9.145 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 9 :SLLLATALL 1szqA 146 :TAMIKAHEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21221 # 1zgmA.9.31 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 9 :SLLLATALL 1zgmA 20 :QLIRGILAH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21222 # 1ikpA.9.253 read from T0532.t2k.many.frag # found chain 1ikpA in training set T0532 9 :SLLLATALL 1ikpA 254 :GSLAALTAH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21223 # 1oxwA.9.63 read from T0532.t2k.many.frag # found chain 1oxwA in template set Warning: unaligning (T0532)S9 (1oxwA)S77 because S (epsilon) conformation "forbidden" or filtered. T0532 10 :LLLATALL 1oxwA 78 :TGGLLTAM Number of specific fragments extracted= 1 number of extra gaps= 1 total=21224 # 1kicA.9.25 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 9 :SLLLATALL 1kicA 14 :DDFVAMVLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21225 # 1vr0A.9.42 read from T0532.t2k.many.frag # found chain 1vr0A in template set T0532 9 :SLLLATALL 1vr0A 31 :TSVITTALN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21226 # 1yvrA.9.90 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 9 :SLLLATALL 1yvrA 91 :PTLFALAVC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21227 # 2tpt.9.93 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 9 :SLLLATALL 2tpt 94 :TSLMLGPMV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21228 # 1nc5A.9.45 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 9 :SLLLATALL 1nc5A 46 :FLCGVLRLW Number of specific fragments extracted= 1 number of extra gaps= 0 total=21229 # 1otkA.9.9 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 9 :SLLLATALL 1otkA 10 :LRLGDNCLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21230 # 1repC.9.38 read from T0532.t2k.many.frag # found chain 1repC in template set T0532 9 :SLLLATALL 1repC 39 :LYLFVDQIR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21231 # 1r9jA.9.70 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 9 :SLLLATALL 1r9jA 69 :ALQYALLHM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21232 # 1vin.9.63 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 9 :SLLLATALL 1vin 234 :LAVNYIDRF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21233 # 1otsA.9.177 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 9 :SLLLATALL 1otsA 178 :LATGAAAGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21234 # 1qmgA.9.218 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 9 :SLLLATALL 1qmgA 290 :VALGWSIAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21235 # 1p3dA.9.132 read from T0532.t2k.many.frag # found chain 1p3dA in training set T0532 9 :SLLLATALL 1p3dA 133 :TAMISMIYT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21236 # 1l5oA.9.181 read from T0532.t2k.many.frag # found chain 1l5oA in training set T0532 9 :SLLLATALL 1l5oA 182 :PAAAMVSVF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21237 # 1i6lA.9.126 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 9 :SLLLATALL 1i6lA 127 :PLMAADILL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21238 2b9eA expands to /projects/compbio/data/pdb/2b9e.pdb.gz 2b9eA:# 2b9eA.9.140 read from T0532.t2k.many.frag # adding 2b9eA to template set # found chain 2b9eA in template set Warning: unaligning (T0532)L17 (2b9eA)G275 because L (left) conformation "forbidden" or filtered. T0532 9 :SLLLATAL 2b9eA 267 :MATLLARA Number of specific fragments extracted= 1 number of extra gaps= 1 total=21239 # 2a3nA.9.164 read from T0532.t2k.many.frag # found chain 2a3nA in template set T0532 9 :SLLLATALL 2a3nA 153 :LLYWLFFRV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21240 # 1n5uA.10.23 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 10 :LLLATALLA 1n5uA 24 :LIAFAQYLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21241 # 2bmaA.10.131 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 10 :LLLATALLA 2bmaA 109 :EQIFKNSLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21242 # 1jdhA.10.205 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 10 :LLLATALLA 1jdhA 340 :TSRVLKVLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21243 # 1lshA.10.416 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 10 :LLLATALLA 1lshA 433 :LGYGSLVFR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21244 # 1yge.10.481 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 10 :LLLATALLA 1yge 482 :AKAYVIVND Number of specific fragments extracted= 1 number of extra gaps= 0 total=21245 # 2bptA.10.351 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 10 :LLLATALLA 2bptA 352 :GACLQLFAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21246 # 1rx0A.10.83 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 10 :LLLATALLA 1rx0A 84 :SVIFEALAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21247 # 1u7gA.10.265 read from T0532.t2k.many.frag # found chain 1u7gA in training set T0532 10 :LLLATALLA 1u7gA 266 :IAGLVGVTP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21248 # 1ikpA.10.254 read from T0532.t2k.many.frag # found chain 1ikpA in training set T0532 10 :LLLATALLA 1ikpA 255 :SLAALTAHQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21249 # 1zgmA.10.32 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)A18 (1zgmA)C29 because G (3-10) conformation "forbidden" or filtered. T0532 10 :LLLATALL 1zgmA 21 :LIRGILAH Number of specific fragments extracted= 1 number of extra gaps= 1 total=21250 # 1hs6A.10.343 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 10 :LLLATALLA 1hs6A 343 :LGGWGELQN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21251 # 1l8aA.10.86 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 10 :LLLATALLA 1l8aA 87 :WNAIMTVLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21252 # 1szqA.10.146 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 10 :LLLATALLA 1szqA 147 :AMIKAHEIQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21253 # 1oxwA.10.64 read from T0532.t2k.many.frag # found chain 1oxwA in template set T0532 10 :LLLATALLA 1oxwA 78 :TGGLLTAMI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21254 # 1yvrA.10.91 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 10 :LLLATALLA 1yvrA 92 :TLFALAVCS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21255 # 1kicA.10.26 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 10 :LLLATALLA 1kicA 15 :DFVAMVLLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21256 # 1vr0A.10.43 read from T0532.t2k.many.frag # found chain 1vr0A in template set T0532 10 :LLLATALLA 1vr0A 32 :SVITTALNN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21257 # 2tpt.10.94 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 10 :LLLATALLA 2tpt 95 :SLMLGPMVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21258 # 1repC.10.39 read from T0532.t2k.many.frag # found chain 1repC in template set Warning: unaligning (T0532)A18 (1repC)K48 because N (gamma') conformation "forbidden" or filtered. T0532 10 :LLLATALL 1repC 40 :YLFVDQIR Number of specific fragments extracted= 1 number of extra gaps= 1 total=21259 # 1otkA.10.10 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 10 :LLLATALLA 1otkA 11 :RLGDNCLVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21260 # 1nc5A.10.46 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 10 :LLLATALLA 1nc5A 47 :LCGVLRLWE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21261 # 1r9jA.10.71 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 10 :LLLATALLA 1r9jA 70 :LQYALLHMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21262 # 1qmgA.10.219 read from T0532.t2k.many.frag # found chain 1qmgA in training set Warning: unaligning (T0532)A18 (1qmgA)G299 because T (delta_L) conformation "forbidden" or filtered. T0532 10 :LLLATALL 1qmgA 291 :ALGWSIAL Number of specific fragments extracted= 1 number of extra gaps= 1 total=21263 # 2b9eA.10.141 read from T0532.t2k.many.frag # found chain 2b9eA in template set Warning: unaligning (T0532)L17 (2b9eA)G275 because L (left) conformation "forbidden" or filtered. T0532 10 :LLLATAL 2b9eA 268 :ATLLARA T0532 18 :A 2b9eA 276 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=21265 # 1i6lA.10.127 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 10 :LLLATALLA 1i6lA 128 :LMAADILLY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21266 # 1vin.10.64 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 10 :LLLATALLA 1vin 235 :AVNYIDRFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21267 # 1otsA.10.178 read from T0532.t2k.many.frag # found chain 1otsA in template set T0532 10 :LLLATALLA 1otsA 179 :ATGAAAGLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21268 # 2bptA.10.155 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 10 :LLLATALLA 2bptA 156 :LLALGYMCE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21269 1up8A expands to /projects/compbio/data/pdb/1up8.pdb.gz 1up8A:# 1up8A.10.161 read from T0532.t2k.many.frag # adding 1up8A to template set # found chain 1up8A in template set T0532 10 :LLLATALLA 1up8A 161 :AELYLMALG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21270 # 2bptA.10.156 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 10 :LLLATALLA 2bptA 157 :LALGYMCES Number of specific fragments extracted= 1 number of extra gaps= 0 total=21271 # 1n5uA.11.24 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 11 :LLATALLAS 1n5uA 25 :IAFAQYLQQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21272 # 1jdhA.11.206 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 11 :LLATALLAS 1jdhA 341 :SRVLKVLSV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21273 # 2bmaA.11.132 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)S19 (2bmaA)G118 because T (delta_L) conformation "forbidden" or filtered. T0532 11 :LLATALLA 2bmaA 110 :QIFKNSLT Number of specific fragments extracted= 1 number of extra gaps= 1 total=21274 # 1rx0A.11.84 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 11 :LLATALLAS 1rx0A 85 :VIFEALATG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21275 # 1zgmA.11.33 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 11 :LLATALLAS 1zgmA 22 :IRGILAHCG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21276 # 2bptA.11.352 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 11 :LLATALLAS 2bptA 353 :ACLQLFAQN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21277 # 1yge.11.482 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 11 :LLATALLAS 1yge 483 :KAYVIVNDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21278 # 1lshA.11.417 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 11 :LLATALLAS 1lshA 434 :GYGSLVFRY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21279 # 1ikpA.11.255 read from T0532.t2k.many.frag # found chain 1ikpA in training set T0532 11 :LLATALLAS 1ikpA 256 :LAALTAHQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21280 # 1u7gA.11.266 read from T0532.t2k.many.frag # found chain 1u7gA in training set Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE in next template residue (1u7gA)C276 T0532 11 :LLATALLA 1u7gA 267 :AGLVGVTP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21281 # 1yvrA.11.92 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 11 :LLATALLAS 1yvrA 93 :LFALAVCSQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21282 # 1l8aA.11.87 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 11 :LLATALLAS 1l8aA 88 :NAIMTVLRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21283 # 1hs6A.11.344 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 11 :LLATALLAS 1hs6A 344 :GGWGELQNS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21284 # 1oxwA.11.65 read from T0532.t2k.many.frag # found chain 1oxwA in template set Warning: unaligning (T0532)A18 (1oxwA)I86 because G (3-10) conformation "forbidden" or filtered. T0532 11 :LLATALL 1oxwA 79 :GGLLTAM T0532 19 :S 1oxwA 87 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=21286 # 1szqA.11.147 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 11 :LLATALLAS 1szqA 148 :MIKAHEIQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21287 # 1kicA.11.27 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 11 :LLATALLAS 1kicA 16 :FVAMVLLAS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21288 # 1repC.11.40 read from T0532.t2k.many.frag # found chain 1repC in template set Warning: unaligning (T0532)S19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1repC)H56 T0532 11 :LLATALLA 1repC 41 :LFVDQIRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21289 # 1vr0A.11.44 read from T0532.t2k.many.frag # found chain 1vr0A in template set T0532 11 :LLATALLAS 1vr0A 33 :VITTALNNG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21290 # 2tpt.11.95 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 11 :LLATALLAS 2tpt 96 :LMLGPMVAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21291 # 1r9jA.11.72 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 11 :LLATALLAS 1r9jA 71 :QYALLHMAG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21292 # 1qmgA.11.220 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 11 :LLATALLAS 1qmgA 292 :LGWSIALGS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21293 1t7lA expands to /projects/compbio/data/pdb/1t7l.pdb.gz 1t7lA:# 1t7lA.11.99 read from T0532.t2k.many.frag # adding 1t7lA to template set # found chain 1t7lA in template set T0532 11 :LLATALLAS 1t7lA 68 :LDTAVMVGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21294 # 1vin.11.65 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 11 :LLATALLAS 1vin 236 :VNYIDRFLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21295 # 1n1bA.11.106 read from T0532.t2k.many.frag # found chain 1n1bA in template set Warning: unaligning (T0532)S19 (1n1bA)G164 because T (delta_L) conformation "forbidden" or filtered. T0532 11 :LLATALLA 1n1bA 156 :GFRLLRQH Number of specific fragments extracted= 1 number of extra gaps= 1 total=21296 # 2b9eA.11.142 read from T0532.t2k.many.frag # found chain 2b9eA in template set Warning: unaligning (T0532)L17 (2b9eA)G275 because L (left) conformation "forbidden" or filtered. T0532 11 :LLATAL 2b9eA 269 :TLLARA T0532 18 :AS 2b9eA 276 :VS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21298 # 2bptA.11.156 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 11 :LLATALLAS 2bptA 157 :LALGYMCES Number of specific fragments extracted= 1 number of extra gaps= 0 total=21299 # 1i6lA.11.128 read from T0532.t2k.many.frag # found chain 1i6lA in training set Warning: unaligning (T0532)S19 (1i6lA)N137 because L (left) conformation "forbidden" or filtered. T0532 11 :LLATALLA 1i6lA 129 :MAADILLY Number of specific fragments extracted= 1 number of extra gaps= 1 total=21300 # 1otkA.11.11 read from T0532.t2k.many.frag # found chain 1otkA in template set T0532 11 :LLATALLAS 1otkA 12 :LGDNCLVLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21301 # 1nc5A.11.47 read from T0532.t2k.many.frag # found chain 1nc5A in training set T0532 11 :LLATALLAS 1nc5A 48 :CGVLRLWEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21302 # 1up8A.11.162 read from T0532.t2k.many.frag # found chain 1up8A in template set T0532 11 :LLATALLAS 1up8A 162 :ELYLMALGR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21303 # 1n5uA.12.25 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 12 :LATALLASC 1n5uA 26 :AFAQYLQQC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21304 # 1jdhA.12.207 read from T0532.t2k.many.frag # found chain 1jdhA in template set Warning: unaligning (T0532)C20 (1jdhA)C350 because P (beta_P) conformation "forbidden" or filtered. T0532 12 :LATALLAS 1jdhA 342 :RVLKVLSV Number of specific fragments extracted= 1 number of extra gaps= 1 total=21305 # 2bmaA.12.133 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 12 :LATALLASC 2bmaA 111 :IFKNSLTGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21306 # 1zgmA.12.34 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)S19 (1zgmA)G30 because T (delta_L) conformation "forbidden" or filtered. T0532 12 :LATALLA 1zgmA 23 :RGILAHC T0532 20 :C 1zgmA 31 :C Number of specific fragments extracted= 2 number of extra gaps= 1 total=21308 # 1rx0A.12.85 read from T0532.t2k.many.frag # found chain 1rx0A in training set Warning: unaligning (T0532)C20 (1rx0A)C94 because E (beta_S) conformation "forbidden" or filtered. T0532 12 :LATALLAS 1rx0A 86 :IFEALATG Number of specific fragments extracted= 1 number of extra gaps= 1 total=21309 # 2bptA.12.353 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)C20 (2bptA)C362 because G (3-10) conformation "forbidden" or filtered. T0532 12 :LATALLAS 2bptA 354 :CLQLFAQN Number of specific fragments extracted= 1 number of extra gaps= 1 total=21310 # 1yvrA.12.93 read from T0532.t2k.many.frag # found chain 1yvrA in template set Warning: unaligning (T0532)C20 (1yvrA)C102 because P (beta_P) conformation "forbidden" or filtered. T0532 12 :LATALLAS 1yvrA 94 :FALAVCSQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=21311 # 1yge.12.483 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 12 :LATALLASC 1yge 484 :AYVIVNDSC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21312 # 1lshA.12.418 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 12 :LATALLASC 1lshA 435 :YGSLVFRYC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21313 # 1ikpA.12.256 read from T0532.t2k.many.frag # found chain 1ikpA in training set T0532 12 :LATALLASC 1ikpA 257 :AALTAHQAC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21314 # 1u7gA.12.267 read from T0532.t2k.many.frag # found chain 1u7gA in training set Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE in next template residue (1u7gA)C276 Warning: unaligning (T0532)C20 because of BadResidue code BAD_PEPTIDE at template residue (1u7gA)C276 T0532 12 :LATALLA 1u7gA 268 :GLVGVTP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21315 # 1vin.12.66 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 12 :LATALLASC 1vin 237 :NYIDRFLSS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21316 # 1kicA.12.28 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 12 :LATALLASC 1kicA 17 :VAMVLLASN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21317 # 1l8aA.12.88 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 12 :LATALLASC 1l8aA 89 :AIMTVLRAS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21318 # 1r9jA.12.73 read from T0532.t2k.many.frag # found chain 1r9jA in template set Warning: unaligning (T0532)S19 (1r9jA)G79 because T (delta_L) conformation "forbidden" or filtered. T0532 12 :LATALLA 1r9jA 72 :YALLHMA T0532 20 :C 1r9jA 80 :Y Number of specific fragments extracted= 2 number of extra gaps= 1 total=21320 # 1oxwA.12.66 read from T0532.t2k.many.frag # found chain 1oxwA in template set T0532 12 :LATALLASC 1oxwA 80 :GLLTAMIST Number of specific fragments extracted= 1 number of extra gaps= 0 total=21321 # 1qmgA.12.221 read from T0532.t2k.many.frag # found chain 1qmgA in training set Warning: unaligning (T0532)A18 (1qmgA)G299 because T (delta_L) conformation "forbidden" or filtered. T0532 12 :LATALL 1qmgA 293 :GWSIAL T0532 19 :SC 1qmgA 300 :SP Number of specific fragments extracted= 2 number of extra gaps= 1 total=21323 # 1vr0A.12.45 read from T0532.t2k.many.frag # found chain 1vr0A in template set Warning: unaligning (T0532)S19 (1vr0A)G41 because T (delta_L) conformation "forbidden" or filtered. T0532 12 :LATALLA 1vr0A 34 :ITTALNN T0532 20 :C 1vr0A 42 :C Number of specific fragments extracted= 2 number of extra gaps= 1 total=21325 # 1n1bA.12.107 read from T0532.t2k.many.frag # found chain 1n1bA in template set T0532 12 :LATALLASC 1n1bA 157 :FRLLRQHGF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21326 # 2tpt.12.96 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 12 :LATALLASC 2tpt 97 :MLGPMVAAC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21327 # 1hs6A.12.345 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 12 :LATALLASC 1hs6A 345 :GWGELQNSV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21328 # 1repC.12.41 read from T0532.t2k.many.frag # found chain 1repC in template set Warning: unaligning (T0532)S19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1repC)H56 T0532 12 :LATALLA 1repC 42 :FVDQIRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21329 # 1szqA.12.148 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 12 :LATALLASC 1szqA 149 :IKAHEIQGC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21330 # 1t7lA.12.100 read from T0532.t2k.many.frag # found chain 1t7lA in template set Warning: unaligning (T0532)A18 (1t7lA)G75 because T (delta_L) conformation "forbidden" or filtered. T0532 12 :LATALL 1t7lA 69 :DTAVMV T0532 19 :SC 1t7lA 76 :AV Number of specific fragments extracted= 2 number of extra gaps= 1 total=21332 # 1nlfA.12.48 read from T0532.t2k.many.frag # found chain 1nlfA in template set T0532 12 :LATALLASC 1nlfA 49 :QLAAQIAGG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21333 # 2b9eA.12.143 read from T0532.t2k.many.frag # found chain 2b9eA in template set Warning: unaligning (T0532)L17 (2b9eA)G275 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)C20 (2b9eA)C278 because G (3-10) conformation "forbidden" or filtered. T0532 12 :LATAL 2b9eA 270 :LLARA T0532 18 :AS 2b9eA 276 :VS Number of specific fragments extracted= 2 number of extra gaps= 2 total=21335 # 1vns.12.60 read from T0532.t2k.many.frag # found chain 1vns in training set Warning: unaligning (T0532)C20 (1vns)C69 because D (zeta) conformation "forbidden" or filtered. T0532 12 :LATALLAS 1vns 61 :IHDAYFSI Number of specific fragments extracted= 1 number of extra gaps= 1 total=21336 2c7pA expands to /projects/compbio/data/pdb/2c7p.pdb.gz 2c7pA:Skipped atom 503, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 504, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 505, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 506, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 507, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 508, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 509, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 510, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 511, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 1011, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 1012, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 1013, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 1014, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 1015, because occupancy 0.500 <= existing 0.500 in 2c7pA Skipped atom 1016, because occupancy 0.500 <= existing 0.500 in 2c7pA # 2c7pA.12.22 read from T0532.t2k.many.frag # adding 2c7pA to template set # found chain 2c7pA in template set T0532 12 :LATALLASC 2c7pA 23 :GFRLALESC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21337 # 1i6lA.12.129 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 12 :LATALLASC 1i6lA 130 :AADILLYNT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21338 # 2bptA.12.157 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 12 :LATALLASC 2bptA 158 :ALGYMCESA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21339 # 1jdhA.13.208 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 13 :ATALLASCD 1jdhA 343 :VLKVLSVCS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21340 # 1n5uA.13.26 read from T0532.t2k.many.frag # found chain 1n5uA in template set Warning: unaligning (T0532)C20 (1n5uA)C34 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D21 (1n5uA)P35 because P (beta_P) conformation "forbidden" or filtered. T0532 13 :ATALLAS 1n5uA 27 :FAQYLQQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=21341 # 2bmaA.13.134 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 13 :ATALLASCD 2bmaA 112 :FKNSLTGLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21342 # 1zgmA.13.35 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)S19 (1zgmA)G30 because T (delta_L) conformation "forbidden" or filtered. T0532 13 :ATALLA 1zgmA 24 :GILAHC T0532 20 :CD 1zgmA 31 :CS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21344 # 1vin.13.67 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 13 :ATALLASCD 1vin 238 :YIDRFLSSM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21345 # 1yvrA.13.94 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 13 :ATALLASCD 1yvrA 95 :ALAVCSQCS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21346 # 2bptA.13.354 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)D21 (2bptA)G363 because S (epsilon) conformation "forbidden" or filtered. T0532 13 :ATALLASC 2bptA 355 :LQLFAQNC Number of specific fragments extracted= 1 number of extra gaps= 1 total=21347 # 1rx0A.13.86 read from T0532.t2k.many.frag # found chain 1rx0A in training set Warning: unaligning (T0532)C20 (1rx0A)C94 because E (beta_S) conformation "forbidden" or filtered. T0532 13 :ATALLAS 1rx0A 87 :FEALATG T0532 21 :D 1rx0A 95 :T Number of specific fragments extracted= 2 number of extra gaps= 1 total=21349 # 1ikpA.13.257 read from T0532.t2k.many.frag # found chain 1ikpA in training set Warning: unaligning (T0532)D21 (1ikpA)H266 because L (left) conformation "forbidden" or filtered. T0532 13 :ATALLASC 1ikpA 258 :ALTAHQAC Number of specific fragments extracted= 1 number of extra gaps= 1 total=21350 # 1n1bA.13.108 read from T0532.t2k.many.frag # found chain 1n1bA in template set Warning: unaligning (T0532)S19 (1n1bA)G164 because T (delta_L) conformation "forbidden" or filtered. T0532 13 :ATALLA 1n1bA 158 :RLLRQH T0532 20 :CD 1n1bA 165 :FN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21352 # 1r9jA.13.74 read from T0532.t2k.many.frag # found chain 1r9jA in template set Warning: unaligning (T0532)S19 (1r9jA)G79 because T (delta_L) conformation "forbidden" or filtered. T0532 13 :ATALLA 1r9jA 73 :ALLHMA T0532 20 :CD 1r9jA 80 :YN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21354 # 1kicA.13.29 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 13 :ATALLASCD 1kicA 18 :AMVLLASNT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21355 # 1z9hA.13.84 read from T0532.t2k.many.frag # found chain 1z9hA in template set Warning: unaligning (T0532)C20 (1z9hA)G179 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)D21 (1z9hA)Q180 because P (beta_P) conformation "forbidden" or filtered. T0532 13 :ATALLAS 1z9hA 172 :LKTYLVS Number of specific fragments extracted= 1 number of extra gaps= 1 total=21356 # 1yge.13.484 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 13 :ATALLASCD 1yge 485 :YVIVNDSCY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21357 # 1nlfA.13.49 read from T0532.t2k.many.frag # found chain 1nlfA in template set T0532 13 :ATALLASCD 1nlfA 50 :LAAQIAGGP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21358 # 1oxwA.13.67 read from T0532.t2k.many.frag # found chain 1oxwA in template set T0532 13 :ATALLASCD 1oxwA 81 :LLTAMISTP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21359 # 1l8aA.13.89 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 13 :ATALLASCD 1l8aA 90 :IMTVLRASK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21360 # 1vr0A.13.46 read from T0532.t2k.many.frag # found chain 1vr0A in template set Warning: unaligning (T0532)S19 (1vr0A)G41 because T (delta_L) conformation "forbidden" or filtered. T0532 13 :ATALLA 1vr0A 35 :TTALNN T0532 20 :CD 1vr0A 42 :CK Number of specific fragments extracted= 2 number of extra gaps= 1 total=21362 # 1ql0A.13.87 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 13 :ATALLASCD 1ql0A 92 :PLASLAGVS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21363 # 1lshA.13.419 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 13 :ATALLASCD 1lshA 436 :GSLVFRYCA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21364 # 1p0yA.13.86 read from T0532.t2k.many.frag # found chain 1p0yA in template set T0532 13 :ATALLASCD 1p0yA 131 :FLIRERSRE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21365 # 1hs6A.13.346 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 13 :ATALLASCD 1hs6A 346 :WGELQNSVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21366 # 1u7gA.13.268 read from T0532.t2k.many.frag # found chain 1u7gA in training set Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE in next template residue (1u7gA)C276 Warning: unaligning (T0532)C20 because of BadResidue code BAD_PEPTIDE at template residue (1u7gA)C276 T0532 13 :ATALLA 1u7gA 269 :LVGVTP T0532 21 :D 1u7gA 277 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=21368 # 1vns.13.61 read from T0532.t2k.many.frag # found chain 1vns in training set T0532 13 :ATALLASCD 1vns 62 :HDAYFSICP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21369 # 2tpt.13.97 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 13 :ATALLASCD 2tpt 98 :LGPMVAACG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21370 # 1kicA.13.30 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 13 :ATALLASCD 1kicA 19 :MVLLASNTE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21371 # 1nlnA.13.128 read from T0532.t2k.many.frag # found chain 1nlnA in training set T0532 13 :ATALLASCD 1nlnA 129 :FLHAFANWP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21372 # 2c7pA.13.23 read from T0532.t2k.many.frag # found chain 2c7pA in template set Warning: unaligning (T0532)C20 (2c7pA)C31 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D21 (2c7pA)G32 because T (delta_L) conformation "forbidden" or filtered. T0532 13 :ATALLAS 2c7pA 24 :FRLALES Number of specific fragments extracted= 1 number of extra gaps= 1 total=21373 # 1repC.13.42 read from T0532.t2k.many.frag # found chain 1repC in template set Warning: unaligning (T0532)S19 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1repC)H56 T0532 13 :ATALLA 1repC 43 :VDQIRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21374 # 1qmgA.13.222 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 13 :ATALLASCD 1qmgA 294 :WSIALGSPF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21375 # 1jdhA.14.209 read from T0532.t2k.many.frag # found chain 1jdhA in template set Warning: unaligning (T0532)S19 (1jdhA)V349 because G (3-10) conformation "forbidden" or filtered. T0532 14 :TALLA 1jdhA 344 :LKVLS T0532 20 :CDK 1jdhA 350 :CSS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21377 # 1n5uA.14.27 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 14 :TALLASCDK 1n5uA 28 :AQYLQQCPF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21378 # 1yvrA.14.95 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 14 :TALLASCDK 1yvrA 96 :LAVCSQCSD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21379 # 1zgmA.14.36 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)S19 (1zgmA)G30 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)K22 (1zgmA)W33 because E (beta_S) conformation "forbidden" or filtered. T0532 14 :TALLA 1zgmA 25 :ILAHC T0532 20 :CD 1zgmA 31 :CS Number of specific fragments extracted= 2 number of extra gaps= 2 total=21381 # 1vin.14.68 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 14 :TALLASCDK 1vin 239 :IDRFLSSMS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21382 # 1ql0A.14.88 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 14 :TALLASCDK 1ql0A 93 :LASLAGVSD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21383 # 1kicA.14.30 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 14 :TALLASCDK 1kicA 19 :MVLLASNTE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21384 # 2bmaA.14.135 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 14 :TALLASCDK 2bmaA 113 :KNSLTGLSM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21385 # 2bptA.14.355 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)C20 (2bptA)C362 because G (3-10) conformation "forbidden" or filtered. T0532 14 :TALLAS 2bptA 356 :QLFAQN T0532 21 :DK 2bptA 363 :GN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21387 # 1r9jA.14.75 read from T0532.t2k.many.frag # found chain 1r9jA in template set Warning: unaligning (T0532)S19 (1r9jA)G79 because T (delta_L) conformation "forbidden" or filtered. T0532 14 :TALLA 1r9jA 74 :LLHMA T0532 20 :CDK 1r9jA 80 :YNL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21389 # 1nlfA.14.50 read from T0532.t2k.many.frag # found chain 1nlfA in template set Warning: unaligning (T0532)S19 (1nlfA)G56 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)K22 (1nlfA)D59 because N (gamma') conformation "forbidden" or filtered. T0532 14 :TALLA 1nlfA 51 :AAQIA T0532 20 :CD 1nlfA 57 :GP Number of specific fragments extracted= 2 number of extra gaps= 2 total=21391 # 1ikpA.14.258 read from T0532.t2k.many.frag # found chain 1ikpA in training set Warning: unaligning (T0532)D21 (1ikpA)H266 because L (left) conformation "forbidden" or filtered. T0532 14 :TALLASC 1ikpA 259 :LTAHQAC T0532 22 :K 1ikpA 267 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=21393 # 1z9hA.14.85 read from T0532.t2k.many.frag # found chain 1z9hA in template set T0532 14 :TALLASCDK 1z9hA 173 :KTYLVSGQP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21394 # 1oxwA.14.68 read from T0532.t2k.many.frag # found chain 1oxwA in template set Warning: unaligning (T0532)K22 (1oxwA)N90 because P (beta_P) conformation "forbidden" or filtered. T0532 14 :TALLASCD 1oxwA 82 :LTAMISTP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21395 # 1vns.14.62 read from T0532.t2k.many.frag # found chain 1vns in training set T0532 14 :TALLASCDK 1vns 63 :DAYFSICPP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21396 # 1p0yA.14.87 read from T0532.t2k.many.frag # found chain 1p0yA in template set T0532 14 :TALLASCDK 1p0yA 132 :LIRERSRED Number of specific fragments extracted= 1 number of extra gaps= 0 total=21397 # 1l8aA.14.90 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 14 :TALLASCDK 1l8aA 91 :MTVLRASKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21398 # 1kicA.14.31 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 14 :TALLASCDK 1kicA 20 :VLLASNTEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21399 1ho8A expands to /projects/compbio/data/pdb/1ho8.pdb.gz 1ho8A:# 1ho8A.14.101 read from T0532.t2k.many.frag # adding 1ho8A to template set # found chain 1ho8A in template set T0532 14 :TALLASCDK 1ho8A 100 :IAELLSSDK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21400 # 1vr0A.14.47 read from T0532.t2k.many.frag # found chain 1vr0A in template set T0532 14 :TALLASCDK 1vr0A 36 :TALNNGCKR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21401 # 1rx0A.14.87 read from T0532.t2k.many.frag # found chain 1rx0A in training set T0532 14 :TALLASCDK 1rx0A 88 :EALATGCTS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21402 # 1q74A.14.24 read from T0532.t2k.many.frag # found chain 1q74A in training set T0532 14 :TALLASCDK 1q74A 25 :IAHYTSRGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21403 # 1sjwA.14.13 read from T0532.t2k.many.frag # found chain 1sjwA in training set Warning: unaligning (T0532)A18 because of BadResidue code BAD_PEPTIDE in next template residue (1sjwA)R19 Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE at template residue (1sjwA)R19 Warning: unaligning (T0532)C20 (1sjwA)T20 because G (3-10) conformation "forbidden" or filtered. T0532 14 :TALL 1sjwA 14 :AFNT T0532 21 :DK 1sjwA 21 :DD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21405 # 1yge.14.485 read from T0532.t2k.many.frag # found chain 1yge in training set T0532 14 :TALLASCDK 1yge 486 :VIVNDSCYH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21406 # 2tpt.14.98 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 14 :TALLASCDK 2tpt 99 :GPMVAACGG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21407 # 1hs6A.14.347 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 14 :TALLASCDK 1hs6A 347 :GELQNSVKT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21408 # 1up8A.14.165 read from T0532.t2k.many.frag # found chain 1up8A in template set Warning: unaligning (T0532)D21 (1up8A)I172 because P (beta_P) conformation "forbidden" or filtered. T0532 14 :TALLASC 1up8A 165 :LMALGRE T0532 22 :K 1up8A 173 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=21410 2b61A expands to /projects/compbio/data/pdb/2b61.pdb.gz 2b61A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 652, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 654, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 656, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 658, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 660, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 662, because occupancy 0.500 <= existing 0.500 in 2b61A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1598, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1600, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1602, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1604, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1606, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1608, because occupancy 0.500 <= existing 0.500 in 2b61A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1915, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1917, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1919, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1921, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1923, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 1925, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 2067, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 2069, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 2071, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 2073, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 2075, because occupancy 0.500 <= existing 0.500 in 2b61A Skipped atom 2077, because occupancy 0.500 <= existing 0.500 in 2b61A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2b61A.14.103 read from T0532.t2k.many.frag # adding 2b61A to template set # found chain 2b61A in template set Warning: unaligning (T0532)S19 (2b61A)G90 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)C20 (2b61A)C91 because G (3-10) conformation "forbidden" or filtered. T0532 14 :TALLA 2b61A 85 :SNVLG T0532 21 :DK 2b61A 92 :KG Number of specific fragments extracted= 2 number of extra gaps= 1 total=21412 1izmA expands to /projects/compbio/data/pdb/1izm.pdb.gz 1izmA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1izmA.14.31 read from T0532.t2k.many.frag # adding 1izmA to template set # found chain 1izmA in template set T0532 14 :TALLASCDK 1izmA 30 :GLLCGGLKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21413 # 1yvrA.14.34 read from T0532.t2k.many.frag # found chain 1yvrA in template set Warning: unaligning (T0532)K22 (1yvrA)G43 because T (delta_L) conformation "forbidden" or filtered. T0532 14 :TALLASCD 1yvrA 35 :RFLCFGSE Number of specific fragments extracted= 1 number of extra gaps= 1 total=21414 # 1jdhA.15.210 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 15 :ALLASCDKF 1jdhA 345 :KVLSVCSSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21415 # 1yvrA.15.96 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 15 :ALLASCDKF 1yvrA 97 :AVCSQCSDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21416 # 1ql0A.15.89 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 15 :ALLASCDKF 1ql0A 94 :ASLAGVSDW Number of specific fragments extracted= 1 number of extra gaps= 0 total=21417 # 1vin.15.69 read from T0532.t2k.many.frag # found chain 1vin in template set Warning: unaligning (T0532)D21 (1vin)M246 because E (beta_S) conformation "forbidden" or filtered. T0532 15 :ALLASC 1vin 240 :DRFLSS T0532 22 :KF 1vin 247 :SV Number of specific fragments extracted= 2 number of extra gaps= 1 total=21419 # 1oxwA.15.69 read from T0532.t2k.many.frag # found chain 1oxwA in template set T0532 15 :ALLASCDKF 1oxwA 83 :TAMISTPNE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21420 # 1nlfA.15.51 read from T0532.t2k.many.frag # found chain 1nlfA in template set Warning: unaligning (T0532)S19 (1nlfA)G56 because T (delta_L) conformation "forbidden" or filtered. T0532 15 :ALLA 1nlfA 52 :AQIA T0532 20 :CDKF 1nlfA 57 :GPDL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21422 # 2bptA.15.356 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)C20 (2bptA)C362 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D21 (2bptA)G363 because S (epsilon) conformation "forbidden" or filtered. T0532 15 :ALLAS 2bptA 357 :LFAQN T0532 22 :KF 2bptA 364 :NH Number of specific fragments extracted= 2 number of extra gaps= 1 total=21424 # 1kicA.15.31 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 15 :ALLASCDKF 1kicA 20 :VLLASNTEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21425 # 1ikpA.15.259 read from T0532.t2k.many.frag # found chain 1ikpA in training set T0532 15 :ALLASCDKF 1ikpA 260 :TAHQACHLP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21426 # 1z9hA.15.86 read from T0532.t2k.many.frag # found chain 1z9hA in template set T0532 15 :ALLASCDKF 1z9hA 174 :TYLVSGQPL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21427 # 1vns.15.63 read from T0532.t2k.many.frag # found chain 1vns in training set T0532 15 :ALLASCDKF 1vns 64 :AYFSICPPT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21428 # 1n5uA.15.28 read from T0532.t2k.many.frag # found chain 1n5uA in template set T0532 15 :ALLASCDKF 1n5uA 29 :QYLQQCPFE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21429 # 1ho8A.15.102 read from T0532.t2k.many.frag # found chain 1ho8A in template set T0532 15 :ALLASCDKF 1ho8A 101 :AELLSSDKY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21430 # 1zgmA.15.36 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 15 :ALLASCDKF 1zgmA 25 :ILAHCGCSW Number of specific fragments extracted= 1 number of extra gaps= 0 total=21431 # 1zgmA.15.37 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 15 :ALLASCDKF 1zgmA 26 :LAHCGCSWD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21432 # 1p0yA.15.88 read from T0532.t2k.many.frag # found chain 1p0yA in template set Warning: unaligning (T0532)K22 (1p0yA)D140 because G (3-10) conformation "forbidden" or filtered. T0532 15 :ALLASCD 1p0yA 133 :IRERSRE T0532 23 :F 1p0yA 141 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=21434 # 2tpt.15.99 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 15 :ALLASCDKF 2tpt 100 :PMVAACGGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21435 # 1hs6A.15.348 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 15 :ALLASCDKF 1hs6A 348 :ELQNSVKTF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21436 # 1vr0A.15.48 read from T0532.t2k.many.frag # found chain 1vr0A in template set Warning: unaligning (T0532)S19 (1vr0A)G41 because T (delta_L) conformation "forbidden" or filtered. T0532 15 :ALLA 1vr0A 37 :ALNN T0532 20 :CDKF 1vr0A 42 :CKRV Number of specific fragments extracted= 2 number of extra gaps= 1 total=21438 # 1v54A.15.83 read from T0532.t2k.many.frag # found chain 1v54A in training set Warning: unaligning (T0532)S19 (1v54A)G88 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K22 (1v54A)D91 because Y (epsilon') conformation "forbidden" or filtered. T0532 15 :ALLA 1v54A 84 :PLMI T0532 20 :CD 1v54A 89 :AP T0532 23 :F 1v54A 92 :M Number of specific fragments extracted= 3 number of extra gaps= 2 total=21441 # 1r9jA.15.76 read from T0532.t2k.many.frag # found chain 1r9jA in template set T0532 15 :ALLASCDKF 1r9jA 75 :LHMAGYNLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21442 # 1izmA.15.32 read from T0532.t2k.many.frag # found chain 1izmA in template set Warning: unaligning (T0532)S19 (1izmA)G35 because T (delta_L) conformation "forbidden" or filtered. T0532 15 :ALLA 1izmA 31 :LLCG T0532 20 :CDKF 1izmA 36 :LKDQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=21444 # 2bmaA.15.136 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)K22 (2bmaA)M121 because E (beta_S) conformation "forbidden" or filtered. T0532 15 :ALLASCD 2bmaA 114 :NSLTGLS T0532 23 :F 2bmaA 122 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=21446 # 1l8aA.15.91 read from T0532.t2k.many.frag # found chain 1l8aA in template set T0532 15 :ALLASCDKF 1l8aA 92 :TVLRASKKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21447 # 1kp6A.15.29 read from T0532.t2k.many.frag # found chain 1kp6A in training set Warning: unaligning (T0532)C20 (1kp6A)C35 because E (beta_S) conformation "forbidden" or filtered. T0532 15 :ALLAS 1kp6A 30 :ATAAG T0532 21 :DKF 1kp6A 36 :GDH Number of specific fragments extracted= 2 number of extra gaps= 1 total=21449 # 1oohA.15.13 read from T0532.t2k.many.frag # found chain 1oohA in training set T0532 15 :ALLASCDKF 1oohA 12 :MIRSGCAPK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21450 # 1kicA.15.32 read from T0532.t2k.many.frag # found chain 1kicA in training set T0532 15 :ALLASCDKF 1kicA 21 :LLASNTEKV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21451 # 2b61A.15.104 read from T0532.t2k.many.frag # found chain 2b61A in template set Warning: unaligning (T0532)A18 (2b61A)G89 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)K22 (2b61A)G93 because T (delta_L) conformation "forbidden" or filtered. T0532 15 :ALL 2b61A 86 :NVL T0532 19 :SCD 2b61A 90 :GCK T0532 23 :F 2b61A 94 :T Number of specific fragments extracted= 3 number of extra gaps= 2 total=21454 # 1rx0A.15.88 read from T0532.t2k.many.frag # found chain 1rx0A in training set Warning: unaligning (T0532)C20 (1rx0A)C94 because E (beta_S) conformation "forbidden" or filtered. T0532 15 :ALLAS 1rx0A 89 :ALATG T0532 21 :DKF 1rx0A 95 :TST Number of specific fragments extracted= 2 number of extra gaps= 1 total=21456 # 1oxwA.15.70 read from T0532.t2k.many.frag # found chain 1oxwA in template set Warning: unaligning (T0532)A18 (1oxwA)S87 because G (3-10) conformation "forbidden" or filtered. T0532 15 :ALL 1oxwA 84 :AMI T0532 19 :SCDKF 1oxwA 88 :TPNEN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21458 # 1ql0A.16.90 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 16 :LLASCDKFD 1ql0A 95 :SLAGVSDWE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21459 # 1jdhA.16.211 read from T0532.t2k.many.frag # found chain 1jdhA in template set Warning: unaligning (T0532)C20 (1jdhA)C350 because P (beta_P) conformation "forbidden" or filtered. T0532 16 :LLAS 1jdhA 346 :VLSV T0532 21 :DKFD 1jdhA 351 :SSNK Number of specific fragments extracted= 2 number of extra gaps= 1 total=21461 # 1vin.16.70 read from T0532.t2k.many.frag # found chain 1vin in template set Warning: unaligning (T0532)K22 (1vin)S247 because P (beta_P) conformation "forbidden" or filtered. T0532 16 :LLASCD 1vin 241 :RFLSSM T0532 23 :FD 1vin 248 :VL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21463 # 1yvrA.16.97 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 16 :LLASCDKFD 1yvrA 98 :VCSQCSDIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21464 # 1sjwA.16.15 read from T0532.t2k.many.frag # found chain 1sjwA in training set Warning: unaligning (T0532)A18 because of BadResidue code BAD_PEPTIDE in next template residue (1sjwA)R19 Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE at template residue (1sjwA)R19 T0532 16 :LL 1sjwA 16 :NT T0532 20 :CDKFD 1sjwA 20 :TDDVD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21466 # 1oxwA.16.70 read from T0532.t2k.many.frag # found chain 1oxwA in template set Warning: unaligning (T0532)A18 (1oxwA)I86 because G (3-10) conformation "forbidden" or filtered. T0532 16 :LL 1oxwA 84 :AM T0532 19 :SCDKFD 1oxwA 87 :STPNEN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21468 # 1nlfA.16.52 read from T0532.t2k.many.frag # found chain 1nlfA in template set Warning: unaligning (T0532)S19 (1nlfA)G56 because T (delta_L) conformation "forbidden" or filtered. T0532 16 :LLA 1nlfA 53 :QIA T0532 20 :CDKFD 1nlfA 57 :GPDLL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21470 # 2bptA.16.357 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 16 :LLASCDKFD 2bptA 358 :FAQNCGNHI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21471 # 1hs6A.16.349 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 16 :LLASCDKFD 1hs6A 349 :LQNSVKTFG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21472 # 1z9hA.16.87 read from T0532.t2k.many.frag # found chain 1z9hA in template set Warning: unaligning (T0532)D21 (1z9hA)Q180 because P (beta_P) conformation "forbidden" or filtered. T0532 16 :LLASC 1z9hA 175 :YLVSG T0532 22 :KFD 1z9hA 181 :PLE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21474 # 1ikpA.16.260 read from T0532.t2k.many.frag # found chain 1ikpA in training set Warning: unaligning (T0532)C20 (1ikpA)C265 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D21 (1ikpA)H266 because L (left) conformation "forbidden" or filtered. T0532 16 :LLAS 1ikpA 261 :AHQA T0532 22 :KFD 1ikpA 267 :LPL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21476 # 1vns.16.64 read from T0532.t2k.many.frag # found chain 1vns in training set Warning: unaligning (T0532)C20 (1vns)C69 because D (zeta) conformation "forbidden" or filtered. T0532 16 :LLAS 1vns 65 :YFSI T0532 21 :DKFD 1vns 70 :PPTD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21478 # 2bptA.16.358 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)S19 (2bptA)C362 because G (3-10) conformation "forbidden" or filtered. T0532 16 :LLA 2bptA 359 :AQN T0532 20 :CDKFD 2bptA 363 :GNHIL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21480 # 1ho8A.16.103 read from T0532.t2k.many.frag # found chain 1ho8A in template set T0532 16 :LLASCDKFD 1ho8A 102 :ELLSSDKYG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21481 # 1zgmA.16.37 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)D21 (1zgmA)C31 because P (beta_P) conformation "forbidden" or filtered. T0532 16 :LLASC 1zgmA 26 :LAHCG T0532 22 :KFD 1zgmA 32 :SWD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21483 # 1llfA.16.216 read from T0532.t2k.many.frag # found chain 1llfA in training set Warning: unaligning (T0532)D21 (1llfA)N222 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1llfA)G224 because T (delta_L) conformation "forbidden" or filtered. T0532 16 :LLASC 1llfA 217 :CHLIW T0532 22 :K 1llfA 223 :D T0532 24 :D 1llfA 225 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=21486 # 1vns.16.63 read from T0532.t2k.many.frag # found chain 1vns in training set T0532 16 :LLASCDKFD 1vns 64 :AYFSICPPT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21487 # 1dk8A.16.43 read from T0532.t2k.many.frag # found chain 1dk8A in training set T0532 16 :LLASCDKFD 1dk8A 154 :FWFACTGFR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21488 # 1v54A.16.84 read from T0532.t2k.many.frag # found chain 1v54A in training set Warning: unaligning (T0532)S19 (1v54A)G88 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K22 (1v54A)D91 because Y (epsilon') conformation "forbidden" or filtered. T0532 16 :LLA 1v54A 85 :LMI T0532 20 :CD 1v54A 89 :AP T0532 23 :FD 1v54A 92 :MA Number of specific fragments extracted= 3 number of extra gaps= 2 total=21491 1xeaA expands to /projects/compbio/data/pdb/1xea.pdb.gz 1xeaA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1xeaA.16.48 read from T0532.t2k.many.frag # adding 1xeaA to template set # found chain 1xeaA in template set T0532 16 :LLASCDKFD 1xeaA 49 :VSATCTDYR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21492 # 1n5uA.16.29 read from T0532.t2k.many.frag # found chain 1n5uA in template set Warning: unaligning (T0532)S19 (1n5uA)Q33 because G (3-10) conformation "forbidden" or filtered. T0532 16 :LLA 1n5uA 30 :YLQ T0532 20 :CDKFD 1n5uA 34 :CPFED Number of specific fragments extracted= 2 number of extra gaps= 1 total=21494 # 2tpt.16.100 read from T0532.t2k.many.frag # found chain 2tpt in template set T0532 16 :LLASCDKFD 2tpt 101 :MVAACGGYI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21495 # 1gqiA.16.129 read from T0532.t2k.many.frag # found chain 1gqiA in training set Warning: unaligning (T0532)S19 (1gqiA)T137 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D21 (1gqiA)H139 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D24 (1gqiA)E142 because P (beta_P) conformation "forbidden" or filtered. T0532 16 :LLA 1gqiA 134 :LIQ T0532 20 :C 1gqiA 138 :Q T0532 22 :KF 1gqiA 140 :AL Number of specific fragments extracted= 3 number of extra gaps= 3 total=21498 # 1kp6A.16.30 read from T0532.t2k.many.frag # found chain 1kp6A in training set Warning: unaligning (T0532)D21 (1kp6A)G36 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1kp6A)H38 because G (3-10) conformation "forbidden" or filtered. T0532 16 :LLASC 1kp6A 31 :TAAGC T0532 22 :K 1kp6A 37 :D T0532 24 :D 1kp6A 39 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=21501 1ppjB expands to /projects/compbio/data/pdb/1ppj.pdb.gz 1ppjB:# 1ppjB.16.276 read from T0532.t2k.many.frag # adding 1ppjB to template set # found chain 1ppjB in template set Warning: unaligning (T0532)D21 (1ppjB)G282 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1ppjB)H284 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D24 (1ppjB)V285 because E (beta_S) conformation "forbidden" or filtered. T0532 16 :LLASC 1ppjB 277 :HVLGA T0532 22 :K 1ppjB 283 :P Number of specific fragments extracted= 2 number of extra gaps= 2 total=21503 # 1t7lA.16.105 read from T0532.t2k.many.frag # found chain 1t7lA in template set Warning: unaligning (T0532)L17 (1t7lA)G75 because T (delta_L) conformation "forbidden" or filtered. T0532 16 :L 1t7lA 74 :V T0532 18 :ASCDKFD 1t7lA 76 :AVPERFG Number of specific fragments extracted= 2 number of extra gaps= 1 total=21505 # 1vns.16.66 read from T0532.t2k.many.frag # found chain 1vns in training set Warning: unaligning (T0532)A18 (1vns)C69 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)D24 (1vns)T75 because Y (epsilon') conformation "forbidden" or filtered. T0532 16 :LL 1vns 67 :SI T0532 19 :SCDKF 1vns 70 :PPTDF Number of specific fragments extracted= 2 number of extra gaps= 2 total=21507 # 1uwcA.16.20 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 16 :LLASCDKFD 1uwcA 21 :SQAAYADLC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21508 # 1rqpA.16.30 read from T0532.t2k.many.frag # found chain 1rqpA in training set Warning: unaligning (T0532)D24 (1rqpA)T39 because E (beta_S) conformation "forbidden" or filtered. T0532 16 :LLASCDKF 1rqpA 31 :MYSICPDV Number of specific fragments extracted= 1 number of extra gaps= 1 total=21509 # 1ikpA.16.261 read from T0532.t2k.many.frag # found chain 1ikpA in training set Warning: unaligning (T0532)C20 (1ikpA)H266 because L (left) conformation "forbidden" or filtered. T0532 16 :LLAS 1ikpA 262 :HQAC T0532 21 :DKFD 1ikpA 267 :LPLE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21511 # 1ql0A.17.91 read from T0532.t2k.many.frag # found chain 1ql0A in training set Warning: unaligning (T0532)K22 (1ql0A)D101 because G (3-10) conformation "forbidden" or filtered. T0532 17 :LASCD 1ql0A 96 :LAGVS T0532 23 :FDE 1ql0A 102 :WES Number of specific fragments extracted= 2 number of extra gaps= 1 total=21513 # 1jdhA.17.212 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 17 :LASCDKFDE 1jdhA 347 :LSVCSSNKP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21514 # 1sjwA.17.16 read from T0532.t2k.many.frag # found chain 1sjwA in training set Warning: unaligning (T0532)A18 because of BadResidue code BAD_PEPTIDE in next template residue (1sjwA)R19 Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE at template residue (1sjwA)R19 T0532 17 :L 1sjwA 17 :T T0532 20 :CDKFDE 1sjwA 20 :TDDVDE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21516 # 1nlfA.17.53 read from T0532.t2k.many.frag # found chain 1nlfA in template set Warning: unaligning (T0532)E25 (1nlfA)E62 because L (left) conformation "forbidden" or filtered. T0532 17 :LASCDKFD 1nlfA 54 :IAGGPDLL Number of specific fragments extracted= 1 number of extra gaps= 1 total=21517 # 1yvrA.17.98 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 17 :LASCDKFDE 1yvrA 99 :CSQCSDIKT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21518 # 1hs6A.17.350 read from T0532.t2k.many.frag # found chain 1hs6A in template set T0532 17 :LASCDKFDE 1hs6A 350 :QNSVKTFGE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21519 # 1vin.17.71 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 17 :LASCDKFDE 1vin 242 :FLSSMSVLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21520 # 1xeaA.17.49 read from T0532.t2k.many.frag # found chain 1xeaA in template set Warning: unaligning (T0532)C20 (1xeaA)C53 because Y (epsilon') conformation "forbidden" or filtered. T0532 17 :LAS 1xeaA 50 :SAT T0532 21 :DKFDE 1xeaA 54 :TDYRD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21522 # 1dk8A.17.44 read from T0532.t2k.many.frag # found chain 1dk8A in training set T0532 17 :LASCDKFDE 1dk8A 155 :WFACTGFRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21523 # 2bptA.17.358 read from T0532.t2k.many.frag # found chain 2bptA in template set Warning: unaligning (T0532)D21 (2bptA)G363 because S (epsilon) conformation "forbidden" or filtered. T0532 17 :LASC 2bptA 359 :AQNC T0532 22 :KFDE 2bptA 364 :NHIL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21525 # 1rjuV.17.6 read from T0532.t2k.many.frag # found chain 1rjuV in training set T0532 17 :LASCDKFDE 1rjuV 7 :CGSCKNNEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21526 # 1oxwA.17.71 read from T0532.t2k.many.frag # found chain 1oxwA in template set Warning: unaligning (T0532)E25 (1oxwA)N93 because L (left) conformation "forbidden" or filtered. T0532 17 :LASCDKFD 1oxwA 85 :MISTPNEN Number of specific fragments extracted= 1 number of extra gaps= 1 total=21527 # 1uwcA.17.21 read from T0532.t2k.many.frag # found chain 1uwcA in training set Warning: unaligning (T0532)E25 (1uwcA)N30 because L (left) conformation "forbidden" or filtered. T0532 17 :LASCDKFD 1uwcA 22 :QAAYADLC Number of specific fragments extracted= 1 number of extra gaps= 1 total=21528 1dj8A expands to /projects/compbio/data/pdb/1dj8.pdb.gz 1dj8A:# 1dj8A.17.14 read from T0532.t2k.many.frag # adding 1dj8A to template set # found chain 1dj8A in template set Warning: unaligning (T0532)A18 (1dj8A)W16 because P (beta_P) conformation "forbidden" or filtered. T0532 17 :L 1dj8A 15 :S T0532 19 :SCDKFDE 1dj8A 17 :TCEDFLA Number of specific fragments extracted= 2 number of extra gaps= 1 total=21530 # 1l5oA.17.45 read from T0532.t2k.many.frag # found chain 1l5oA in training set Warning: unaligning (T0532)E25 (1l5oA)G54 because T (delta_L) conformation "forbidden" or filtered. T0532 17 :LASCDKFD 1l5oA 46 :LAGMPGLN Number of specific fragments extracted= 1 number of extra gaps= 1 total=21531 # 1vns.17.64 read from T0532.t2k.many.frag # found chain 1vns in training set Warning: unaligning (T0532)K22 (1vns)P70 because P (beta_P) conformation "forbidden" or filtered. T0532 17 :LASCD 1vns 65 :YFSIC T0532 23 :FDE 1vns 71 :PTD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21533 1unlD expands to /projects/compbio/data/pdb/1unl.pdb.gz 1unlD:# 1unlD.17.60 read from T0532.t2k.many.frag # adding 1unlD to template set # found chain 1unlD in template set T0532 17 :LASCDKFDE 1unlD 160 :CRRCYRLKH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21534 # 1vns.17.65 read from T0532.t2k.many.frag # found chain 1vns in training set Warning: unaligning (T0532)E25 (1vns)F74 because Y (epsilon') conformation "forbidden" or filtered. T0532 17 :LASCDKFD 1vns 66 :FSICPPTD Number of specific fragments extracted= 1 number of extra gaps= 1 total=21535 1w6kA expands to /projects/compbio/data/pdb/1w6k.pdb.gz 1w6kA:# 1w6kA.17.198 read from T0532.t2k.many.frag # adding 1w6kA to template set # found chain 1w6kA in template set Warning: unaligning (T0532)S19 (1w6kA)N201 because L (left) conformation "forbidden" or filtered. T0532 17 :LA 1w6kA 199 :VL T0532 20 :CDKFDE 1w6kA 202 :VYSWEG Number of specific fragments extracted= 2 number of extra gaps= 1 total=21537 # 1ikpA.17.261 read from T0532.t2k.many.frag # found chain 1ikpA in training set Warning: unaligning (T0532)D21 (1ikpA)H266 because L (left) conformation "forbidden" or filtered. T0532 17 :LASC 1ikpA 262 :HQAC T0532 22 :KFDE 1ikpA 267 :LPLE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21539 # 1gqiA.17.130 read from T0532.t2k.many.frag # found chain 1gqiA in training set Warning: unaligning (T0532)C20 (1gqiA)Q138 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1gqiA)L141 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)E25 (1gqiA)K143 because L (left) conformation "forbidden" or filtered. T0532 17 :LAS 1gqiA 135 :IQT T0532 21 :DK 1gqiA 139 :HA T0532 24 :D 1gqiA 142 :E Number of specific fragments extracted= 3 number of extra gaps= 3 total=21542 # 1kp6A.17.31 read from T0532.t2k.many.frag # found chain 1kp6A in training set T0532 17 :LASCDKFDE 1kp6A 32 :AAGCGDHLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21543 1ovnA expands to /projects/compbio/data/pdb/1ovn.pdb.gz 1ovnA:# 1ovnA.17.11 read from T0532.t2k.many.frag # adding 1ovnA to template set # found chain 1ovnA in template set Warning: unaligning (T0532)C20 because first residue in template chain is (1ovnA)C24 Warning: unaligning (T0532)K22 (1ovnA)G26 because T (delta_L) conformation "forbidden" or filtered. T0532 21 :D 1ovnA 25 :T T0532 23 :FDE 1ovnA 27 :CVD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21545 # 1ie9A.17.26 read from T0532.t2k.many.frag # found chain 1ie9A in training set Warning: unaligning (T0532)C20 (1ie9A)Y147 because L (left) conformation "forbidden" or filtered. T0532 17 :LAS 1ie9A 144 :DPT T0532 21 :DKFDE 1ie9A 148 :SDFCQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=21547 # 1dc1A.17.0 read from T0532.t2k.many.frag # found chain 1dc1A in training set Warning: unaligning (T0532)D21 because first residue in template chain is (1dc1A)K5 T0532 22 :KFDE 1dc1A 6 :PFEN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21548 # 2tpt.17.101 read from T0532.t2k.many.frag # found chain 2tpt in template set Warning: unaligning (T0532)D21 (2tpt)G106 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)D24 (2tpt)I109 because D (zeta) conformation "forbidden" or filtered. T0532 17 :LASC 2tpt 102 :VAAC T0532 22 :KF 2tpt 107 :GY T0532 25 :E 2tpt 110 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=21551 1cr1A expands to /projects/compbio/data/pdb/1cr1.pdb.gz 1cr1A:# 1cr1A.17.18 read from T0532.t2k.many.frag # adding 1cr1A to template set # found chain 1cr1A in template set Warning: unaligning (T0532)K22 (1cr1A)G294 because T (delta_L) conformation "forbidden" or filtered. T0532 17 :LASCD 1cr1A 289 :FSGCT T0532 23 :FDE 1cr1A 295 :IND Number of specific fragments extracted= 2 number of extra gaps= 1 total=21553 # 1vr0A.17.50 read from T0532.t2k.many.frag # found chain 1vr0A in template set Warning: unaligning (T0532)K22 (1vr0A)R44 because Y (epsilon') conformation "forbidden" or filtered. T0532 17 :LASCD 1vr0A 39 :NNGCK T0532 23 :FDE 1vr0A 45 :VVP Number of specific fragments extracted= 2 number of extra gaps= 1 total=21555 # 1ox0A.17.105 read from T0532.t2k.many.frag # found chain 1ox0A in training set Warning: unaligning (T0532)C20 (1ox0A)N90 because L (left) conformation "forbidden" or filtered. T0532 17 :LAS 1ox0A 87 :NHA T0532 21 :DKFDE 1ox0A 91 :LDVEA Number of specific fragments extracted= 2 number of extra gaps= 1 total=21557 # 1t7lA.17.106 read from T0532.t2k.many.frag # found chain 1t7lA in template set Warning: unaligning (T0532)L17 (1t7lA)G75 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1t7lA)F81 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D24 (1t7lA)G82 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)E25 (1t7lA)E83 because P (beta_P) conformation "forbidden" or filtered. T0532 18 :ASCDK 1t7lA 76 :AVPER Number of specific fragments extracted= 1 number of extra gaps= 2 total=21558 # 1ql0A.18.92 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 18 :ASCDKFDEI 1ql0A 97 :AGVSDWESL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21559 # 1sjwA.18.17 read from T0532.t2k.many.frag # found chain 1sjwA in training set Warning: unaligning (T0532)A18 because of BadResidue code BAD_PEPTIDE in next template residue (1sjwA)R19 Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE at template residue (1sjwA)R19 Warning: unaligning (T0532)C20 (1sjwA)T20 because G (3-10) conformation "forbidden" or filtered. T0532 21 :DKFDEI 1sjwA 21 :DDVDEY Number of specific fragments extracted= 1 number of extra gaps= 1 total=21560 # 1xeaA.18.50 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 18 :ASCDKFDEI 1xeaA 51 :ATCTDYRDV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21561 # 1hs6A.18.351 read from T0532.t2k.many.frag # found chain 1hs6A in template set Warning: unaligning (T0532)I26 (1hs6A)T359 because G (3-10) conformation "forbidden" or filtered. T0532 18 :ASCDKFDE 1hs6A 351 :NSVKTFGE Number of specific fragments extracted= 1 number of extra gaps= 1 total=21562 # 1ie9A.18.27 read from T0532.t2k.many.frag # found chain 1ie9A in training set Warning: unaligning (T0532)C20 (1ie9A)Y147 because L (left) conformation "forbidden" or filtered. T0532 18 :AS 1ie9A 145 :PT T0532 21 :DKFDEI 1ie9A 148 :SDFCQF Number of specific fragments extracted= 2 number of extra gaps= 1 total=21564 # 1nlfA.18.54 read from T0532.t2k.many.frag # found chain 1nlfA in template set T0532 18 :ASCDKFDEI 1nlfA 55 :AGGPDLLEV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21565 # 1dj8A.18.15 read from T0532.t2k.many.frag # found chain 1dj8A in template set Warning: unaligning (T0532)A18 (1dj8A)W16 because P (beta_P) conformation "forbidden" or filtered. T0532 19 :SCDKFDEI 1dj8A 17 :TCEDFLAV Number of specific fragments extracted= 1 number of extra gaps= 1 total=21566 # 1jdhA.18.213 read from T0532.t2k.many.frag # found chain 1jdhA in template set T0532 18 :ASCDKFDEI 1jdhA 348 :SVCSSNKPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21567 # 1uj8A.18.44 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 18 :ASCDKFDEI 1uj8A 45 :QWICDLEDF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21568 # 1q52A.18.25 read from T0532.t2k.many.frag # found chain 1q52A in training set Warning: unaligning (T0532)K22 (1q52A)G30 because T (delta_L) conformation "forbidden" or filtered. T0532 18 :ASCD 1q52A 26 :RLVD T0532 23 :FDEI 1q52A 31 :FDDL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21570 # 1t7lA.18.107 read from T0532.t2k.many.frag # found chain 1t7lA in template set Warning: unaligning (T0532)F23 (1t7lA)F81 because G (3-10) conformation "forbidden" or filtered. T0532 18 :ASCDK 1t7lA 76 :AVPER T0532 24 :DEI 1t7lA 82 :GEY Number of specific fragments extracted= 2 number of extra gaps= 1 total=21572 # 1uwcA.18.22 read from T0532.t2k.many.frag # found chain 1uwcA in training set Warning: unaligning (T0532)F23 (1uwcA)L28 because L (left) conformation "forbidden" or filtered. T0532 18 :ASCDK 1uwcA 23 :AAYAD T0532 24 :DEI 1uwcA 29 :CNI Number of specific fragments extracted= 2 number of extra gaps= 1 total=21574 1y9lA expands to /projects/compbio/data/pdb/1y9l.pdb.gz 1y9lA:Skipped atom 196, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 200, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 202, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 292, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 296, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 298, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 367, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 371, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 373, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 424, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 428, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 430, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 432, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 434, because occupancy 0.400 <= existing 0.600 in 1y9lA Skipped atom 484, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 488, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 490, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 492, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 494, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 496, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 565, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 569, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 573, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 605, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 607, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 609, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 611, because occupancy 0.500 <= existing 0.500 in 1y9lA Skipped atom 673, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 677, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 679, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 681, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 683, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 789, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 793, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 795, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 797, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 799, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 857, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 861, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 863, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 865, because occupancy 0.300 <= existing 0.700 in 1y9lA Skipped atom 867, because occupancy 0.300 <= existing 0.700 in 1y9lA # 1y9lA.18.12 read from T0532.t2k.many.frag # adding 1y9lA to template set # found chain 1y9lA in template set T0532 18 :ASCDKFDEI 1y9lA 40 :PVSKDYFSI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21575 1mswD expands to /projects/compbio/data/pdb/1msw.pdb.gz 1mswD:# 1mswD.18.5 read from T0532.t2k.many.frag # adding 1mswD to template set # found chain 1mswD in template set Warning: unaligning (T0532)D21 (1mswD)N9 because P (beta_P) conformation "forbidden" or filtered. T0532 18 :ASC 1mswD 6 :IAK T0532 22 :KFDEI 1mswD 10 :DFSDI Number of specific fragments extracted= 2 number of extra gaps= 1 total=21577 # 1rjuV.18.7 read from T0532.t2k.many.frag # found chain 1rjuV in training set Warning: unaligning (T0532)C20 (1rjuV)C10 because G (3-10) conformation "forbidden" or filtered. T0532 18 :AS 1rjuV 8 :GS T0532 21 :DKFDEI 1rjuV 11 :KNNEQC Number of specific fragments extracted= 2 number of extra gaps= 1 total=21579 # 1dc1A.18.1 read from T0532.t2k.many.frag # found chain 1dc1A in training set Warning: unaligning (T0532)D21 because first residue in template chain is (1dc1A)K5 Warning: unaligning (T0532)I26 (1dc1A)H10 because G (3-10) conformation "forbidden" or filtered. T0532 22 :KFDE 1dc1A 6 :PFEN Number of specific fragments extracted= 1 number of extra gaps= 1 total=21580 # 1qg8A.18.45 read from T0532.t2k.many.frag # found chain 1qg8A in training set T0532 18 :ASCDKFDEI 1qg8A 47 :NVIRPFLND Number of specific fragments extracted= 1 number of extra gaps= 0 total=21581 1tf5A expands to /projects/compbio/data/pdb/1tf5.pdb.gz 1tf5A:# 1tf5A.18.30 read from T0532.t2k.many.frag # adding 1tf5A to template set # found chain 1tf5A in template set Warning: unaligning (T0532)F23 (1tf5A)Y33 because G (3-10) conformation "forbidden" or filtered. T0532 18 :ASCDK 1tf5A 28 :AIRGD T0532 24 :DEI 1tf5A 34 :ENL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21583 1rp4A expands to /projects/compbio/data/pdb/1rp4.pdb.gz 1rp4A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1rp4A.18.69 read from T0532.t2k.many.frag # adding 1rp4A to template set # found chain 1rp4A in template set T0532 18 :ASCDKFDEI 1rp4A 108 :DVVEDWDTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21584 # 1gqiA.18.131 read from T0532.t2k.many.frag # found chain 1gqiA in training set Warning: unaligning (T0532)S19 (1gqiA)T137 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)C20 (1gqiA)Q138 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D24 (1gqiA)E142 because P (beta_P) conformation "forbidden" or filtered. T0532 18 :A 1gqiA 136 :Q T0532 21 :DKF 1gqiA 139 :HAL T0532 25 :EI 1gqiA 143 :KL Number of specific fragments extracted= 3 number of extra gaps= 2 total=21587 # 1dk8A.18.45 read from T0532.t2k.many.frag # found chain 1dk8A in training set T0532 18 :ASCDKFDEI 1dk8A 156 :FACTGFRKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21588 # 1ovnA.18.12 read from T0532.t2k.many.frag # found chain 1ovnA in template set Warning: unaligning (T0532)C20 because first residue in template chain is (1ovnA)C24 Warning: unaligning (T0532)D24 (1ovnA)V28 because E (beta_S) conformation "forbidden" or filtered. T0532 21 :DKF 1ovnA 25 :TGC T0532 25 :EI 1ovnA 29 :DL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21590 1gsa expands to /projects/compbio/data/pdb/1gsa.pdb.gz 1gsa:Warning: there is no chain 1gsa will retry with 1gsaA # 1gsa.18.5 read from T0532.t2k.many.frag # adding 1gsa to template set # found chain 1gsa in template set Warning: unaligning (T0532)K22 (1gsa)P10 because P (beta_P) conformation "forbidden" or filtered. T0532 18 :ASCD 1gsa 6 :IVMD T0532 23 :FDEI 1gsa 11 :IANI Number of specific fragments extracted= 2 number of extra gaps= 1 total=21592 # 1yvrA.18.99 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 18 :ASCDKFDEI 1yvrA 100 :SQCSDIKTK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21593 1ll2A expands to /projects/compbio/data/pdb/1ll2.pdb.gz 1ll2A:# 1ll2A.18.108 read from T0532.t2k.many.frag # adding 1ll2A to template set # found chain 1ll2A in template set T0532 18 :ASCDKFDEI 1ll2A 109 :ANIDDLFER Number of specific fragments extracted= 1 number of extra gaps= 0 total=21594 # 1vin.18.72 read from T0532.t2k.many.frag # found chain 1vin in template set Warning: unaligning (T0532)D21 (1vin)M246 because E (beta_S) conformation "forbidden" or filtered. T0532 18 :ASC 1vin 243 :LSS T0532 22 :KFDEI 1vin 247 :SVLRG Number of specific fragments extracted= 2 number of extra gaps= 1 total=21596 # 1ox0A.18.106 read from T0532.t2k.many.frag # found chain 1ox0A in training set Warning: unaligning (T0532)C20 (1ox0A)N90 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)I26 because of BadResidue code BAD_PEPTIDE in next template residue (1ox0A)N97 T0532 18 :AS 1ox0A 88 :HA T0532 21 :DKFDE 1ox0A 91 :LDVEA Number of specific fragments extracted= 2 number of extra gaps= 2 total=21598 # 1mc2A.18.48 read from T0532.t2k.many.frag # found chain 1mc2A in training set T0532 18 :ASCDKFDEI 1mc2A 1050 :CCYKKLTDC Number of specific fragments extracted= 1 number of extra gaps= 0 total=21599 # 1cr1A.18.19 read from T0532.t2k.many.frag # found chain 1cr1A in template set Warning: unaligning (T0532)C20 (1cr1A)C292 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)D21 (1cr1A)T293 because P (beta_P) conformation "forbidden" or filtered. T0532 18 :AS 1cr1A 290 :SG T0532 22 :KFDEI 1cr1A 294 :GINDK Number of specific fragments extracted= 2 number of extra gaps= 1 total=21601 2btoA expands to /projects/compbio/data/pdb/2bto.pdb.gz 2btoA:# 2btoA.18.157 read from T0532.t2k.many.frag # adding 2btoA to template set # found chain 2btoA in template set Warning: unaligning (T0532)F23 because of BadResidue code BAD_PEPTIDE in next template residue (2btoA)G164 Warning: unaligning (T0532)D24 because of BadResidue code BAD_PEPTIDE at template residue (2btoA)G164 T0532 18 :ASCDK 2btoA 158 :SLKEK T0532 25 :EI 2btoA 165 :EI Number of specific fragments extracted= 2 number of extra gaps= 1 total=21603 # 1ql0A.19.93 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 19 :SCDKFDEIN 1ql0A 98 :GVSDWESLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21604 # 1ie9A.19.28 read from T0532.t2k.many.frag # found chain 1ie9A in training set T0532 19 :SCDKFDEIN 1ie9A 146 :TYSDFCQFR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21605 # 1xeaA.19.51 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 19 :SCDKFDEIN 1xeaA 52 :TCTDYRDVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21606 # 1sjwA.19.18 read from T0532.t2k.many.frag # found chain 1sjwA in training set Warning: unaligning (T0532)S19 because of BadResidue code BAD_PEPTIDE at template residue (1sjwA)R19 Warning: unaligning (T0532)C20 (1sjwA)T20 because G (3-10) conformation "forbidden" or filtered. T0532 21 :DKFDEIN 1sjwA 21 :DDVDEYI Number of specific fragments extracted= 1 number of extra gaps= 1 total=21607 # 1uj8A.19.45 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 19 :SCDKFDEIN 1uj8A 46 :WICDLEDFD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21608 # 1hs6A.19.352 read from T0532.t2k.many.frag # found chain 1hs6A in template set Warning: unaligning (T0532)D24 (1hs6A)G357 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)N27 (1hs6A)H360 because P (beta_P) conformation "forbidden" or filtered. T0532 19 :SCDKF 1hs6A 352 :SVKTF T0532 25 :EI 1hs6A 358 :ET Number of specific fragments extracted= 2 number of extra gaps= 2 total=21610 # 1dj8A.19.16 read from T0532.t2k.many.frag # found chain 1dj8A in template set T0532 19 :SCDKFDEIN 1dj8A 17 :TCEDFLAVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21611 # 1q52A.19.26 read from T0532.t2k.many.frag # found chain 1q52A in training set Warning: unaligning (T0532)K22 (1q52A)G30 because T (delta_L) conformation "forbidden" or filtered. T0532 19 :SCD 1q52A 27 :LVD T0532 23 :FDEIN 1q52A 31 :FDDLT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21613 # 1y9lA.19.13 read from T0532.t2k.many.frag # found chain 1y9lA in template set T0532 19 :SCDKFDEIN 1y9lA 41 :VSKDYFSIP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21614 # 1t7lA.19.108 read from T0532.t2k.many.frag # found chain 1t7lA in template set Warning: unaligning (T0532)D24 (1t7lA)G82 because S (epsilon) conformation "forbidden" or filtered. T0532 19 :SCDKF 1t7lA 77 :VPERF T0532 25 :EIN 1t7lA 83 :EYR Number of specific fragments extracted= 2 number of extra gaps= 1 total=21616 # 1uwcA.19.23 read from T0532.t2k.many.frag # found chain 1uwcA in training set Warning: unaligning (T0532)K22 (1uwcA)D27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1uwcA)L28 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E25 (1uwcA)N30 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)N27 (1uwcA)P32 because P (beta_P) conformation "forbidden" or filtered. T0532 19 :SCD 1uwcA 24 :AYA T0532 24 :D 1uwcA 29 :C T0532 26 :I 1uwcA 31 :I Number of specific fragments extracted= 3 number of extra gaps= 3 total=21619 # 1ll2A.19.109 read from T0532.t2k.many.frag # found chain 1ll2A in template set T0532 19 :SCDKFDEIN 1ll2A 110 :NIDDLFERE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21620 # 1mswD.19.6 read from T0532.t2k.many.frag # found chain 1mswD in template set Warning: unaligning (T0532)D21 (1mswD)N9 because P (beta_P) conformation "forbidden" or filtered. T0532 19 :SC 1mswD 7 :AK T0532 22 :KFDEIN 1mswD 10 :DFSDIE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21622 # 1m1qA.19.37 read from T0532.t2k.many.frag # found chain 1m1qA in training set T0532 19 :SCDKFDEIN 1m1qA 38 :CHGKLSEMD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21623 # 2b9eA.19.155 read from T0532.t2k.many.frag # found chain 2b9eA in template set Warning: unaligning (T0532)N27 (2b9eA)S290 because P (beta_P) conformation "forbidden" or filtered. T0532 19 :SCDKFDEI 2b9eA 282 :AEEDFLAV Number of specific fragments extracted= 1 number of extra gaps= 1 total=21624 # 1rp4A.19.70 read from T0532.t2k.many.frag # found chain 1rp4A in template set T0532 19 :SCDKFDEIN 1rp4A 109 :VVEDWDTLP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21625 # 1nlfA.19.55 read from T0532.t2k.many.frag # found chain 1nlfA in template set T0532 19 :SCDKFDEIN 1nlfA 56 :GGPDLLEVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21626 # 1mc2A.19.49 read from T0532.t2k.many.frag # found chain 1mc2A in training set Warning: unaligning (T0532)I26 (1mc2A)C1061 because Y (epsilon') conformation "forbidden" or filtered. T0532 19 :SCDKFDE 1mc2A 1051 :CYKKLTD T0532 27 :N 1mc2A 1067 :D Number of specific fragments extracted= 2 number of extra gaps= 1 total=21628 # 1ox0A.19.107 read from T0532.t2k.many.frag # found chain 1ox0A in training set Warning: unaligning (T0532)C20 (1ox0A)N90 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)I26 because of BadResidue code BAD_PEPTIDE in next template residue (1ox0A)N97 Warning: unaligning (T0532)N27 because of BadResidue code BAD_PEPTIDE at template residue (1ox0A)N97 T0532 19 :S 1ox0A 89 :A T0532 21 :DKFDE 1ox0A 91 :LDVEA Number of specific fragments extracted= 2 number of extra gaps= 2 total=21630 # 1dc1A.19.2 read from T0532.t2k.many.frag # found chain 1dc1A in training set Warning: unaligning (T0532)D21 because first residue in template chain is (1dc1A)K5 Warning: unaligning (T0532)I26 (1dc1A)H10 because G (3-10) conformation "forbidden" or filtered. T0532 22 :KFDE 1dc1A 6 :PFEN T0532 27 :N 1dc1A 11 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=21632 # 1vr9A.19.60 read from T0532.t2k.many.frag # found chain 1vr9A in training set T0532 19 :SCDKFDEIN 1vr9A 49 :NKEDLLDLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21633 # 1tn6A.19.67 read from T0532.t2k.many.frag # found chain 1tn6A in training set T0532 19 :SCDKFDEIN 1tn6A 68 :DRAEWADID Number of specific fragments extracted= 1 number of extra gaps= 0 total=21634 1fkmA expands to /projects/compbio/data/pdb/1fkm.pdb.gz 1fkmA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1883, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1885, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1887, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1889, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1891, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1893, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1895, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1897, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1899, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1901, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1974, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1976, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1978, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1980, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1982, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1984, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1986, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1988, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1990, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1992, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 1994, because occupancy 0.500 <= existing 0.500 in 1fkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2603, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2605, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2607, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2609, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2611, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2613, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2615, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2617, because occupancy 0.500 <= existing 0.500 in 1fkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2652, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2654, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2656, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2658, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2660, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2662, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2720, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2722, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2724, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2726, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2728, because occupancy 0.500 <= existing 0.500 in 1fkmA Skipped atom 2730, because occupancy 0.500 <= existing 0.500 in 1fkmA # 1fkmA.19.89 read from T0532.t2k.many.frag # adding 1fkmA to template set # found chain 1fkmA in template set Warning: unaligning (T0532)N27 (1fkmA)N345 because L (left) conformation "forbidden" or filtered. T0532 19 :SCDKFDEI 1fkmA 337 :IEIDIPRT Number of specific fragments extracted= 1 number of extra gaps= 1 total=21635 1sflA expands to /projects/compbio/data/pdb/1sfl.pdb.gz 1sflA:# 1sflA.19.87 read from T0532.t2k.many.frag # adding 1sflA to template set # found chain 1sflA in template set T0532 19 :SCDKFDEIN 1sflA 88 :LISDLANIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21636 # 1ovnA.19.13 read from T0532.t2k.many.frag # found chain 1ovnA in template set Warning: unaligning (T0532)C20 because first residue in template chain is (1ovnA)C24 Warning: unaligning (T0532)K22 (1ovnA)G26 because T (delta_L) conformation "forbidden" or filtered. T0532 21 :D 1ovnA 25 :T T0532 23 :FDEIN 1ovnA 27 :CVDLD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21638 # 1qg8A.19.46 read from T0532.t2k.many.frag # found chain 1qg8A in training set T0532 19 :SCDKFDEIN 1qg8A 48 :VIRPFLNDN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21639 # 2btoA.19.158 read from T0532.t2k.many.frag # found chain 2btoA in template set Warning: unaligning (T0532)F23 because of BadResidue code BAD_PEPTIDE in next template residue (2btoA)G164 Warning: unaligning (T0532)D24 because of BadResidue code BAD_PEPTIDE at template residue (2btoA)G164 T0532 19 :SCDK 2btoA 159 :LKEK T0532 25 :EIN 2btoA 165 :EIP Number of specific fragments extracted= 2 number of extra gaps= 1 total=21641 2absA expands to /projects/compbio/data/pdb/2abs.pdb.gz 2absA:Skipped atom 697, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 699, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 701, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 703, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 705, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 707, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 709, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 711, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 713, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 884, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 886, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 888, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 890, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 892, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 894, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 896, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 898, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 900, because occupancy 0.440 <= existing 0.560 in 2absA Skipped atom 1191, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1193, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1195, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1197, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1199, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1201, because occupancy 0.350 <= existing 0.650 in 2absA Skipped atom 1230, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1231, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1233, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1234, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1236, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1237, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1239, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1240, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1242, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1243, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1245, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1246, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1248, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 1249, because occupancy 0.270 <= existing 0.460 in 2absA Skipped atom 2088, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2090, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2092, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2094, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2096, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2098, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2100, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2102, because occupancy 0.410 <= existing 0.590 in 2absA Skipped atom 2177, because occupancy 0.330 <= existing 0.670 in 2absA Skipped atom 2179, because occupancy 0.330 <= existing 0.670 in 2absA Skipped atom 2345, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2347, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2349, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2351, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2353, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2355, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2357, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2359, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2361, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2363, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2365, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2367, because occupancy 0.260 <= existing 0.740 in 2absA Skipped atom 2467, because occupancy 0.430 <= existing 0.570 in 2absA Skipped atom 2469, because occupancy 0.430 <= existing 0.570 in 2absA Skipped atom 2471, because occupancy 0.430 <= existing 0.570 in 2absA Skipped atom 2527, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2529, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2531, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2533, because occupancy 0.370 <= existing 0.630 in 2absA Skipped atom 2854, because occupancy 0.350 <= existing 0.350 in 2absA Skipped atom 2855, because occupancy 0.300 <= existing 0.350 in 2absA Skipped atom 2857, because occupancy 0.350 <= existing 0.350 in 2absA Skipped atom 2858, because occupancy 0.300 <= existing 0.350 in 2absA # 2absA.19.73 read from T0532.t2k.many.frag # adding 2absA to template set # found chain 2absA in template set T0532 19 :SCDKFDEIN 2absA 54 :IYSTLDQFN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21642 # 1xeaA.19.54 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 19 :SCDKFDEIN 1xeaA 55 :DYRDVLQYG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21643 # 1iuqA.19.2 read from T0532.t2k.many.frag # found chain 1iuqA in training set T0532 19 :SCDKFDEIN 1iuqA 4 :HSRKFLDVR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21644 # 1ie9A.20.29 read from T0532.t2k.many.frag # found chain 1ie9A in training set Warning: unaligning (T0532)C20 (1ie9A)Y147 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K22 (1ie9A)D149 because G (3-10) conformation "forbidden" or filtered. T0532 21 :D 1ie9A 148 :S T0532 23 :FDEINT 1ie9A 150 :FCQFRP Number of specific fragments extracted= 2 number of extra gaps= 2 total=21646 # 1ql0A.20.94 read from T0532.t2k.many.frag # found chain 1ql0A in training set Warning: unaligning (T0532)K22 (1ql0A)D101 because G (3-10) conformation "forbidden" or filtered. T0532 20 :CD 1ql0A 99 :VS T0532 23 :FDEINT 1ql0A 102 :WESLNY Number of specific fragments extracted= 2 number of extra gaps= 1 total=21648 # 1uj8A.20.46 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 20 :CDKFDEINT 1uj8A 47 :ICDLEDFDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21649 # 1xeaA.20.52 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 20 :CDKFDEINT 1xeaA 53 :CTDYRDVLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21650 # 1q52A.20.27 read from T0532.t2k.many.frag # found chain 1q52A in training set Warning: unaligning (T0532)K22 (1q52A)G30 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)N27 (1q52A)T35 because G (3-10) conformation "forbidden" or filtered. T0532 20 :CD 1q52A 28 :VD T0532 23 :FDEI 1q52A 31 :FDDL T0532 28 :T 1q52A 36 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=21653 # 1dj8A.20.17 read from T0532.t2k.many.frag # found chain 1dj8A in template set Warning: unaligning (T0532)N27 (1dj8A)D25 because P (beta_P) conformation "forbidden" or filtered. T0532 20 :CDKFDEI 1dj8A 18 :CEDFLAV T0532 28 :T 1dj8A 26 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=21655 # 1y9lA.20.14 read from T0532.t2k.many.frag # found chain 1y9lA in template set Warning: unaligning (T0532)F23 (1y9lA)Y45 because G (3-10) conformation "forbidden" or filtered. T0532 20 :CDK 1y9lA 42 :SKD T0532 24 :DEINT 1y9lA 46 :FSIPN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21657 # 1sjwA.20.19 read from T0532.t2k.many.frag # found chain 1sjwA in training set T0532 20 :CDKFDEINT 1sjwA 20 :TDDVDEYIH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21658 # 1fkmA.20.90 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 20 :CDKFDEINT 1fkmA 338 :EIDIPRTNP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21659 # 1m1qA.20.38 read from T0532.t2k.many.frag # found chain 1m1qA in training set Warning: unaligning (T0532)N27 (1m1qA)D46 because P (beta_P) conformation "forbidden" or filtered. T0532 20 :CDKFDEI 1m1qA 39 :HGKLSEM T0532 28 :T 1m1qA 47 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=21661 # 1mswD.20.7 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 20 :CDKFDEINT 1mswD 8 :KNDFSDIEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21662 # 1ll2A.20.110 read from T0532.t2k.many.frag # found chain 1ll2A in template set Warning: unaligning (T0532)T28 because of BadResidue code BAD_PEPTIDE in next template residue (1ll2A)L120 T0532 20 :CDKFDEIN 1ll2A 111 :IDDLFERE Number of specific fragments extracted= 1 number of extra gaps= 1 total=21663 # 1t7lA.20.109 read from T0532.t2k.many.frag # found chain 1t7lA in template set Warning: unaligning (T0532)F23 (1t7lA)F81 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D24 (1t7lA)G82 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)T28 (1t7lA)G86 because Y (epsilon') conformation "forbidden" or filtered. T0532 20 :CDK 1t7lA 78 :PER T0532 25 :EIN 1t7lA 83 :EYR Number of specific fragments extracted= 2 number of extra gaps= 2 total=21665 # 2b9eA.20.156 read from T0532.t2k.many.frag # found chain 2b9eA in template set T0532 20 :CDKFDEINT 2b9eA 283 :EEDFLAVSP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21666 # 1hs6A.20.353 read from T0532.t2k.many.frag # found chain 1hs6A in template set Warning: unaligning (T0532)D24 (1hs6A)G357 because S (epsilon) conformation "forbidden" or filtered. T0532 20 :CDKF 1hs6A 353 :VKTF T0532 25 :EINT 1hs6A 358 :ETHP Number of specific fragments extracted= 2 number of extra gaps= 1 total=21668 # 1lzlA.20.0 read from T0532.t2k.many.frag # found chain 1lzlA in training set Warning: unaligning (T0532)D21 because first residue in template chain is (1lzlA)T2 T0532 22 :KFDEINT 1lzlA 3 :TFPTLDP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21669 # 1m65A.20.40 read from T0532.t2k.many.frag # found chain 1m65A in training set Warning: unaligning (T0532)E25 (1m65A)D46 because L (left) conformation "forbidden" or filtered. T0532 20 :CDKFD 1m65A 41 :GPDME T0532 26 :INT 1m65A 47 :APH Number of specific fragments extracted= 2 number of extra gaps= 1 total=21671 # 1uwcA.20.24 read from T0532.t2k.many.frag # found chain 1uwcA in training set Warning: unaligning (T0532)K22 (1uwcA)D27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1uwcA)L28 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E25 (1uwcA)N30 because L (left) conformation "forbidden" or filtered. T0532 20 :CD 1uwcA 25 :YA T0532 24 :D 1uwcA 29 :C T0532 26 :INT 1uwcA 31 :IPS Number of specific fragments extracted= 3 number of extra gaps= 2 total=21674 # 1mc2A.20.50 read from T0532.t2k.many.frag # found chain 1mc2A in training set T0532 20 :CDKFDEINT 1mc2A 1052 :YKKLTDCDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21675 # 1nlfA.20.56 read from T0532.t2k.many.frag # found chain 1nlfA in template set T0532 20 :CDKFDEINT 1nlfA 57 :GPDLLEVGE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21676 # 1tn6A.20.68 read from T0532.t2k.many.frag # found chain 1tn6A in training set T0532 20 :CDKFDEINT 1tn6A 69 :RAEWADIDP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21677 # 1sflA.20.88 read from T0532.t2k.many.frag # found chain 1sflA in template set T0532 20 :CDKFDEINT 1sflA 89 :ISDLANING Number of specific fragments extracted= 1 number of extra gaps= 0 total=21678 1t0fC expands to /projects/compbio/data/pdb/1t0f.pdb.gz 1t0fC:# 1t0fC.20.8 read from T0532.t2k.many.frag # adding 1t0fC to template set # found chain 1t0fC in template set T0532 20 :CDKFDEINT 1t0fC 510 :PSDWDSLPD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21679 # 1vr9A.20.61 read from T0532.t2k.many.frag # found chain 1vr9A in training set T0532 20 :CDKFDEINT 1vr9A 50 :KEDLLDLDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21680 # 1rp4A.20.71 read from T0532.t2k.many.frag # found chain 1rp4A in template set T0532 20 :CDKFDEINT 1rp4A 110 :VEDWDTLPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21681 # 1iuqA.20.3 read from T0532.t2k.many.frag # found chain 1iuqA in training set T0532 20 :CDKFDEINT 1iuqA 5 :SRKFLDVRS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21682 # 1fkmA.20.150 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 20 :CDKFDEINT 1fkmA 398 :PSQIDDVEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21683 # 2absA.20.74 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 20 :CDKFDEINT 2absA 55 :YSTLDQFNP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21684 # 2btoA.20.159 read from T0532.t2k.many.frag # found chain 2btoA in template set Warning: unaligning (T0532)F23 because of BadResidue code BAD_PEPTIDE in next template residue (2btoA)G164 Warning: unaligning (T0532)D24 because of BadResidue code BAD_PEPTIDE at template residue (2btoA)G164 T0532 20 :CDK 2btoA 160 :KEK T0532 25 :EINT 2btoA 165 :EIPV Number of specific fragments extracted= 2 number of extra gaps= 1 total=21686 # 1xeaA.20.55 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 20 :CDKFDEINT 1xeaA 56 :YRDVLQYGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=21687 # 1uj8A.21.47 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 21 :DKFDEINTD 1uj8A 48 :CDLEDFDDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21688 # 1ie9A.21.30 read from T0532.t2k.many.frag # found chain 1ie9A in training set T0532 21 :DKFDEINTD 1ie9A 148 :SDFCQFRPP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21689 # 1m1qA.21.39 read from T0532.t2k.many.frag # found chain 1m1qA in training set Warning: unaligning (T0532)D21 (1m1qA)G40 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)N27 (1m1qA)D46 because P (beta_P) conformation "forbidden" or filtered. T0532 22 :KFDEI 1m1qA 41 :KLSEM T0532 28 :TD 1m1qA 47 :AV Number of specific fragments extracted= 2 number of extra gaps= 2 total=21691 # 1fkmA.21.91 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 21 :DKFDEINTD 1fkmA 339 :IDIPRTNPH Number of specific fragments extracted= 1 number of extra gaps= 0 total=21692 # 2b9eA.21.157 read from T0532.t2k.many.frag # found chain 2b9eA in template set T0532 21 :DKFDEINTD 2b9eA 284 :EDFLAVSPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21693 # 1wvfA.21.290 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)T28 (1wvfA)T299 because G (3-10) conformation "forbidden" or filtered. T0532 21 :DKFDEIN 1wvfA 292 :LTRAQYT T0532 29 :D 1wvfA 300 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=21695 # 1ql0A.21.95 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 21 :DKFDEINTD 1ql0A 100 :SDWESLNYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21696 # 1mswD.21.8 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 21 :DKFDEINTD 1mswD 9 :NDFSDIELA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21697 # 1y9lA.21.15 read from T0532.t2k.many.frag # found chain 1y9lA in template set Warning: unaligning (T0532)N27 (1y9lA)P49 because P (beta_P) conformation "forbidden" or filtered. T0532 21 :DKFDEI 1y9lA 43 :KDYFSI T0532 28 :TD 1y9lA 50 :ND Number of specific fragments extracted= 2 number of extra gaps= 1 total=21699 # 1tn6A.21.69 read from T0532.t2k.many.frag # found chain 1tn6A in training set Warning: unaligning (T0532)N27 (1tn6A)D76 because P (beta_P) conformation "forbidden" or filtered. T0532 21 :DKFDEI 1tn6A 70 :AEWADI T0532 28 :TD 1tn6A 77 :PV Number of specific fragments extracted= 2 number of extra gaps= 1 total=21701 # 1ll2A.21.111 read from T0532.t2k.many.frag # found chain 1ll2A in template set Warning: unaligning (T0532)T28 because of BadResidue code BAD_PEPTIDE in next template residue (1ll2A)L120 Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE at template residue (1ll2A)L120 T0532 21 :DKFDEIN 1ll2A 112 :DDLFERE Number of specific fragments extracted= 1 number of extra gaps= 1 total=21702 # 1ow4A.21.60 read from T0532.t2k.many.frag # found chain 1ow4A in training set T0532 21 :DKFDEINTD 1ow4A 50 :DKVGLISPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21703 # 1t7lA.21.110 read from T0532.t2k.many.frag # found chain 1t7lA in template set Warning: unaligning (T0532)D24 (1t7lA)G82 because S (epsilon) conformation "forbidden" or filtered. T0532 21 :DKF 1t7lA 79 :ERF T0532 25 :EINTD 1t7lA 83 :EYRGL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21705 # 1t0fC.21.9 read from T0532.t2k.many.frag # found chain 1t0fC in template set T0532 21 :DKFDEINTD 1t0fC 511 :SDWDSLPDT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21706 # 1uwcA.21.25 read from T0532.t2k.many.frag # found chain 1uwcA in training set Warning: unaligning (T0532)K22 (1uwcA)D27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)F23 (1uwcA)L28 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E25 (1uwcA)N30 because L (left) conformation "forbidden" or filtered. T0532 21 :D 1uwcA 26 :A T0532 24 :D 1uwcA 29 :C T0532 26 :INTD 1uwcA 31 :IPST Number of specific fragments extracted= 3 number of extra gaps= 2 total=21709 # 1mc2A.21.51 read from T0532.t2k.many.frag # found chain 1mc2A in training set Warning: unaligning (T0532)I26 (1mc2A)C1061 because Y (epsilon') conformation "forbidden" or filtered. T0532 21 :DKFDE 1mc2A 1053 :KKLTD T0532 27 :NTD 1mc2A 1067 :DSK Number of specific fragments extracted= 2 number of extra gaps= 1 total=21711 # 1xeaA.21.53 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 21 :DKFDEINTD 1xeaA 54 :TDYRDVLQY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21712 # 1sjwA.21.20 read from T0532.t2k.many.frag # found chain 1sjwA in training set Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE in next template residue (1sjwA)D30 T0532 21 :DKFDEINT 1sjwA 21 :DDVDEYIH Number of specific fragments extracted= 1 number of extra gaps= 1 total=21713 # 1vr9A.21.62 read from T0532.t2k.many.frag # found chain 1vr9A in training set T0532 21 :DKFDEINTD 1vr9A 51 :EDLLDLDLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21714 # 2absA.21.75 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)N27 (2absA)N62 because L (left) conformation "forbidden" or filtered. T0532 21 :DKFDEI 2absA 56 :STLDQF T0532 28 :TD 2absA 63 :PT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21716 # 1q52A.21.28 read from T0532.t2k.many.frag # found chain 1q52A in training set T0532 21 :DKFDEINTD 1q52A 29 :DGFDDLTDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21717 # 1fkmA.21.151 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 21 :DKFDEINTD 1fkmA 399 :SQIDDVEIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=21718 2ew0A expands to /projects/compbio/data/pdb/2ew0.pdb.gz 2ew0A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2ew0A.21.58 read from T0532.t2k.many.frag # adding 2ew0A to template set # found chain 2ew0A in template set Warning: unaligning (T0532)D21 (2ew0A)I59 because E (beta_S) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 2ew0A 60 :DADNVNPH Number of specific fragments extracted= 1 number of extra gaps= 1 total=21719 # 1iuqA.21.4 read from T0532.t2k.many.frag # found chain 1iuqA in training set Warning: unaligning (T0532)T28 (1iuqA)S13 because Y (epsilon') conformation "forbidden" or filtered. T0532 21 :DKFDEIN 1iuqA 6 :RKFLDVR T0532 29 :D 1iuqA 14 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=21721 # 1iomA.21.99 read from T0532.t2k.many.frag # found chain 1iomA in training set T0532 21 :DKFDEINTD 1iomA 100 :SEFGMLDPT Number of specific fragments extracted= 1 number of extra gaps= 0 total=21722 # 1sflA.21.89 read from T0532.t2k.many.frag # found chain 1sflA in template set T0532 21 :DKFDEINTD 1sflA 90 :SDLANINGI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21723 # 1h70A.21.12 read from T0532.t2k.many.frag # found chain 1h70A in training set Warning: unaligning (T0532)N27 (1h70A)L18 because P (beta_P) conformation "forbidden" or filtered. T0532 21 :DKFDEI 1h70A 12 :RSLVDG T0532 28 :TD 1h70A 19 :TS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21725 # 1nlfA.21.57 read from T0532.t2k.many.frag # found chain 1nlfA in template set Warning: unaligning (T0532)D21 (1nlfA)P58 because P (beta_P) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 1nlfA 59 :DLLEVGEL Number of specific fragments extracted= 1 number of extra gaps= 1 total=21726 # 1dj8A.21.18 read from T0532.t2k.many.frag # found chain 1dj8A in template set T0532 21 :DKFDEINTD 1dj8A 19 :EDFLAVDES Number of specific fragments extracted= 1 number of extra gaps= 0 total=21727 # 1hs6A.21.354 read from T0532.t2k.many.frag # found chain 1hs6A in template set Warning: unaligning (T0532)D24 (1hs6A)G357 because S (epsilon) conformation "forbidden" or filtered. T0532 21 :DKF 1hs6A 354 :KTF T0532 25 :EINTD 1hs6A 358 :ETHPF Number of specific fragments extracted= 2 number of extra gaps= 1 total=21729 # 1uj8A.22.48 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 22 :KFDEINTDP 1uj8A 49 :DLEDFDDDP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21730 # 1ie9A.22.31 read from T0532.t2k.many.frag # found chain 1ie9A in training set Warning: unaligning (T0532)P30 (1ie9A)V157 because E (beta_S) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 1ie9A 149 :DFCQFRPP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21731 # 1wvfA.22.291 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)N27 (1wvfA)T298 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)T28 (1wvfA)T299 because G (3-10) conformation "forbidden" or filtered. T0532 22 :KFDEI 1wvfA 293 :TRAQY T0532 29 :DP 1wvfA 300 :EP Number of specific fragments extracted= 2 number of extra gaps= 1 total=21733 # 1fkmA.22.92 read from T0532.t2k.many.frag # found chain 1fkmA in template set Warning: unaligning (T0532)P30 (1fkmA)I348 because E (beta_S) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 1fkmA 340 :DIPRTNPH Number of specific fragments extracted= 1 number of extra gaps= 1 total=21734 # 1ow4A.22.61 read from T0532.t2k.many.frag # found chain 1ow4A in training set Warning: unaligning (T0532)D24 (1ow4A)G53 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1ow4A)G59 because T (delta_L) conformation "forbidden" or filtered. T0532 22 :KF 1ow4A 51 :KV T0532 25 :EINTD 1ow4A 54 :LISPE Number of specific fragments extracted= 2 number of extra gaps= 2 total=21736 # 1tn6A.22.70 read from T0532.t2k.many.frag # found chain 1tn6A in training set T0532 22 :KFDEINTDP 1tn6A 71 :EWADIDPVP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21737 # 1m1qA.22.40 read from T0532.t2k.many.frag # found chain 1m1qA in training set Warning: unaligning (T0532)K22 (1m1qA)K41 because P (beta_P) conformation "forbidden" or filtered. T0532 23 :FDEINTDP 1m1qA 42 :LSEMDAVH Number of specific fragments extracted= 1 number of extra gaps= 1 total=21738 # 2b9eA.22.158 read from T0532.t2k.many.frag # found chain 2b9eA in template set T0532 22 :KFDEINTDP 2b9eA 285 :DFLAVSPSD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21739 1ofcX expands to /projects/compbio/data/pdb/1ofc.pdb.gz 1ofcX:Skipped atom 750, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 752, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 754, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 755, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 756, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 938, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 939, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 940, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 941, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 942, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1434, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1435, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1436, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1437, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1438, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1439, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1440, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1732, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1733, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1734, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1735, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1818, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1819, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1820, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1821, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1822, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1823, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1824, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1854, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1855, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1856, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1857, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1858, because occupancy 0.500 <= existing 0.500 in 1ofcX Skipped atom 1859, because occupancy 0.500 <= existing 0.500 in 1ofcX # 1ofcX.22.131 read from T0532.t2k.many.frag # adding 1ofcX to template set # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 1ofcX 819 :DIDNIAKD Number of specific fragments extracted= 1 number of extra gaps= 1 total=21740 # 1mswD.22.9 read from T0532.t2k.many.frag # found chain 1mswD in template set Warning: unaligning (T0532)K22 (1mswD)D10 because N (gamma') conformation "forbidden" or filtered. T0532 23 :FDEINTDP 1mswD 11 :FSDIELAA Number of specific fragments extracted= 1 number of extra gaps= 1 total=21741 1yewC expands to /projects/compbio/data/pdb/1yew.pdb.gz 1yewC:# 1yewC.22.110 read from T0532.t2k.many.frag # adding 1yewC to template set # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 1yewC 111 :LWKTRDRN Number of specific fragments extracted= 1 number of extra gaps= 1 total=21742 # 1iomA.22.100 read from T0532.t2k.many.frag # found chain 1iomA in training set T0532 22 :KFDEINTDP 1iomA 101 :EFGMLDPTE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21743 # 1y9lA.22.16 read from T0532.t2k.many.frag # found chain 1y9lA in template set T0532 22 :KFDEINTDP 1y9lA 44 :DYFSIPNDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21744 1v74A expands to /projects/compbio/data/pdb/1v74.pdb.gz 1v74A:# 1v74A.22.20 read from T0532.t2k.many.frag # adding 1v74A to template set # found chain 1v74A in template set Warning: unaligning (T0532)I26 (1v74A)F615 because G (3-10) conformation "forbidden" or filtered. T0532 22 :KFDE 1v74A 611 :HAGD T0532 27 :NTDP 1v74A 616 :GISD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21746 # 1i1wA.22.49 read from T0532.t2k.many.frag # found chain 1i1wA in training set T0532 22 :KFDEINTDP 1i1wA 50 :KWDATEPSQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21747 # 1ql0A.22.96 read from T0532.t2k.many.frag # found chain 1ql0A in training set T0532 22 :KFDEINTDP 1ql0A 101 :DWESLNYLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21748 1h6gA expands to /projects/compbio/data/pdb/1h6g.pdb.gz 1h6gA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1h6gA.22.8 read from T0532.t2k.many.frag # adding 1h6gA to template set # found chain 1h6gA in template set T0532 22 :KFDEINTDP 1h6gA 385 :AVMDHVSDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21749 # 1fkmA.22.152 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 22 :KFDEINTDP 1fkmA 400 :QIDDVEIKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21750 # 1vr9A.22.63 read from T0532.t2k.many.frag # found chain 1vr9A in training set T0532 22 :KFDEINTDP 1vr9A 52 :DLLDLDLDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21751 1gvhA expands to /projects/compbio/data/pdb/1gvh.pdb.gz 1gvhA:# 1gvhA.22.37 read from T0532.t2k.many.frag # adding 1gvhA to template set # found chain 1gvhA in template set Warning: unaligning (T0532)N27 (1gvhA)F43 because P (beta_P) conformation "forbidden" or filtered. T0532 22 :KFDEI 1gvhA 38 :ELKEI T0532 28 :TDP 1gvhA 44 :NMS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21753 # 1kwgA.22.36 read from T0532.t2k.many.frag # found chain 1kwgA in training set T0532 22 :KFDEINTDP 1kwgA 37 :AWALLEPEP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21754 1s7mA expands to /projects/compbio/data/pdb/1s7m.pdb.gz 1s7mA:# 1s7mA.22.56 read from T0532.t2k.many.frag # adding 1s7mA to template set # found chain 1s7mA in template set T0532 22 :KFDEINTDP 1s7mA 597 :KFGDANFDP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21755 # 1h70A.22.13 read from T0532.t2k.many.frag # found chain 1h70A in training set T0532 22 :KFDEINTDP 1h70A 13 :SLVDGLTSS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21756 1zr6A expands to /projects/compbio/data/pdb/1zr6.pdb.gz 1zr6A:# 1zr6A.22.396 read from T0532.t2k.many.frag # adding 1zr6A to template set # found chain 1zr6A in template set Warning: unaligning (T0532)D29 (1zr6A)P398 because C (cis) conformation "forbidden" or filtered. T0532 22 :KFDEINT 1zr6A 391 :DYENNTS T0532 30 :P 1zr6A 399 :Y Number of specific fragments extracted= 2 number of extra gaps= 1 total=21758 # 1xg0C.22.62 read from T0532.t2k.many.frag # found chain 1xg0C in training set Warning: unaligning (T0532)P30 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xg0C)C73 T0532 22 :KFDEINTD 1xg0C 63 :NPSLISPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21759 # 1l5oA.22.193 read from T0532.t2k.many.frag # found chain 1l5oA in training set Warning: unaligning (T0532)P30 (1l5oA)G202 because S (epsilon) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 1l5oA 194 :DAKEVVGI Number of specific fragments extracted= 1 number of extra gaps= 1 total=21760 # 1fkmA.22.155 read from T0532.t2k.many.frag # found chain 1fkmA in template set Warning: unaligning (T0532)P30 (1fkmA)T411 because G (3-10) conformation "forbidden" or filtered. T0532 22 :KFDEINTD 1fkmA 403 :DVEIKDPS Number of specific fragments extracted= 1 number of extra gaps= 1 total=21761 1lvfA expands to /projects/compbio/data/pdb/1lvf.pdb.gz 1lvfA:# 1lvfA.22.26 read from T0532.t2k.many.frag # adding 1lvfA to template set # found chain 1lvfA in template set Warning: unaligning (T0532)D29 (1lvfA)G34 because S (epsilon) conformation "forbidden" or filtered. T0532 22 :KFDEINT 1lvfA 27 :RWTELLQ T0532 30 :P 1lvfA 35 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=21763 # 1ll2A.22.112 read from T0532.t2k.many.frag # found chain 1ll2A in template set Warning: unaligning (T0532)T28 because of BadResidue code BAD_PEPTIDE in next template residue (1ll2A)L120 Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE at template residue (1ll2A)L120 Warning: unaligning (T0532)P30 (1ll2A)S121 because E (beta_S) conformation "forbidden" or filtered. T0532 22 :KFDEIN 1ll2A 113 :DLFERE Number of specific fragments extracted= 1 number of extra gaps= 1 total=21764 # 2absA.22.76 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)N27 (2absA)N62 because L (left) conformation "forbidden" or filtered. T0532 22 :KFDEI 2absA 57 :TLDQF T0532 28 :TDP 2absA 63 :PTS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21766 # 1uj8A.23.49 read from T0532.t2k.many.frag # found chain 1uj8A in training set Warning: unaligning (T0532)T28 (1uj8A)D55 because Y (epsilon') conformation "forbidden" or filtered. T0532 23 :FDEIN 1uj8A 50 :LEDFD T0532 29 :DPD 1uj8A 56 :DPQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=21768 # 1ow4A.23.62 read from T0532.t2k.many.frag # found chain 1ow4A in training set Warning: unaligning (T0532)P30 (1ow4A)G59 because T (delta_L) conformation "forbidden" or filtered. T0532 23 :FDEINTD 1ow4A 52 :VGLISPE T0532 31 :D 1ow4A 60 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=21770 # 1yewC.23.111 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. T0532 23 :FDEINTD 1yewC 112 :WKTRDRN T0532 31 :D 1yewC 120 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=21772 # 1i1wA.23.50 read from T0532.t2k.many.frag # found chain 1i1wA in training set T0532 23 :FDEINTDPD 1i1wA 51 :WDATEPSQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21773 # 1kwgA.23.37 read from T0532.t2k.many.frag # found chain 1kwgA in training set Warning: unaligning (T0532)D31 (1kwgA)G46 because T (delta_L) conformation "forbidden" or filtered. T0532 23 :FDEINTDP 1kwgA 38 :WALLEPEP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21774 # 1wvfA.23.292 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)N27 (1wvfA)T298 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)T28 (1wvfA)T299 because G (3-10) conformation "forbidden" or filtered. T0532 23 :FDEI 1wvfA 294 :RAQY T0532 29 :DPD 1wvfA 300 :EPG Number of specific fragments extracted= 2 number of extra gaps= 1 total=21776 # 1ofcX.23.132 read from T0532.t2k.many.frag # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. T0532 23 :FDEINTD 1ofcX 820 :IDNIAKD T0532 31 :D 1ofcX 828 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=21778 # 1v74A.23.21 read from T0532.t2k.many.frag # found chain 1v74A in template set Warning: unaligning (T0532)N27 (1v74A)G616 because T (delta_L) conformation "forbidden" or filtered. T0532 23 :FDEI 1v74A 612 :AGDF T0532 28 :TDPD 1v74A 617 :ISDT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21780 # 1fkmA.23.93 read from T0532.t2k.many.frag # found chain 1fkmA in template set Warning: unaligning (T0532)P30 (1fkmA)I348 because E (beta_S) conformation "forbidden" or filtered. T0532 23 :FDEINTD 1fkmA 341 :IPRTNPH T0532 31 :D 1fkmA 349 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=21782 # 1ie9A.23.32 read from T0532.t2k.many.frag # found chain 1ie9A in training set Warning: unaligning (T0532)D29 (1ie9A)P156 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1ie9A)V157 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1ie9A)R158 because D (zeta) conformation "forbidden" or filtered. T0532 23 :FDEINT 1ie9A 150 :FCQFRP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21783 # 1iomA.23.101 read from T0532.t2k.many.frag # found chain 1iomA in training set T0532 23 :FDEINTDPD 1iomA 102 :FGMLDPTEG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21784 # 1h6gA.23.9 read from T0532.t2k.many.frag # found chain 1h6gA in template set T0532 23 :FDEINTDPD 1h6gA 386 :VMDHVSDSF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21785 # 1lvfA.23.27 read from T0532.t2k.many.frag # found chain 1lvfA in template set Warning: unaligning (T0532)D29 (1lvfA)G34 because S (epsilon) conformation "forbidden" or filtered. T0532 23 :FDEINT 1lvfA 28 :WTELLQ T0532 30 :PD 1lvfA 35 :PS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21787 1wdpA expands to /projects/compbio/data/pdb/1wdp.pdb.gz 1wdpA:Skipped atom 486, because occupancy 0.330 <= existing 0.670 in 1wdpA Skipped atom 488, because occupancy 0.330 <= existing 0.670 in 1wdpA Skipped atom 490, because occupancy 0.330 <= existing 0.670 in 1wdpA Skipped atom 492, because occupancy 0.330 <= existing 0.670 in 1wdpA Skipped atom 494, because occupancy 0.330 <= existing 0.670 in 1wdpA Skipped atom 582, because occupancy 0.500 <= existing 0.500 in 1wdpA Skipped atom 584, because occupancy 0.500 <= existing 0.500 in 1wdpA Skipped atom 1698, because occupancy 0.400 <= existing 0.610 in 1wdpA Skipped atom 1700, because occupancy 0.400 <= existing 0.610 in 1wdpA Skipped atom 1702, because occupancy 0.400 <= existing 0.610 in 1wdpA Skipped atom 1704, because occupancy 0.400 <= existing 0.610 in 1wdpA Skipped atom 1706, because occupancy 0.400 <= existing 0.610 in 1wdpA Skipped atom 1936, because occupancy 0.470 <= existing 0.530 in 1wdpA Skipped atom 1938, because occupancy 0.470 <= existing 0.530 in 1wdpA Skipped atom 1986, because occupancy 0.290 <= existing 0.700 in 1wdpA Skipped atom 1988, because occupancy 0.290 <= existing 0.700 in 1wdpA Skipped atom 2249, because occupancy 0.450 <= existing 0.550 in 1wdpA Skipped atom 2251, because occupancy 0.450 <= existing 0.550 in 1wdpA Skipped atom 2253, because occupancy 0.450 <= existing 0.550 in 1wdpA Skipped atom 2255, because occupancy 0.450 <= existing 0.550 in 1wdpA Skipped atom 2669, because occupancy 0.400 <= existing 0.600 in 1wdpA Skipped atom 2671, because occupancy 0.400 <= existing 0.600 in 1wdpA Skipped atom 2864, because occupancy 0.330 <= existing 0.670 in 1wdpA Skipped atom 2866, because occupancy 0.330 <= existing 0.670 in 1wdpA Skipped atom 3422, because occupancy 0.350 <= existing 0.640 in 1wdpA Skipped atom 3424, because occupancy 0.350 <= existing 0.640 in 1wdpA Skipped atom 3426, because occupancy 0.350 <= existing 0.640 in 1wdpA Skipped atom 3428, because occupancy 0.350 <= existing 0.640 in 1wdpA Skipped atom 3430, because occupancy 0.350 <= existing 0.640 in 1wdpA Skipped atom 3461, because occupancy 0.410 <= existing 0.590 in 1wdpA Skipped atom 3463, because occupancy 0.410 <= existing 0.590 in 1wdpA Skipped atom 3465, because occupancy 0.410 <= existing 0.590 in 1wdpA Skipped atom 3467, because occupancy 0.410 <= existing 0.590 in 1wdpA # 1wdpA.23.19 read from T0532.t2k.many.frag # adding 1wdpA to template set # found chain 1wdpA in template set Warning: unaligning (T0532)D24 (1wdpA)G21 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)E25 because of BadResidue code BAD_PEPTIDE in next template residue (1wdpA)V23 Warning: unaligning (T0532)I26 because of BadResidue code BAD_PEPTIDE at template residue (1wdpA)V23 Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. T0532 23 :F 1wdpA 20 :L T0532 27 :NTD 1wdpA 24 :NVD T0532 31 :D 1wdpA 28 :V Number of specific fragments extracted= 3 number of extra gaps= 2 total=21790 # 1xg0C.23.63 read from T0532.t2k.many.frag # found chain 1xg0C in training set Warning: unaligning (T0532)P30 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xg0C)C73 T0532 23 :FDEINTD 1xg0C 64 :PSLISPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21791 # 1dk8A.23.50 read from T0532.t2k.many.frag # found chain 1dk8A in training set Warning: unaligning (T0532)P30 (1dk8A)D168 because G (3-10) conformation "forbidden" or filtered. T0532 23 :FDEINTD 1dk8A 161 :FRKLEPC T0532 31 :D 1dk8A 169 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=21793 # 1tn6A.23.71 read from T0532.t2k.many.frag # found chain 1tn6A in training set T0532 23 :FDEINTDPD 1tn6A 72 :WADIDPVPQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=21794 1jmtB expands to /projects/compbio/data/pdb/1jmt.pdb.gz 1jmtB:# 1jmtB.23.7 read from T0532.t2k.many.frag # adding 1jmtB to template set # found chain 1jmtB in template set Warning: unaligning (T0532)D29 (1jmtB)G98 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1jmtB)F99 because G (3-10) conformation "forbidden" or filtered. T0532 23 :FDEINT 1jmtB 92 :WDVPPP T0532 31 :D 1jmtB 100 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=21796 2bvlA expands to /projects/compbio/data/pdb/2bvl.pdb.gz 2bvlA:# 2bvlA.23.8 read from T0532.t2k.many.frag # adding 2bvlA to template set # found chain 2bvlA in template set Warning: unaligning (T0532)D29 (2bvlA)V15 because E (beta_S) conformation "forbidden" or filtered. T0532 23 :FDEINT 2bvlA 9 :LEKMAN T0532 30 :PD 2bvlA 16 :RF Number of specific fragments extracted= 2 number of extra gaps= 1 total=21798 # 1wb4A.23.76 read from T0532.t2k.many.frag # found chain 1wb4A in training set T0532 23 :FDEINTDPD 1wb4A 865 :GGGENENTI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21799 # 1s7mA.23.57 read from T0532.t2k.many.frag # found chain 1s7mA in template set T0532 23 :FDEINTDPD 1s7mA 598 :FGDANFDPL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21800 # 1gx5A.23.48 read from T0532.t2k.many.frag # found chain 1gx5A in training set Warning: unaligning (T0532)I26 (1gx5A)V52 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1gx5A)R56 because E (beta_S) conformation "forbidden" or filtered. T0532 23 :FDE 1gx5A 49 :QKK T0532 27 :NTD 1gx5A 53 :TFD T0532 31 :D 1gx5A 57 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=21803 2a5zA expands to /projects/compbio/data/pdb/2a5z.pdb.gz 2a5zA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2a5zA.23.18 read from T0532.t2k.many.frag # adding 2a5zA to template set # found chain 2a5zA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2a5zA)T24 Warning: unaligning (T0532)D29 (2a5zA)T25 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (2a5zA)G27 because Y (epsilon') conformation "forbidden" or filtered. T0532 30 :P 2a5zA 26 :P Number of specific fragments extracted= 1 number of extra gaps= 1 total=21804 # 1fkmA.23.156 read from T0532.t2k.many.frag # found chain 1fkmA in template set Warning: unaligning (T0532)P30 (1fkmA)T411 because G (3-10) conformation "forbidden" or filtered. T0532 23 :FDEINTD 1fkmA 404 :VEIKDPS T0532 31 :D 1fkmA 412 :Y Number of specific fragments extracted= 2 number of extra gaps= 1 total=21806 # 1l5oA.23.194 read from T0532.t2k.many.frag # found chain 1l5oA in training set Warning: unaligning (T0532)N27 (1l5oA)V199 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1l5oA)G202 because S (epsilon) conformation "forbidden" or filtered. T0532 23 :FDEI 1l5oA 195 :AKEV T0532 28 :TD 1l5oA 200 :GI T0532 31 :D 1l5oA 203 :A Number of specific fragments extracted= 3 number of extra gaps= 2 total=21809 1ed1A expands to /projects/compbio/data/pdb/1ed1.pdb.gz 1ed1A:# 1ed1A.23.15 read from T0532.t2k.many.frag # adding 1ed1A to template set # found chain 1ed1A in template set Warning: unaligning (T0532)N27 (1ed1A)R20 because P (beta_P) conformation "forbidden" or filtered. T0532 23 :FDEI 1ed1A 16 :LEKI T0532 28 :TDPD 1ed1A 21 :LRPG Number of specific fragments extracted= 2 number of extra gaps= 1 total=21811 # 1gvhA.23.38 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 23 :FDEINTDPD 1gvhA 39 :LKEIFNMSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21812 # 1zr6A.23.397 read from T0532.t2k.many.frag # found chain 1zr6A in template set Warning: unaligning (T0532)D29 (1zr6A)P398 because C (cis) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1zr6A)P400 because C (cis) conformation "forbidden" or filtered. T0532 23 :FDEINT 1zr6A 392 :YENNTS T0532 30 :P 1zr6A 399 :Y Number of specific fragments extracted= 2 number of extra gaps= 2 total=21814 # 1vr9A.23.64 read from T0532.t2k.many.frag # found chain 1vr9A in training set Warning: unaligning (T0532)D31 (1vr9A)S61 because P (beta_P) conformation "forbidden" or filtered. T0532 23 :FDEINTDP 1vr9A 53 :LLDLDLDS Number of specific fragments extracted= 1 number of extra gaps= 1 total=21815 # 1svsA.23.157 read from T0532.t2k.many.frag # found chain 1svsA in training set Warning: unaligning (T0532)P30 (1svsA)N166 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1svsA)Y167 because P (beta_P) conformation "forbidden" or filtered. T0532 23 :FDEINTD 1svsA 159 :LDRIAQP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21816 # 1uj8A.24.50 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 24 :DEINTDPDA 1uj8A 51 :EDFDDDPQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21817 # 1yewC.24.112 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)D29 (1yewC)N118 because N (gamma') conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1yewC)A121 because D (zeta) conformation "forbidden" or filtered. T0532 24 :DEINT 1yewC 113 :KTRDR T0532 31 :D 1yewC 120 :A Number of specific fragments extracted= 2 number of extra gaps= 2 total=21819 # 1wvfA.24.293 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)N27 (1wvfA)T298 because Y (epsilon') conformation "forbidden" or filtered. T0532 24 :DEI 1wvfA 295 :AQY T0532 28 :TDPDA 1wvfA 299 :TEPGH Number of specific fragments extracted= 2 number of extra gaps= 1 total=21821 # 1ow4A.24.63 read from T0532.t2k.many.frag # found chain 1ow4A in training set Warning: unaligning (T0532)D24 (1ow4A)G53 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1ow4A)G59 because T (delta_L) conformation "forbidden" or filtered. T0532 25 :EINTD 1ow4A 54 :LISPE T0532 31 :DA 1ow4A 60 :AI Number of specific fragments extracted= 2 number of extra gaps= 2 total=21823 # 1kwgA.24.38 read from T0532.t2k.many.frag # found chain 1kwgA in training set Warning: unaligning (T0532)D31 (1kwgA)G46 because T (delta_L) conformation "forbidden" or filtered. T0532 24 :DEINTDP 1kwgA 39 :ALLEPEP T0532 32 :A 1kwgA 47 :R Number of specific fragments extracted= 2 number of extra gaps= 1 total=21825 1ybdA expands to /projects/compbio/data/pdb/1ybd.pdb.gz 1ybdA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1ybdA.24.17 read from T0532.t2k.many.frag # adding 1ybdA to template set # found chain 1ybdA in template set Warning: unaligning (T0532)D31 (1ybdA)F27 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ybdA)G28 because S (epsilon) conformation "forbidden" or filtered. T0532 24 :DEINTDP 1ybdA 20 :SLMGSDP Number of specific fragments extracted= 1 number of extra gaps= 1 total=21826 # 1ofcX.24.133 read from T0532.t2k.many.frag # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1ofcX)E828 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ofcX)G829 because T (delta_L) conformation "forbidden" or filtered. T0532 24 :DEINTD 1ofcX 821 :DNIAKD Number of specific fragments extracted= 1 number of extra gaps= 1 total=21827 # 1v74A.24.22 read from T0532.t2k.many.frag # found chain 1v74A in template set Warning: unaligning (T0532)N27 (1v74A)G616 because T (delta_L) conformation "forbidden" or filtered. T0532 24 :DEI 1v74A 613 :GDF T0532 28 :TDPDA 1v74A 617 :ISDTK Number of specific fragments extracted= 2 number of extra gaps= 1 total=21829 # 1i1wA.24.51 read from T0532.t2k.many.frag # found chain 1i1wA in training set Warning: unaligning (T0532)D31 (1i1wA)G59 because T (delta_L) conformation "forbidden" or filtered. T0532 24 :DEINTDP 1i1wA 52 :DATEPSQ T0532 32 :A 1i1wA 60 :N Number of specific fragments extracted= 2 number of extra gaps= 1 total=21831 # 1h6gA.24.10 read from T0532.t2k.many.frag # found chain 1h6gA in template set Warning: unaligning (T0532)T28 (1h6gA)S391 because T (delta_L) conformation "forbidden" or filtered. T0532 24 :DEIN 1h6gA 387 :MDHV T0532 29 :DPDA 1h6gA 392 :DSFL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21833 # 1wdpA.24.20 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)D24 (1wdpA)G21 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)E25 because of BadResidue code BAD_PEPTIDE in next template residue (1wdpA)V23 Warning: unaligning (T0532)I26 because of BadResidue code BAD_PEPTIDE at template residue (1wdpA)V23 Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 T0532 27 :NTD 1wdpA 24 :NVD T0532 31 :D 1wdpA 28 :V Number of specific fragments extracted= 2 number of extra gaps= 3 total=21835 # 2bvlA.24.9 read from T0532.t2k.many.frag # found chain 2bvlA in template set Warning: unaligning (T0532)D31 (2bvlA)F17 because T (delta_L) conformation "forbidden" or filtered. T0532 24 :DEINTDP 2bvlA 10 :EKMANVR T0532 32 :A 2bvlA 18 :R Number of specific fragments extracted= 2 number of extra gaps= 1 total=21837 # 1lvfA.24.28 read from T0532.t2k.many.frag # found chain 1lvfA in template set Warning: unaligning (T0532)D29 (1lvfA)G34 because S (epsilon) conformation "forbidden" or filtered. T0532 24 :DEINT 1lvfA 29 :TELLQ T0532 30 :PDA 1lvfA 35 :PSA Number of specific fragments extracted= 2 number of extra gaps= 1 total=21839 1xaoA expands to /projects/compbio/data/pdb/1xao.pdb.gz 1xaoA:# 1xaoA.24.74 read from T0532.t2k.many.frag # adding 1xaoA to template set # found chain 1xaoA in template set Warning: unaligning (T0532)D24 (1xaoA)T332 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 25 :EINTDP 1xaoA 333 :IKFPEN T0532 32 :A 1xaoA 340 :F Number of specific fragments extracted= 2 number of extra gaps= 2 total=21841 # 1iomA.24.102 read from T0532.t2k.many.frag # found chain 1iomA in training set T0532 24 :DEINTDPDA 1iomA 103 :GMLDPTEGD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21842 1orjA expands to /projects/compbio/data/pdb/1orj.pdb.gz 1orjA:# 1orjA.24.4 read from T0532.t2k.many.frag # adding 1orjA to template set # found chain 1orjA in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1orjA)M1012 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1orjA)M1012 T0532 24 :DEINTD 1orjA 1005 :AEAYFQ T0532 32 :A 1orjA 1013 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=21844 # 1s7mA.24.58 read from T0532.t2k.many.frag # found chain 1s7mA in template set Warning: unaligning (T0532)D24 (1s7mA)G599 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)N27 (1s7mA)N602 because T (delta_L) conformation "forbidden" or filtered. T0532 25 :EI 1s7mA 600 :DA T0532 28 :TDPDA 1s7mA 603 :FDPLT Number of specific fragments extracted= 2 number of extra gaps= 2 total=21846 # 2a5zA.24.19 read from T0532.t2k.many.frag # found chain 2a5zA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2a5zA)T24 Warning: unaligning (T0532)D31 (2a5zA)G27 because Y (epsilon') conformation "forbidden" or filtered. T0532 29 :DP 2a5zA 25 :TP T0532 32 :A 2a5zA 28 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=21848 1x31D expands to /projects/compbio/data/pdb/1x31.pdb.gz 1x31D:# 1x31D.24.24 read from T0532.t2k.many.frag # adding 1x31D to template set # found chain 1x31D in template set Warning: unaligning (T0532)N27 (1x31D)P28 because P (beta_P) conformation "forbidden" or filtered. T0532 24 :DEI 1x31D 25 :VAY T0532 28 :TDPDA 1x31D 29 :EDPNA Number of specific fragments extracted= 2 number of extra gaps= 1 total=21850 # 1wb4A.24.77 read from T0532.t2k.many.frag # found chain 1wb4A in training set T0532 24 :DEINTDPDA 1wb4A 866 :GGENENTIF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21851 1ps1A expands to /projects/compbio/data/pdb/1ps1.pdb.gz 1ps1A:# 1ps1A.24.79 read from T0532.t2k.many.frag # adding 1ps1A to template set # found chain 1ps1A in template set T0532 24 :DEINTDPDA 1ps1A 80 :DDLFDGPRG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21852 1gxqA expands to /projects/compbio/data/pdb/1gxq.pdb.gz 1gxqA:# 1gxqA.24.57 read from T0532.t2k.many.frag # adding 1gxqA to template set # found chain 1gxqA in template set Warning: unaligning (T0532)T28 (1gxqA)G185 because S (epsilon) conformation "forbidden" or filtered. T0532 24 :DEIN 1gxqA 181 :NHVW T0532 29 :DPDA 1gxqA 186 :TNVY Number of specific fragments extracted= 2 number of extra gaps= 1 total=21854 # 1eyhA.24.11 read from T0532.t2k.many.frag # found chain 1eyhA in training set T0532 24 :DEINTDPDA 1eyhA 26 :EATSNDPWG Number of specific fragments extracted= 1 number of extra gaps= 0 total=21855 # 1ji7A.24.5 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 24 :DEINTDPDA 1ji7A 20 :AHLRLQPIY Number of specific fragments extracted= 1 number of extra gaps= 0 total=21856 1w33A expands to /projects/compbio/data/pdb/1w33.pdb.gz 1w33A:Skipped atom 679, because occupancy 0.350 <= existing 0.650 in 1w33A Skipped atom 680, because occupancy 0.350 <= existing 0.650 in 1w33A Skipped atom 681, because occupancy 0.350 <= existing 0.650 in 1w33A Skipped atom 682, because occupancy 0.350 <= existing 0.650 in 1w33A # 1w33A.24.36 read from T0532.t2k.many.frag # adding 1w33A to template set # found chain 1w33A in template set T0532 24 :DEINTDPDA 1w33A 106 :STFKVGPYD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21857 2az4A expands to /projects/compbio/data/pdb/2az4.pdb.gz 2az4A:# 2az4A.24.222 read from T0532.t2k.many.frag # adding 2az4A to template set # found chain 2az4A in template set Warning: unaligning (T0532)E25 (2az4A)E224 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (2az4A)Q231 because E (beta_S) conformation "forbidden" or filtered. T0532 24 :D 2az4A 223 :P T0532 26 :INTDPD 2az4A 225 :REPDPA Number of specific fragments extracted= 2 number of extra gaps= 2 total=21859 # 1jmtB.24.8 read from T0532.t2k.many.frag # found chain 1jmtB in template set Warning: unaligning (T0532)P30 (1jmtB)F99 because G (3-10) conformation "forbidden" or filtered. T0532 24 :DEINTD 1jmtB 93 :DVPPPG T0532 31 :DA 1jmtB 100 :EH Number of specific fragments extracted= 2 number of extra gaps= 1 total=21861 # 1xg0C.24.64 read from T0532.t2k.many.frag # found chain 1xg0C in training set Warning: unaligning (T0532)N27 (1xg0C)S68 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xg0C)C73 Warning: unaligning (T0532)A32 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xg0C)C73 T0532 24 :DEI 1xg0C 65 :SLI T0532 28 :TD 1xg0C 69 :PS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21863 # 1ew6A.24.31 read from T0532.t2k.many.frag # found chain 1ew6A in training set Warning: unaligning (T0532)P30 (1ew6A)Y38 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ew6A)G40 because L (left) conformation "forbidden" or filtered. T0532 24 :DEINTD 1ew6A 32 :RRYFKN T0532 31 :D 1ew6A 39 :V Number of specific fragments extracted= 2 number of extra gaps= 2 total=21865 # 1svsA.24.158 read from T0532.t2k.many.frag # found chain 1svsA in training set Warning: unaligning (T0532)N27 (1svsA)A163 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1svsA)N166 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1svsA)Y167 because P (beta_P) conformation "forbidden" or filtered. T0532 24 :DEI 1svsA 160 :DRI T0532 28 :TD 1svsA 164 :QP T0532 32 :A 1svsA 168 :I Number of specific fragments extracted= 3 number of extra gaps= 2 total=21868 # 1uj8A.25.51 read from T0532.t2k.many.frag # found chain 1uj8A in training set Warning: unaligning (T0532)T28 (1uj8A)D55 because Y (epsilon') conformation "forbidden" or filtered. T0532 25 :EIN 1uj8A 52 :DFD T0532 29 :DPDAT 1uj8A 56 :DPQAS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21870 # 1ybdA.25.18 read from T0532.t2k.many.frag # found chain 1ybdA in template set Warning: unaligning (T0532)D31 (1ybdA)F27 because Y (epsilon') conformation "forbidden" or filtered. T0532 25 :EINTDP 1ybdA 21 :LMGSDP T0532 32 :AT 1ybdA 28 :GI Number of specific fragments extracted= 2 number of extra gaps= 1 total=21872 1kf6D expands to /projects/compbio/data/pdb/1kf6.pdb.gz 1kf6D:# 1kf6D.25.0 read from T0532.t2k.many.frag # adding 1kf6D to template set # found chain 1kf6D in template set Warning: unaligning (T0532)E25 because first residue in template chain is (1kf6D)M0 Warning: unaligning (T0532)D29 (1kf6D)N4 because D (zeta) conformation "forbidden" or filtered. T0532 26 :INT 1kf6D 1 :INP T0532 30 :PDAT 1kf6D 5 :PKRS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21874 # 1yewC.25.113 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. T0532 25 :EINTD 1yewC 114 :TRDRN T0532 31 :DAT 1yewC 120 :AAL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21876 # 1v74A.25.23 read from T0532.t2k.many.frag # found chain 1v74A in template set Warning: unaligning (T0532)N27 (1v74A)G616 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)T28 (1v74A)I617 because D (zeta) conformation "forbidden" or filtered. T0532 25 :EI 1v74A 614 :DF T0532 29 :DPDAT 1v74A 618 :SDTKK Number of specific fragments extracted= 2 number of extra gaps= 1 total=21878 # 1wvfA.25.294 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)N27 (1wvfA)T298 because Y (epsilon') conformation "forbidden" or filtered. T0532 25 :EI 1wvfA 296 :QY T0532 28 :TDPDAT 1wvfA 299 :TEPGHT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21880 # 1ow4A.25.64 read from T0532.t2k.many.frag # found chain 1ow4A in training set Warning: unaligning (T0532)N27 (1ow4A)S56 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1ow4A)G59 because T (delta_L) conformation "forbidden" or filtered. T0532 25 :EI 1ow4A 54 :LI T0532 28 :TD 1ow4A 57 :PE T0532 31 :DAT 1ow4A 60 :AIY Number of specific fragments extracted= 3 number of extra gaps= 2 total=21883 # 1ofcX.25.134 read from T0532.t2k.many.frag # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1ofcX)E828 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ofcX)G829 because T (delta_L) conformation "forbidden" or filtered. T0532 25 :EINTD 1ofcX 822 :NIAKD T0532 33 :T 1ofcX 830 :K Number of specific fragments extracted= 2 number of extra gaps= 1 total=21885 # 1h6gA.25.11 read from T0532.t2k.many.frag # found chain 1h6gA in template set T0532 25 :EINTDPDAT 1h6gA 388 :DHVSDSFLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21886 # 1wdpA.25.21 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)E25 because of BadResidue code BAD_PEPTIDE in next template residue (1wdpA)V23 Warning: unaligning (T0532)I26 because of BadResidue code BAD_PEPTIDE at template residue (1wdpA)V23 Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 27 :NTD 1wdpA 24 :NVD T0532 31 :D 1wdpA 28 :V Number of specific fragments extracted= 2 number of extra gaps= 3 total=21888 # 1kwgA.25.39 read from T0532.t2k.many.frag # found chain 1kwgA in training set Warning: unaligning (T0532)D31 (1kwgA)G46 because T (delta_L) conformation "forbidden" or filtered. T0532 25 :EINTDP 1kwgA 40 :LLEPEP T0532 32 :AT 1kwgA 47 :RL Number of specific fragments extracted= 2 number of extra gaps= 1 total=21890 # 1xaoA.25.75 read from T0532.t2k.many.frag # found chain 1xaoA in template set Warning: unaligning (T0532)N27 (1xaoA)F335 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 25 :EI 1xaoA 333 :IK T0532 28 :TDP 1xaoA 336 :PEN T0532 32 :AT 1xaoA 340 :FT Number of specific fragments extracted= 3 number of extra gaps= 2 total=21893 # 1x31D.25.25 read from T0532.t2k.many.frag # found chain 1x31D in template set Warning: unaligning (T0532)E25 (1x31D)A26 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)N27 (1x31D)P28 because P (beta_P) conformation "forbidden" or filtered. T0532 26 :I 1x31D 27 :Y T0532 28 :TDPDAT 1x31D 29 :EDPNAL Number of specific fragments extracted= 2 number of extra gaps= 2 total=21895 # 1i1wA.25.52 read from T0532.t2k.many.frag # found chain 1i1wA in training set T0532 25 :EINTDPDAT 1i1wA 53 :ATEPSQGNF Number of specific fragments extracted= 1 number of extra gaps= 0 total=21896 # 2bvlA.25.10 read from T0532.t2k.many.frag # found chain 2bvlA in template set Warning: unaligning (T0532)D31 (2bvlA)F17 because T (delta_L) conformation "forbidden" or filtered. T0532 25 :EINTDP 2bvlA 11 :KMANVR T0532 32 :AT 2bvlA 18 :RT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21898 # 1lvfA.25.29 read from T0532.t2k.many.frag # found chain 1lvfA in template set T0532 25 :EINTDPDAT 1lvfA 30 :ELLQGPSAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=21899 # 1ji7A.25.6 read from T0532.t2k.many.frag # found chain 1ji7A in training set Warning: unaligning (T0532)I26 (1ji7A)L22 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D29 (1ji7A)Q25 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ji7A)Y28 because G (3-10) conformation "forbidden" or filtered. T0532 25 :E 1ji7A 21 :H T0532 27 :NT 1ji7A 23 :RL T0532 30 :PD 1ji7A 26 :PI T0532 33 :T 1ji7A 29 :W Number of specific fragments extracted= 4 number of extra gaps= 3 total=21903 # 1gxqA.25.58 read from T0532.t2k.many.frag # found chain 1gxqA in template set Warning: unaligning (T0532)T28 (1gxqA)G185 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1gxqA)Y189 because S (epsilon) conformation "forbidden" or filtered. T0532 25 :EIN 1gxqA 182 :HVW T0532 29 :DPD 1gxqA 186 :TNV T0532 33 :T 1gxqA 190 :V Number of specific fragments extracted= 3 number of extra gaps= 2 total=21906 # 1iomA.25.103 read from T0532.t2k.many.frag # found chain 1iomA in training set T0532 25 :EINTDPDAT 1iomA 104 :MLDPTEGDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21907 # 2a5zA.25.20 read from T0532.t2k.many.frag # found chain 2a5zA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2a5zA)T24 T0532 29 :DPDAT 2a5zA 25 :TPGLM Number of specific fragments extracted= 1 number of extra gaps= 0 total=21908 # 1orjA.25.5 read from T0532.t2k.many.frag # found chain 1orjA in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1orjA)M1012 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1orjA)M1012 T0532 25 :EINTD 1orjA 1006 :EAYFQ T0532 32 :AT 1orjA 1013 :VE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21910 # 1s7mA.25.59 read from T0532.t2k.many.frag # found chain 1s7mA in template set T0532 25 :EINTDPDAT 1s7mA 600 :DANFDPLTS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21911 1ex2A expands to /projects/compbio/data/pdb/1ex2.pdb.gz 1ex2A:# 1ex2A.25.32 read from T0532.t2k.many.frag # adding 1ex2A to template set # found chain 1ex2A in template set Warning: unaligning (T0532)A32 (1ex2A)F40 because E (beta_S) conformation "forbidden" or filtered. T0532 25 :EINTDPD 1ex2A 33 :EEKLNRN T0532 33 :T 1ex2A 41 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=21913 # 1jmtB.25.9 read from T0532.t2k.many.frag # found chain 1jmtB in template set Warning: unaligning (T0532)E25 (1jmtB)V94 because N (gamma') conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1jmtB)F99 because G (3-10) conformation "forbidden" or filtered. T0532 26 :INTD 1jmtB 95 :PPPG T0532 31 :DAT 1jmtB 100 :EHI Number of specific fragments extracted= 2 number of extra gaps= 2 total=21915 # 2bmaA.25.149 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)E25 (2bmaA)G127 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)I26 (2bmaA)S128 because Y (epsilon') conformation "forbidden" or filtered. T0532 27 :NTDPDAT 2bmaA 129 :DFDPKGK Number of specific fragments extracted= 1 number of extra gaps= 1 total=21916 # 1ps1A.25.80 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 25 :EINTDPDAT 1ps1A 81 :DLFDGPRGE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21917 # 1w33A.25.37 read from T0532.t2k.many.frag # found chain 1w33A in template set T0532 25 :EINTDPDAT 1w33A 107 :TFKVGPYDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=21918 # 1wb4A.25.78 read from T0532.t2k.many.frag # found chain 1wb4A in training set Warning: unaligning (T0532)E25 (1wb4A)G867 because T (delta_L) conformation "forbidden" or filtered. T0532 26 :INTDPDAT 1wb4A 868 :ENENTIFS Number of specific fragments extracted= 1 number of extra gaps= 1 total=21919 # 1ew6A.25.32 read from T0532.t2k.many.frag # found chain 1ew6A in training set Warning: unaligning (T0532)P30 (1ew6A)Y38 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ew6A)G40 because L (left) conformation "forbidden" or filtered. T0532 25 :EINTD 1ew6A 33 :RYFKN T0532 31 :D 1ew6A 39 :V T0532 33 :T 1ew6A 41 :K Number of specific fragments extracted= 3 number of extra gaps= 2 total=21922 # 1eyhA.25.12 read from T0532.t2k.many.frag # found chain 1eyhA in training set Warning: unaligning (T0532)D31 (1eyhA)W33 because E (beta_S) conformation "forbidden" or filtered. T0532 25 :EINTDP 1eyhA 27 :ATSNDP T0532 32 :AT 1eyhA 34 :GP Number of specific fragments extracted= 2 number of extra gaps= 1 total=21924 # 1uj8A.26.52 read from T0532.t2k.many.frag # found chain 1uj8A in training set Warning: unaligning (T0532)T28 (1uj8A)D55 because Y (epsilon') conformation "forbidden" or filtered. T0532 26 :IN 1uj8A 53 :FD T0532 29 :DPDATT 1uj8A 56 :DPQASN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21926 # 1ybdA.26.19 read from T0532.t2k.many.frag # found chain 1ybdA in template set Warning: unaligning (T0532)N27 (1ybdA)G23 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1ybdA)F27 because Y (epsilon') conformation "forbidden" or filtered. T0532 26 :I 1ybdA 22 :M T0532 28 :TDP 1ybdA 24 :SDP T0532 32 :ATT 1ybdA 28 :GIN Number of specific fragments extracted= 3 number of extra gaps= 2 total=21929 # 1kf6D.26.1 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 26 :INTDPDATT 1kf6D 1 :INPNPKRSD Number of specific fragments extracted= 1 number of extra gaps= 0 total=21930 # 1yewC.26.114 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. T0532 26 :INTD 1yewC 115 :RDRN T0532 31 :DATT 1yewC 120 :AALT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21932 # 1v74A.26.24 read from T0532.t2k.many.frag # found chain 1v74A in template set Warning: unaligning (T0532)N27 (1v74A)G616 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)T33 (1v74A)K622 because D (zeta) conformation "forbidden" or filtered. T0532 26 :I 1v74A 615 :F T0532 28 :TDPDA 1v74A 617 :ISDTK T0532 34 :T 1v74A 623 :N Number of specific fragments extracted= 3 number of extra gaps= 2 total=21935 # 1wdpA.26.22 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)I26 because of BadResidue code BAD_PEPTIDE at template residue (1wdpA)V23 Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 27 :NTD 1wdpA 24 :NVD T0532 31 :D 1wdpA 28 :V T0532 34 :T 1wdpA 31 :D Number of specific fragments extracted= 3 number of extra gaps= 3 total=21938 # 1xaoA.26.76 read from T0532.t2k.many.frag # found chain 1xaoA in template set Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 26 :INTDP 1xaoA 334 :KFPEN T0532 32 :ATT 1xaoA 340 :FTS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21940 # 1h6gA.26.12 read from T0532.t2k.many.frag # found chain 1h6gA in template set T0532 26 :INTDPDATT 1h6gA 389 :HVSDSFLET Number of specific fragments extracted= 1 number of extra gaps= 0 total=21941 # 1ji7A.26.7 read from T0532.t2k.many.frag # found chain 1ji7A in training set Warning: unaligning (T0532)D29 (1ji7A)Q25 because P (beta_P) conformation "forbidden" or filtered. T0532 26 :INT 1ji7A 22 :LRL T0532 30 :PDATT 1ji7A 26 :PIYWS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21943 # 1ofcX.26.135 read from T0532.t2k.many.frag # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ofcX)G829 because T (delta_L) conformation "forbidden" or filtered. T0532 26 :INTD 1ofcX 823 :IAKD T0532 31 :D 1ofcX 828 :E T0532 33 :TT 1ofcX 830 :KT Number of specific fragments extracted= 3 number of extra gaps= 2 total=21946 # 1wvfA.26.295 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)D31 (1wvfA)G302 because S (epsilon) conformation "forbidden" or filtered. T0532 26 :INTDP 1wvfA 297 :YTTEP T0532 32 :ATT 1wvfA 303 :HTP Number of specific fragments extracted= 2 number of extra gaps= 1 total=21948 # 1x31D.26.26 read from T0532.t2k.many.frag # found chain 1x31D in template set Warning: unaligning (T0532)N27 (1x31D)P28 because P (beta_P) conformation "forbidden" or filtered. T0532 26 :I 1x31D 27 :Y T0532 28 :TDPDATT 1x31D 29 :EDPNALS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21950 # 1gxqA.26.59 read from T0532.t2k.many.frag # found chain 1gxqA in template set Warning: unaligning (T0532)T28 (1gxqA)G185 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1gxqA)Y189 because S (epsilon) conformation "forbidden" or filtered. T0532 26 :IN 1gxqA 183 :VW T0532 29 :DPD 1gxqA 186 :TNV T0532 33 :TT 1gxqA 190 :VE Number of specific fragments extracted= 3 number of extra gaps= 2 total=21953 # 2bvlA.26.11 read from T0532.t2k.many.frag # found chain 2bvlA in template set Warning: unaligning (T0532)D29 (2bvlA)V15 because E (beta_S) conformation "forbidden" or filtered. T0532 26 :INT 2bvlA 12 :MAN T0532 30 :PDATT 2bvlA 16 :RFRTQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=21955 # 1ow4A.26.65 read from T0532.t2k.many.frag # found chain 1ow4A in training set Warning: unaligning (T0532)P30 (1ow4A)G59 because T (delta_L) conformation "forbidden" or filtered. T0532 26 :INTD 1ow4A 55 :ISPE T0532 31 :DATT 1ow4A 60 :AIYT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21957 # 1kwgA.26.40 read from T0532.t2k.many.frag # found chain 1kwgA in training set Warning: unaligning (T0532)D31 (1kwgA)G46 because T (delta_L) conformation "forbidden" or filtered. T0532 26 :INTDP 1kwgA 41 :LEPEP T0532 32 :ATT 1kwgA 47 :RLE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21959 # 2bmaA.26.150 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 26 :INTDPDATT 2bmaA 128 :SDFDPKGKS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21960 # 1lvfA.26.30 read from T0532.t2k.many.frag # found chain 1lvfA in template set Warning: unaligning (T0532)D29 (1lvfA)G34 because S (epsilon) conformation "forbidden" or filtered. T0532 26 :INT 1lvfA 31 :LLQ T0532 30 :PDATT 1lvfA 35 :PSAAT Number of specific fragments extracted= 2 number of extra gaps= 1 total=21962 # 1orjA.26.6 read from T0532.t2k.many.frag # found chain 1orjA in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1orjA)M1012 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1orjA)M1012 T0532 26 :INTD 1orjA 1007 :AYFQ T0532 32 :ATT 1orjA 1013 :VET Number of specific fragments extracted= 2 number of extra gaps= 1 total=21964 # 2a5zA.26.21 read from T0532.t2k.many.frag # found chain 2a5zA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2a5zA)T24 Warning: unaligning (T0532)D31 (2a5zA)G27 because Y (epsilon') conformation "forbidden" or filtered. T0532 29 :DP 2a5zA 25 :TP T0532 32 :ATT 2a5zA 28 :LMS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21966 # 1ps1A.26.81 read from T0532.t2k.many.frag # found chain 1ps1A in template set Warning: unaligning (T0532)D29 (1ps1A)G85 because P (beta_P) conformation "forbidden" or filtered. T0532 26 :INT 1ps1A 82 :LFD T0532 30 :PDATT 1ps1A 86 :PRGEN Number of specific fragments extracted= 2 number of extra gaps= 1 total=21968 # 1ex2A.26.33 read from T0532.t2k.many.frag # found chain 1ex2A in template set T0532 26 :INTDPDATT 1ex2A 34 :EKLNRNFSP Number of specific fragments extracted= 1 number of extra gaps= 0 total=21969 # 1w33A.26.38 read from T0532.t2k.many.frag # found chain 1w33A in template set T0532 26 :INTDPDATT 1w33A 108 :FKVGPYDLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=21970 # 1up8A.26.1 read from T0532.t2k.many.frag # found chain 1up8A in template set Warning: unaligning (T0532)I26 because first residue in template chain is (1up8A)G1 Warning: unaligning (T0532)N27 (1up8A)I2 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1up8A)D5 Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1up8A)D5 Warning: unaligning (T0532)T33 (1up8A)Q8 because Y (epsilon') conformation "forbidden" or filtered. T0532 28 :T 1up8A 3 :P T0532 31 :DA 1up8A 6 :NL T0532 34 :T 1up8A 9 :S Number of specific fragments extracted= 3 number of extra gaps= 2 total=21973 # 1s7mA.26.60 read from T0532.t2k.many.frag # found chain 1s7mA in template set Warning: unaligning (T0532)N27 (1s7mA)N602 because T (delta_L) conformation "forbidden" or filtered. T0532 26 :I 1s7mA 601 :A T0532 28 :TDPDATT 1s7mA 603 :FDPLTSS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21975 # 1wb4A.26.79 read from T0532.t2k.many.frag # found chain 1wb4A in training set T0532 26 :INTDPDATT 1wb4A 868 :ENENTIFSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21976 # 1iomA.26.104 read from T0532.t2k.many.frag # found chain 1iomA in training set Warning: unaligning (T0532)N27 (1iomA)D106 because P (beta_P) conformation "forbidden" or filtered. T0532 26 :I 1iomA 105 :L T0532 28 :TDPDATT 1iomA 107 :PTEGDIS Number of specific fragments extracted= 2 number of extra gaps= 1 total=21978 # 1eyhA.26.13 read from T0532.t2k.many.frag # found chain 1eyhA in training set T0532 26 :INTDPDATT 1eyhA 28 :TSNDPWGPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=21979 1dg9A expands to /projects/compbio/data/pdb/1dg9.pdb.gz 1dg9A:# 1dg9A.26.125 read from T0532.t2k.many.frag # adding 1dg9A to template set # found chain 1dg9A in template set T0532 26 :INTDPDATT 1dg9A 126 :IIEDPYYGN Number of specific fragments extracted= 1 number of extra gaps= 0 total=21980 # 1oohA.26.33 read from T0532.t2k.many.frag # found chain 1oohA in training set Warning: unaligning (T0532)P30 (1oohA)F36 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1oohA)F38 because Y (epsilon') conformation "forbidden" or filtered. T0532 26 :INTD 1oohA 32 :RVGD T0532 31 :D 1oohA 37 :N T0532 33 :TT 1oohA 39 :PP Number of specific fragments extracted= 3 number of extra gaps= 2 total=21983 # 1uj8A.27.53 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 27 :NTDPDATTK 1uj8A 54 :DDDPQASNE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21984 # 1ybdA.27.20 read from T0532.t2k.many.frag # found chain 1ybdA in template set Warning: unaligning (T0532)N27 (1ybdA)G23 because S (epsilon) conformation "forbidden" or filtered. T0532 28 :TDPDATTK 1ybdA 24 :SDPFGINH Number of specific fragments extracted= 1 number of extra gaps= 1 total=21985 # 1kf6D.27.2 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 27 :NTDPDATTK 1kf6D 2 :NPNPKRSDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=21986 # 1yewC.27.115 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1yewC)A121 because D (zeta) conformation "forbidden" or filtered. T0532 27 :NTD 1yewC 116 :DRN T0532 31 :D 1yewC 120 :A T0532 33 :TTK 1yewC 122 :LTP Number of specific fragments extracted= 3 number of extra gaps= 2 total=21989 # 1v74A.27.25 read from T0532.t2k.many.frag # found chain 1v74A in template set Warning: unaligning (T0532)T34 (1v74A)N623 because Y (epsilon') conformation "forbidden" or filtered. T0532 27 :NTDPDAT 1v74A 616 :GISDTKK T0532 35 :K 1v74A 624 :R Number of specific fragments extracted= 2 number of extra gaps= 1 total=21991 # 1xaoA.27.77 read from T0532.t2k.many.frag # found chain 1xaoA in template set Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 27 :NTDP 1xaoA 335 :FPEN T0532 32 :ATTK 1xaoA 340 :FTSE Number of specific fragments extracted= 2 number of extra gaps= 1 total=21993 # 1wdpA.27.23 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 27 :NTD 1wdpA 24 :NVD T0532 31 :D 1wdpA 28 :V T0532 34 :TK 1wdpA 31 :DP Number of specific fragments extracted= 3 number of extra gaps= 2 total=21996 # 1ji7A.27.8 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 27 :NTDPDATTK 1ji7A 23 :RLQPIYWSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=21997 # 2bmaA.27.151 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)A32 (2bmaA)G134 because T (delta_L) conformation "forbidden" or filtered. T0532 27 :NTDPD 2bmaA 129 :DFDPK T0532 33 :TTK 2bmaA 135 :KSD Number of specific fragments extracted= 2 number of extra gaps= 1 total=21999 # 1ofcX.27.136 read from T0532.t2k.many.frag # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1ofcX)E828 because P (beta_P) conformation "forbidden" or filtered. T0532 27 :NTD 1ofcX 824 :AKD T0532 32 :ATTK 1ofcX 829 :GKTP Number of specific fragments extracted= 2 number of extra gaps= 1 total=22001 # 1x31D.27.27 read from T0532.t2k.many.frag # found chain 1x31D in template set T0532 27 :NTDPDATTK 1x31D 28 :PEDPNALSD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22002 # 1gxqA.27.60 read from T0532.t2k.many.frag # found chain 1gxqA in template set Warning: unaligning (T0532)T28 (1gxqA)G185 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1gxqA)Y189 because S (epsilon) conformation "forbidden" or filtered. T0532 27 :N 1gxqA 184 :W T0532 29 :DPD 1gxqA 186 :TNV T0532 33 :TTK 1gxqA 190 :VED Number of specific fragments extracted= 3 number of extra gaps= 2 total=22005 # 1up8A.27.2 read from T0532.t2k.many.frag # found chain 1up8A in template set Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1up8A)D5 Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1up8A)D5 Warning: unaligning (T0532)A32 (1up8A)L7 because P (beta_P) conformation "forbidden" or filtered. T0532 27 :NT 1up8A 2 :IP T0532 31 :D 1up8A 6 :N T0532 33 :TTK 1up8A 8 :QSR Number of specific fragments extracted= 3 number of extra gaps= 2 total=22008 # 1h6gA.27.13 read from T0532.t2k.many.frag # found chain 1h6gA in template set Warning: unaligning (T0532)T28 (1h6gA)S391 because T (delta_L) conformation "forbidden" or filtered. T0532 27 :N 1h6gA 390 :V T0532 29 :DPDATTK 1h6gA 392 :DSFLETN Number of specific fragments extracted= 2 number of extra gaps= 1 total=22010 # 1wvfA.27.296 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)N27 (1wvfA)T298 because Y (epsilon') conformation "forbidden" or filtered. T0532 28 :TDPDATTK 1wvfA 299 :TEPGHTPD Number of specific fragments extracted= 1 number of extra gaps= 1 total=22011 # 1ps1A.27.82 read from T0532.t2k.many.frag # found chain 1ps1A in template set Warning: unaligning (T0532)D29 (1ps1A)G85 because P (beta_P) conformation "forbidden" or filtered. T0532 27 :NT 1ps1A 83 :FD T0532 30 :PDATTK 1ps1A 86 :PRGENP Number of specific fragments extracted= 2 number of extra gaps= 1 total=22013 # 2a5zA.27.22 read from T0532.t2k.many.frag # found chain 2a5zA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2a5zA)T24 Warning: unaligning (T0532)D29 (2a5zA)T25 because E (beta_S) conformation "forbidden" or filtered. T0532 30 :PDATTK 2a5zA 26 :PGLMSP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22014 # 1kwgA.27.41 read from T0532.t2k.many.frag # found chain 1kwgA in training set Warning: unaligning (T0532)D29 (1kwgA)E44 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1kwgA)G46 because T (delta_L) conformation "forbidden" or filtered. T0532 27 :NT 1kwgA 42 :EP T0532 30 :P 1kwgA 45 :P T0532 32 :ATTK 1kwgA 47 :RLEW Number of specific fragments extracted= 3 number of extra gaps= 2 total=22017 # 1ex2A.27.34 read from T0532.t2k.many.frag # found chain 1ex2A in template set T0532 27 :NTDPDATTK 1ex2A 35 :KLNRNFSPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22018 1wuiL expands to /projects/compbio/data/pdb/1wui.pdb.gz 1wuiL:Skipped atom 2952, because occupancy 0.430 <= existing 0.570 in 1wuiL Skipped atom 2954, because occupancy 0.430 <= existing 0.570 in 1wuiL Skipped atom 2956, because occupancy 0.430 <= existing 0.570 in 1wuiL Skipped atom 2958, because occupancy 0.430 <= existing 0.570 in 1wuiL Skipped atom 2960, because occupancy 0.430 <= existing 0.570 in 1wuiL Skipped atom 2962, because occupancy 0.430 <= existing 0.570 in 1wuiL Skipped atom 4136, because occupancy 0.410 <= existing 0.590 in 1wuiL Skipped atom 4138, because occupancy 0.410 <= existing 0.590 in 1wuiL Skipped atom 4140, because occupancy 0.410 <= existing 0.590 in 1wuiL # 1wuiL.27.137 read from T0532.t2k.many.frag # adding 1wuiL to template set # found chain 1wuiL in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE in next template residue (1wuiL)R160 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (1wuiL)R160 T0532 27 :NTD 1wuiL 156 :SIS T0532 32 :ATTK 1wuiL 161 :KTTA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22020 # 1ow4A.27.66 read from T0532.t2k.many.frag # found chain 1ow4A in training set Warning: unaligning (T0532)P30 (1ow4A)G59 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ow4A)I61 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)K35 (1ow4A)G64 because S (epsilon) conformation "forbidden" or filtered. T0532 27 :NTD 1ow4A 56 :SPE T0532 31 :D 1ow4A 60 :A T0532 33 :TT 1ow4A 62 :YT Number of specific fragments extracted= 3 number of extra gaps= 3 total=22023 # 1s7mA.27.61 read from T0532.t2k.many.frag # found chain 1s7mA in template set T0532 27 :NTDPDATTK 1s7mA 602 :NFDPLTSSA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22024 # 1lvfA.27.31 read from T0532.t2k.many.frag # found chain 1lvfA in template set Warning: unaligning (T0532)D29 (1lvfA)G34 because S (epsilon) conformation "forbidden" or filtered. T0532 27 :NT 1lvfA 32 :LQ T0532 30 :PDATTK 1lvfA 35 :PSAATR Number of specific fragments extracted= 2 number of extra gaps= 1 total=22026 # 1oohA.27.34 read from T0532.t2k.many.frag # found chain 1oohA in training set Warning: unaligning (T0532)P30 (1oohA)F36 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1oohA)F38 because Y (epsilon') conformation "forbidden" or filtered. T0532 27 :NTD 1oohA 33 :VGD T0532 31 :D 1oohA 37 :N T0532 33 :TTK 1oohA 39 :PPS Number of specific fragments extracted= 3 number of extra gaps= 2 total=22029 # 1dg9A.27.126 read from T0532.t2k.many.frag # found chain 1dg9A in template set Warning: unaligning (T0532)A32 (1dg9A)Y132 because G (3-10) conformation "forbidden" or filtered. T0532 27 :NTDPD 1dg9A 127 :IEDPY T0532 33 :TTK 1dg9A 133 :GND Number of specific fragments extracted= 2 number of extra gaps= 1 total=22031 # 1u84A.27.18 read from T0532.t2k.many.frag # found chain 1u84A in training set T0532 27 :NTDPDATTK 1u84A 16 :AWDPFGLGK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22032 # 1w33A.27.39 read from T0532.t2k.many.frag # found chain 1w33A in template set T0532 27 :NTDPDATTK 1w33A 109 :KVGPYDLID Number of specific fragments extracted= 1 number of extra gaps= 0 total=22033 1mpxA expands to /projects/compbio/data/pdb/1mpx.pdb.gz 1mpxA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1mpxA.27.112 read from T0532.t2k.many.frag # adding 1mpxA to template set # found chain 1mpxA in template set Warning: unaligning (T0532)D29 (1mpxA)G137 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1mpxA)N140 because D (zeta) conformation "forbidden" or filtered. T0532 27 :NT 1mpxA 135 :LR T0532 30 :PD 1mpxA 138 :PL T0532 33 :TTK 1mpxA 141 :PSE Number of specific fragments extracted= 3 number of extra gaps= 2 total=22036 # 1orjA.27.7 read from T0532.t2k.many.frag # found chain 1orjA in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1orjA)M1012 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1orjA)M1012 T0532 27 :NTD 1orjA 1008 :YFQ T0532 32 :ATTK 1orjA 1013 :VETA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22038 # 1mugA.27.73 read from T0532.t2k.many.frag # found chain 1mugA in training set Warning: unaligning (T0532)N27 (1mugA)T74 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D29 (1mugA)Q76 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1mugA)E79 because G (3-10) conformation "forbidden" or filtered. T0532 28 :T 1mugA 75 :V T0532 30 :PD 1mugA 77 :AN T0532 33 :TTK 1mugA 80 :VSK Number of specific fragments extracted= 3 number of extra gaps= 3 total=22041 # 1uj8A.28.54 read from T0532.t2k.many.frag # found chain 1uj8A in training set Warning: unaligning (T0532)T28 (1uj8A)D55 because Y (epsilon') conformation "forbidden" or filtered. T0532 29 :DPDATTKV 1uj8A 56 :DPQASNEK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22042 # 1ybdA.28.21 read from T0532.t2k.many.frag # found chain 1ybdA in template set Warning: unaligning (T0532)D31 (1ybdA)F27 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ybdA)G28 because S (epsilon) conformation "forbidden" or filtered. T0532 28 :TDP 1ybdA 24 :SDP T0532 33 :TTKV 1ybdA 29 :INHD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22044 # 1wdpA.28.24 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1wdpA)V28 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 28 :TD 1wdpA 25 :VD T0532 34 :TKV 1wdpA 31 :DPD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22046 # 1xaoA.28.78 read from T0532.t2k.many.frag # found chain 1xaoA in template set Warning: unaligning (T0532)D29 (1xaoA)E337 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 28 :T 1xaoA 336 :P T0532 30 :P 1xaoA 338 :N T0532 32 :ATTKV 1xaoA 340 :FTSEE Number of specific fragments extracted= 3 number of extra gaps= 2 total=22049 # 1kf6D.28.3 read from T0532.t2k.many.frag # found chain 1kf6D in template set Warning: unaligning (T0532)D29 (1kf6D)N4 because D (zeta) conformation "forbidden" or filtered. T0532 28 :T 1kf6D 3 :P T0532 30 :PDATTKV 1kf6D 5 :PKRSDEP Number of specific fragments extracted= 2 number of extra gaps= 1 total=22051 # 1v74A.28.26 read from T0532.t2k.many.frag # found chain 1v74A in template set Warning: unaligning (T0532)T28 (1v74A)I617 because D (zeta) conformation "forbidden" or filtered. T0532 29 :DPDATTKV 1v74A 618 :SDTKKNRE Number of specific fragments extracted= 1 number of extra gaps= 1 total=22052 # 1yewC.28.116 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. T0532 28 :TD 1yewC 117 :RN T0532 31 :DATTKV 1yewC 120 :AALTPR Number of specific fragments extracted= 2 number of extra gaps= 1 total=22054 # 1wuiL.28.138 read from T0532.t2k.many.frag # found chain 1wuiL in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE in next template residue (1wuiL)R160 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (1wuiL)R160 T0532 28 :TD 1wuiL 157 :IS T0532 32 :ATTKV 1wuiL 161 :KTTAA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22056 # 2bmaA.28.152 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)A32 (2bmaA)G134 because T (delta_L) conformation "forbidden" or filtered. T0532 28 :TDPD 2bmaA 130 :FDPK T0532 33 :TTKV 2bmaA 135 :KSDN Number of specific fragments extracted= 2 number of extra gaps= 1 total=22058 # 1ji7A.28.9 read from T0532.t2k.many.frag # found chain 1ji7A in training set Warning: unaligning (T0532)A32 (1ji7A)Y28 because G (3-10) conformation "forbidden" or filtered. T0532 28 :TDPD 1ji7A 24 :LQPI T0532 33 :TTKV 1ji7A 29 :WSRD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22060 # 1ofcX.28.137 read from T0532.t2k.many.frag # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ofcX)G829 because T (delta_L) conformation "forbidden" or filtered. T0532 28 :TD 1ofcX 825 :KD T0532 31 :D 1ofcX 828 :E T0532 33 :TTKV 1ofcX 830 :KTPE Number of specific fragments extracted= 3 number of extra gaps= 2 total=22063 # 1up8A.28.3 read from T0532.t2k.many.frag # found chain 1up8A in template set Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1up8A)D5 Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1up8A)D5 T0532 28 :T 1up8A 3 :P T0532 31 :DATTKV 1up8A 6 :NLQSRA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22065 # 1x31D.28.28 read from T0532.t2k.many.frag # found chain 1x31D in template set T0532 28 :TDPDATTKV 1x31D 29 :EDPNALSDK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22066 # 1gxqA.28.61 read from T0532.t2k.many.frag # found chain 1gxqA in template set Warning: unaligning (T0532)A32 (1gxqA)Y189 because S (epsilon) conformation "forbidden" or filtered. T0532 28 :TDPD 1gxqA 185 :GTNV T0532 33 :TTKV 1gxqA 190 :VEDR Number of specific fragments extracted= 2 number of extra gaps= 1 total=22068 # 1oohA.28.35 read from T0532.t2k.many.frag # found chain 1oohA in training set Warning: unaligning (T0532)P30 (1oohA)F36 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1oohA)F38 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K35 (1oohA)S41 because P (beta_P) conformation "forbidden" or filtered. T0532 28 :TD 1oohA 34 :GD T0532 31 :D 1oohA 37 :N T0532 33 :TT 1oohA 39 :PP T0532 36 :V 1oohA 42 :Q Number of specific fragments extracted= 4 number of extra gaps= 3 total=22072 # 1h6gA.28.14 read from T0532.t2k.many.frag # found chain 1h6gA in template set Warning: unaligning (T0532)T28 (1h6gA)S391 because T (delta_L) conformation "forbidden" or filtered. T0532 29 :DPDATTKV 1h6gA 392 :DSFLETNV Number of specific fragments extracted= 1 number of extra gaps= 1 total=22073 1knyA expands to /projects/compbio/data/pdb/1kny.pdb.gz 1knyA:# 1knyA.28.1 read from T0532.t2k.many.frag # adding 1knyA to template set # found chain 1knyA in template set Warning: unaligning (T0532)D29 (1knyA)G3 because S (epsilon) conformation "forbidden" or filtered. T0532 28 :T 1knyA 2 :N T0532 30 :PDATTKV 1knyA 4 :PIIMTRE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22075 # 1dc1A.28.13 read from T0532.t2k.many.frag # found chain 1dc1A in training set Warning: unaligning (T0532)A32 (1dc1A)K18 because P (beta_P) conformation "forbidden" or filtered. T0532 28 :TDPD 1dc1A 14 :VDDL T0532 33 :TTKV 1dc1A 19 :TTYE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22077 # 1u84A.28.19 read from T0532.t2k.many.frag # found chain 1u84A in training set Warning: unaligning (T0532)D29 (1u84A)D18 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1u84A)G21 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)T34 (1u84A)G23 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)V36 (1u84A)D25 because G (3-10) conformation "forbidden" or filtered. T0532 28 :T 1u84A 17 :W T0532 30 :PD 1u84A 19 :PF T0532 33 :T 1u84A 22 :L T0532 35 :K 1u84A 24 :K Number of specific fragments extracted= 4 number of extra gaps= 4 total=22081 # 1ex2A.28.35 read from T0532.t2k.many.frag # found chain 1ex2A in template set T0532 28 :TDPDATTKV 1ex2A 36 :LNRNFSPEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22082 # 1ps1A.28.83 read from T0532.t2k.many.frag # found chain 1ps1A in template set Warning: unaligning (T0532)T34 (1ps1A)N90 because D (zeta) conformation "forbidden" or filtered. T0532 28 :TDPDAT 1ps1A 84 :DGPRGE T0532 35 :KV 1ps1A 91 :PE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22084 # 1mpxA.28.113 read from T0532.t2k.many.frag # found chain 1mpxA in template set Warning: unaligning (T0532)D29 (1mpxA)G137 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1mpxA)N140 because D (zeta) conformation "forbidden" or filtered. T0532 28 :T 1mpxA 136 :R T0532 30 :PD 1mpxA 138 :PL T0532 33 :TTKV 1mpxA 141 :PSEV Number of specific fragments extracted= 3 number of extra gaps= 2 total=22087 # 1s7mA.28.62 read from T0532.t2k.many.frag # found chain 1s7mA in template set T0532 28 :TDPDATTKV 1s7mA 603 :FDPLTSSAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22088 # 1mugA.28.74 read from T0532.t2k.many.frag # found chain 1mugA in training set T0532 28 :TDPDATTKV 1mugA 75 :VQANEVSKQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22089 # 1o26A.28.42 read from T0532.t2k.many.frag # found chain 1o26A in training set Warning: unaligning (T0532)P30 (1o26A)M33 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1o26A)G34 because Y (epsilon') conformation "forbidden" or filtered. T0532 28 :TD 1o26A 31 :FD T0532 32 :ATTKV 1o26A 35 :LKDEE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22091 # 1kwgA.28.42 read from T0532.t2k.many.frag # found chain 1kwgA in training set T0532 28 :TDPDATTKV 1kwgA 43 :PEPGRLEWG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22092 1f5qB expands to /projects/compbio/data/pdb/1f5q.pdb.gz 1f5qB:Skipped atom 2781, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2783, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2785, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2787, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2789, because occupancy 0.500 <= existing 0.500 in 1f5qB Skipped atom 2791, because occupancy 0.500 <= existing 0.500 in 1f5qB # 1f5qB.28.9 read from T0532.t2k.many.frag # adding 1f5qB to template set # found chain 1f5qB in template set Warning: unaligning (T0532)D29 (1f5qB)D11 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1f5qB)S12 because G (3-10) conformation "forbidden" or filtered. T0532 28 :T 1f5qB 10 :L T0532 31 :DATTKV 1f5qB 13 :SLLNEE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22094 # 2a5zA.28.23 read from T0532.t2k.many.frag # found chain 2a5zA in template set Warning: unaligning (T0532)T28 because first residue in template chain is (2a5zA)T24 T0532 29 :DPDATTKV 2a5zA 25 :TPGLMSPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22095 # 1dg9A.28.127 read from T0532.t2k.many.frag # found chain 1dg9A in template set T0532 28 :TDPDATTKV 1dg9A 128 :EDPYYGNDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22096 # 1wvfA.28.297 read from T0532.t2k.many.frag # found chain 1wvfA in training set Warning: unaligning (T0532)D31 (1wvfA)G302 because S (epsilon) conformation "forbidden" or filtered. T0532 28 :TDP 1wvfA 299 :TEP T0532 32 :ATTKV 1wvfA 303 :HTPDS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22098 # 1wdpA.29.25 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 29 :D 1wdpA 26 :D T0532 31 :D 1wdpA 28 :V T0532 34 :TKVT 1wdpA 31 :DPDG Number of specific fragments extracted= 3 number of extra gaps= 2 total=22101 # 1uj8A.29.55 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 29 :DPDATTKVT 1uj8A 56 :DPQASNEKI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22102 # 1ybdA.29.22 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 29 :DPDATTKVT 1ybdA 25 :DPFGINHDT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22103 # 1wuiL.29.139 read from T0532.t2k.many.frag # found chain 1wuiL in template set Warning: unaligning (T0532)D29 (1wuiL)S158 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE in next template residue (1wuiL)R160 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (1wuiL)R160 T0532 32 :ATTKVT 1wuiL 161 :KTTAAD Number of specific fragments extracted= 1 number of extra gaps= 1 total=22104 # 1xaoA.29.79 read from T0532.t2k.many.frag # found chain 1xaoA in template set Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 29 :DP 1xaoA 337 :EN T0532 32 :ATTKVT 1xaoA 340 :FTSEEN Number of specific fragments extracted= 2 number of extra gaps= 1 total=22106 # 2bmaA.29.153 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)A32 (2bmaA)G134 because T (delta_L) conformation "forbidden" or filtered. T0532 29 :DPD 2bmaA 131 :DPK T0532 33 :TTKVT 2bmaA 135 :KSDNE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22108 # 1ji7A.29.10 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 29 :DPDATTKVT 1ji7A 25 :QPIYWSRDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22109 # 1kf6D.29.4 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 29 :DPDATTKVT 1kf6D 4 :NPKRSDEPV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22110 # 1v74A.29.27 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 29 :DPDATTKVT 1v74A 618 :SDTKKNRET Number of specific fragments extracted= 1 number of extra gaps= 0 total=22111 # 1f5qB.29.10 read from T0532.t2k.many.frag # found chain 1f5qB in template set Warning: unaligning (T0532)P30 (1f5qB)S12 because G (3-10) conformation "forbidden" or filtered. T0532 29 :D 1f5qB 11 :D T0532 31 :DATTKVT 1f5qB 13 :SLLNEED Number of specific fragments extracted= 2 number of extra gaps= 1 total=22113 # 1yewC.29.117 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. T0532 29 :D 1yewC 118 :N T0532 31 :DATTKVT 1yewC 120 :AALTPRE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22115 # 1knyA.29.2 read from T0532.t2k.many.frag # found chain 1knyA in template set Warning: unaligning (T0532)D29 (1knyA)G3 because S (epsilon) conformation "forbidden" or filtered. T0532 30 :PDATTKVT 1knyA 4 :PIIMTREE Number of specific fragments extracted= 1 number of extra gaps= 1 total=22116 # 1i6lA.29.44 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 29 :DPDATTKVT 1i6lA 45 :ITVWQDPHE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22117 # 1oohA.29.36 read from T0532.t2k.many.frag # found chain 1oohA in training set Warning: unaligning (T0532)P30 (1oohA)F36 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1oohA)F38 because Y (epsilon') conformation "forbidden" or filtered. T0532 29 :D 1oohA 35 :D T0532 31 :D 1oohA 37 :N T0532 33 :TTKVT 1oohA 39 :PPSQD Number of specific fragments extracted= 3 number of extra gaps= 2 total=22120 # 1h6gA.29.15 read from T0532.t2k.many.frag # found chain 1h6gA in template set T0532 29 :DPDATTKVT 1h6gA 392 :DSFLETNVP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22121 # 1up8A.29.4 read from T0532.t2k.many.frag # found chain 1up8A in template set Warning: unaligning (T0532)D29 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1up8A)D5 Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1up8A)D5 T0532 31 :DATTKVT 1up8A 6 :NLQSRAK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22122 # 1dc1A.29.14 read from T0532.t2k.many.frag # found chain 1dc1A in training set T0532 29 :DPDATTKVT 1dc1A 15 :DDLKTTYEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22123 # 1ofcX.29.138 read from T0532.t2k.many.frag # found chain 1ofcX in template set Warning: unaligning (T0532)P30 (1ofcX)V827 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ofcX)G829 because T (delta_L) conformation "forbidden" or filtered. T0532 29 :D 1ofcX 826 :D T0532 31 :D 1ofcX 828 :E T0532 33 :TTKVT 1ofcX 830 :KTPEE Number of specific fragments extracted= 3 number of extra gaps= 2 total=22126 # 1mugA.29.75 read from T0532.t2k.many.frag # found chain 1mugA in training set T0532 29 :DPDATTKVT 1mugA 76 :QANEVSKQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22127 # 1qv9A.29.39 read from T0532.t2k.many.frag # found chain 1qv9A in training set Warning: unaligning (T0532)A32 (1qv9A)K43 because P (beta_P) conformation "forbidden" or filtered. T0532 29 :DPD 1qv9A 40 :TSV T0532 33 :TTKVT 1qv9A 44 :MDPEC Number of specific fragments extracted= 2 number of extra gaps= 1 total=22129 # 1o26A.29.43 read from T0532.t2k.many.frag # found chain 1o26A in training set Warning: unaligning (T0532)P30 (1o26A)M33 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1o26A)G34 because Y (epsilon') conformation "forbidden" or filtered. T0532 29 :D 1o26A 32 :D T0532 32 :ATTKVT 1o26A 35 :LKDEER Number of specific fragments extracted= 2 number of extra gaps= 1 total=22131 # 1pinA.29.75 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)P30 (1pinA)K77 because E (beta_S) conformation "forbidden" or filtered. T0532 29 :D 1pinA 76 :E T0532 31 :DATTKVT 1pinA 78 :ITRTKEE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22133 # 1vin.29.111 read from T0532.t2k.many.frag # found chain 1vin in template set Warning: unaligning (T0532)P30 (1vin)D283 because L (left) conformation "forbidden" or filtered. T0532 29 :D 1vin 282 :T T0532 31 :DATTKVT 1vin 284 :DTYTKKQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22135 # 1gxqA.29.62 read from T0532.t2k.many.frag # found chain 1gxqA in template set T0532 29 :DPDATTKVT 1gxqA 186 :TNVYVEDRT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22136 # 1yvrA.29.43 read from T0532.t2k.many.frag # found chain 1yvrA in template set Warning: unaligning (T0532)D29 (1yvrA)G44 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)P30 (1yvrA)T45 because E (beta_S) conformation "forbidden" or filtered. T0532 31 :DATTKVT 1yvrA 46 :YYIEEKK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22137 # 1muwA.29.57 read from T0532.t2k.many.frag # found chain 1muwA in training set T0532 29 :DPDATTKVT 1muwA 58 :IPFGSSDTE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22138 # 2bvlA.29.14 read from T0532.t2k.many.frag # found chain 2bvlA in template set Warning: unaligning (T0532)D31 (2bvlA)F17 because T (delta_L) conformation "forbidden" or filtered. T0532 29 :DP 2bvlA 15 :VR T0532 32 :ATTKVT 2bvlA 18 :RTQEDE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22140 # 1ex2A.29.36 read from T0532.t2k.many.frag # found chain 1ex2A in template set T0532 29 :DPDATTKVT 1ex2A 37 :NRNFSPEEN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22141 # 1kwgA.29.43 read from T0532.t2k.many.frag # found chain 1kwgA in training set Warning: unaligning (T0532)D31 (1kwgA)G46 because T (delta_L) conformation "forbidden" or filtered. T0532 29 :DP 1kwgA 44 :EP T0532 32 :ATTKVT 1kwgA 47 :RLEWGW Number of specific fragments extracted= 2 number of extra gaps= 1 total=22143 1u00A expands to /projects/compbio/data/pdb/1u00.pdb.gz 1u00A:# 1u00A.29.111 read from T0532.t2k.many.frag # adding 1u00A to template set # found chain 1u00A in template set Warning: unaligning (T0532)P30 (1u00A)S501 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1u00A)Y502 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE in next template residue (1u00A)L504 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE at template residue (1u00A)L504 T0532 29 :D 1u00A 500 :P T0532 34 :TKVT 1u00A 505 :TDSE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22145 # 1wdpA.30.26 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)P30 (1wdpA)N27 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D31 (1wdpA)V28 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 34 :TKVTS 1wdpA 31 :DPDGL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22146 # 1ybdA.30.23 read from T0532.t2k.many.frag # found chain 1ybdA in template set Warning: unaligning (T0532)D31 (1ybdA)F27 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ybdA)G28 because S (epsilon) conformation "forbidden" or filtered. T0532 30 :P 1ybdA 26 :P T0532 33 :TTKVTS 1ybdA 29 :INHDTI Number of specific fragments extracted= 2 number of extra gaps= 1 total=22148 # 1ji7A.30.11 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 30 :PDATTKVTS 1ji7A 26 :PIYWSRDDV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22149 # 1wuiL.30.140 read from T0532.t2k.many.frag # found chain 1wuiL in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE in next template residue (1wuiL)R160 Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (1wuiL)R160 T0532 32 :ATTKVTS 1wuiL 161 :KTTAADL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22150 # 2bmaA.30.154 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 30 :PDATTKVTS 2bmaA 132 :PKGKSDNEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22151 # 1f5qB.30.11 read from T0532.t2k.many.frag # found chain 1f5qB in template set Warning: unaligning (T0532)P30 (1f5qB)S12 because G (3-10) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1f5qB 13 :SLLNEEDC Number of specific fragments extracted= 1 number of extra gaps= 1 total=22152 # 1uj8A.30.56 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 30 :PDATTKVTS 1uj8A 57 :PQASNEKIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22153 # 1v74A.30.28 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 30 :PDATTKVTS 1v74A 619 :DTKKNRETL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22154 # 1xaoA.30.80 read from T0532.t2k.many.frag # found chain 1xaoA in template set Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 30 :P 1xaoA 338 :N T0532 32 :ATTKVTS 1xaoA 340 :FTSEENL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22156 # 1qv9A.30.40 read from T0532.t2k.many.frag # found chain 1qv9A in training set Warning: unaligning (T0532)P30 (1qv9A)S41 because S (epsilon) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1qv9A 42 :VKMDPECV Number of specific fragments extracted= 1 number of extra gaps= 1 total=22157 # 1i6lA.30.45 read from T0532.t2k.many.frag # found chain 1i6lA in training set Warning: unaligning (T0532)D31 (1i6lA)V47 because E (beta_S) conformation "forbidden" or filtered. T0532 30 :P 1i6lA 46 :T T0532 32 :ATTKVTS 1i6lA 48 :WQDPHEL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22159 # 1kf6D.30.5 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 30 :PDATTKVTS 1kf6D 5 :PKRSDEPVF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22160 # 1knyA.30.3 read from T0532.t2k.many.frag # found chain 1knyA in template set T0532 30 :PDATTKVTS 1knyA 4 :PIIMTREER Number of specific fragments extracted= 1 number of extra gaps= 0 total=22161 # 1dc1A.30.15 read from T0532.t2k.many.frag # found chain 1dc1A in training set T0532 30 :PDATTKVTS 1dc1A 16 :DLKTTYEEY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22162 # 1pinA.30.76 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)P30 (1pinA)K77 because E (beta_S) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1pinA 78 :ITRTKEEA Number of specific fragments extracted= 1 number of extra gaps= 1 total=22163 # 2bvlA.30.15 read from T0532.t2k.many.frag # found chain 2bvlA in template set T0532 30 :PDATTKVTS 2bvlA 16 :RFRTQEDEY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22164 # 1yvrA.30.44 read from T0532.t2k.many.frag # found chain 1yvrA in template set Warning: unaligning (T0532)P30 (1yvrA)T45 because E (beta_S) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1yvrA 46 :YYIEEKKL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22165 # 1oohA.30.37 read from T0532.t2k.many.frag # found chain 1oohA in training set Warning: unaligning (T0532)P30 (1oohA)F36 because G (3-10) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1oohA 37 :NFPPSQDL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22166 # 1yewC.30.118 read from T0532.t2k.many.frag # found chain 1yewC in template set Warning: unaligning (T0532)P30 (1yewC)L119 because G (3-10) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1yewC 120 :AALTPREE Number of specific fragments extracted= 1 number of extra gaps= 1 total=22167 # 1mugA.30.76 read from T0532.t2k.many.frag # found chain 1mugA in training set T0532 30 :PDATTKVTS 1mugA 77 :ANEVSKQEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22168 2fckA expands to /projects/compbio/data/pdb/2fck.pdb.gz 2fckA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 189, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 191, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 193, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 195, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 197, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 199, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 201, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 203, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 205, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 231, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 233, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 235, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 237, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 239, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 241, because occupancy 0.500 <= existing 0.500 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 666, because occupancy 0.300 <= existing 0.700 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 668, because occupancy 0.300 <= existing 0.700 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 670, because occupancy 0.300 <= existing 0.700 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 672, because occupancy 0.300 <= existing 0.700 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 674, because occupancy 0.300 <= existing 0.700 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 676, because occupancy 0.300 <= existing 0.700 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 678, because occupancy 0.300 <= existing 0.700 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 680, because occupancy 0.300 <= existing 0.700 in 2fckA Skipped atom 710, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 712, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 714, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 716, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 718, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 720, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 722, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 724, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 726, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 739, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 741, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 743, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 745, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 749, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 755, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 757, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 759, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 761, because occupancy 0.500 <= existing 0.500 in 2fckA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1043, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1045, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1047, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1049, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1051, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1053, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1055, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1057, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1059, because occupancy 0.400 <= existing 0.600 in 2fckA Skipped atom 1199, because occupancy 0.300 <= existing 0.700 in 2fckA Skipped atom 1201, because occupancy 0.300 <= existing 0.700 in 2fckA Skipped atom 1203, because occupancy 0.300 <= existing 0.700 in 2fckA Skipped atom 1205, because occupancy 0.300 <= existing 0.700 in 2fckA Skipped atom 1207, because occupancy 0.300 <= existing 0.700 in 2fckA Skipped atom 1209, because occupancy 0.300 <= existing 0.700 in 2fckA Skipped atom 1291, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1293, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1295, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1297, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1299, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1301, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1303, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1305, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1307, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1309, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1311, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1313, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1315, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1317, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1319, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1321, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1323, because occupancy 0.500 <= existing 0.500 in 2fckA Skipped atom 1325, because occupancy 0.500 <= existing 0.500 in 2fckA # 2fckA.30.45 read from T0532.t2k.many.frag # adding 2fckA to template set # found chain 2fckA in template set Warning: unaligning (T0532)T33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2fckA)F46 T0532 34 :TKVTS 2fckA 47 :SQQEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22169 # 1vin.30.112 read from T0532.t2k.many.frag # found chain 1vin in template set Warning: unaligning (T0532)P30 (1vin)D283 because L (left) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1vin 284 :DTYTKKQV Number of specific fragments extracted= 1 number of extra gaps= 1 total=22170 1b25A expands to /projects/compbio/data/pdb/1b25.pdb.gz 1b25A:# 1b25A.30.206 read from T0532.t2k.many.frag # adding 1b25A to template set # found chain 1b25A in template set T0532 30 :PDATTKVTS 1b25A 207 :IPVADKEEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22171 # 1muwA.30.58 read from T0532.t2k.many.frag # found chain 1muwA in training set Warning: unaligning (T0532)A32 (1muwA)G61 because T (delta_L) conformation "forbidden" or filtered. T0532 30 :PD 1muwA 59 :PF T0532 33 :TTKVTS 1muwA 62 :SSDTER Number of specific fragments extracted= 2 number of extra gaps= 1 total=22173 2aalA expands to /projects/compbio/data/pdb/2aal.pdb.gz 2aalA:Bad short name: C1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O6 for alphabet: pdb_atoms Bad short name: O8 for alphabet: pdb_atoms Bad short name: O9 for alphabet: pdb_atoms Skipped atom 105, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 107, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 109, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 111, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 113, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 115, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 117, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 158, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 160, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 162, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 164, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 166, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 168, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 540, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 542, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 544, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 546, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 548, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 550, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 552, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 927, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 929, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 931, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 933, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 935, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 937, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 939, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 941, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 943, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 945, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 947, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 953, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 955, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 959, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 961, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 963, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 965, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 967, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 969, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 971, because occupancy 0.500 <= existing 0.500 in 2aalA Skipped atom 973, because occupancy 0.500 <= existing 0.500 in 2aalA # 2aalA.30.8 read from T0532.t2k.many.frag # adding 2aalA to template set # found chain 2aalA in template set T0532 30 :PDATTKVTS 2aalA 8 :FYGRTDAQI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22174 # 1up8A.30.5 read from T0532.t2k.many.frag # found chain 1up8A in template set Warning: unaligning (T0532)P30 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1up8A)D5 T0532 31 :DATTKVTS 1up8A 6 :NLQSRAKA Number of specific fragments extracted= 1 number of extra gaps= 1 total=22175 1hekA expands to /projects/compbio/data/pdb/1hek.pdb.gz 1hekA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1hekA.30.28 read from T0532.t2k.many.frag # adding 1hekA to template set # found chain 1hekA in template set Warning: unaligning (T0532)P30 (1hekA)S22 because D (zeta) conformation "forbidden" or filtered. T0532 31 :DATTKVTS 1hekA 23 :QKLTTGNC Number of specific fragments extracted= 1 number of extra gaps= 1 total=22176 1kxu expands to /projects/compbio/data/pdb/1kxu.pdb.gz 1kxu:Warning: there is no chain 1kxu will retry with 1kxuA # 1kxu.30.20 read from T0532.t2k.many.frag # adding 1kxu to template set # found chain 1kxu in template set Warning: unaligning (T0532)P30 because first residue in template chain is (1kxu)W11 Warning: unaligning (T0532)T34 (1kxu)S15 because Y (epsilon') conformation "forbidden" or filtered. T0532 31 :DAT 1kxu 12 :TFS T0532 35 :KVTS 1kxu 16 :EEQL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22178 2b4vA expands to /projects/compbio/data/pdb/2b4v.pdb.gz 2b4vA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 426, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 430, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 432, because occupancy 0.500 <= existing 0.500 in 2b4vA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 530, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 534, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 536, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 538, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 540, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 551, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 555, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 557, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 559, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 561, because occupancy 0.500 <= existing 0.500 in 2b4vA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1204, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1208, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1210, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1212, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1214, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1252, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1256, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1258, because occupancy 0.500 <= existing 0.500 in 2b4vA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1908, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1912, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1914, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1916, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 1918, because occupancy 0.500 <= existing 0.500 in 2b4vA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2591, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 2595, because occupancy 0.500 <= existing 0.500 in 2b4vA Skipped atom 2597, because occupancy 0.500 <= existing 0.500 in 2b4vA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2b4vA.30.8 read from T0532.t2k.many.frag # adding 2b4vA to template set # found chain 2b4vA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (2b4vA)N30 T0532 33 :TTKVTS 2b4vA 31 :PSPDHY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22179 # 1gxqA.30.63 read from T0532.t2k.many.frag # found chain 1gxqA in template set Warning: unaligning (T0532)A32 (1gxqA)Y189 because S (epsilon) conformation "forbidden" or filtered. T0532 30 :PD 1gxqA 187 :NV T0532 33 :TTKVTS 1gxqA 190 :VEDRTV Number of specific fragments extracted= 2 number of extra gaps= 1 total=22181 # 1ybdA.31.24 read from T0532.t2k.many.frag # found chain 1ybdA in template set Warning: unaligning (T0532)D31 (1ybdA)F27 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A32 (1ybdA)G28 because S (epsilon) conformation "forbidden" or filtered. T0532 33 :TTKVTSS 1ybdA 29 :INHDTIV Number of specific fragments extracted= 1 number of extra gaps= 1 total=22182 # 1f5qB.31.12 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 31 :DATTKVTSS 1f5qB 13 :SLLNEEDCR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22183 # 1wdpA.31.27 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 31 :D 1wdpA 28 :V T0532 34 :TKVTSS 1wdpA 31 :DPDGLK Number of specific fragments extracted= 2 number of extra gaps= 1 total=22185 # 1v74A.31.29 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 31 :DATTKVTSS 1v74A 620 :TKKNRETLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22186 # 1wuiL.31.141 read from T0532.t2k.many.frag # found chain 1wuiL in template set Warning: unaligning (T0532)D31 because of BadResidue code BAD_PEPTIDE at template residue (1wuiL)R160 T0532 32 :ATTKVTSS 1wuiL 161 :KTTAADLK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22187 # 1ji7A.31.12 read from T0532.t2k.many.frag # found chain 1ji7A in training set Warning: unaligning (T0532)A32 (1ji7A)Y28 because G (3-10) conformation "forbidden" or filtered. T0532 31 :D 1ji7A 27 :I T0532 33 :TTKVTSS 1ji7A 29 :WSRDDVA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22189 # 2bmaA.31.155 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)A32 (2bmaA)G134 because T (delta_L) conformation "forbidden" or filtered. T0532 31 :D 2bmaA 133 :K T0532 33 :TTKVTSS 2bmaA 135 :KSDNEIL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22191 # 1dc1A.31.16 read from T0532.t2k.many.frag # found chain 1dc1A in training set T0532 31 :DATTKVTSS 1dc1A 17 :LKTTYEEYR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22192 # 1qv9A.31.41 read from T0532.t2k.many.frag # found chain 1qv9A in training set Warning: unaligning (T0532)A32 (1qv9A)K43 because P (beta_P) conformation "forbidden" or filtered. T0532 31 :D 1qv9A 42 :V T0532 33 :TTKVTSS 1qv9A 44 :MDPECVE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22194 # 1pinA.31.77 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)D31 (1pinA)I78 because P (beta_P) conformation "forbidden" or filtered. T0532 32 :ATTKVTSS 1pinA 79 :TRTKEEAL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22195 # 1xaoA.31.81 read from T0532.t2k.many.frag # found chain 1xaoA in template set Warning: unaligning (T0532)D31 (1xaoA)H339 because L (left) conformation "forbidden" or filtered. T0532 32 :ATTKVTSS 1xaoA 340 :FTSEENLK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22196 # 1uj8A.31.57 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 31 :DATTKVTSS 1uj8A 58 :QASNEKILE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22197 # 1knyA.31.4 read from T0532.t2k.many.frag # found chain 1knyA in template set T0532 31 :DATTKVTSS 1knyA 5 :IIMTREERM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22198 # 1b25A.31.207 read from T0532.t2k.many.frag # found chain 1b25A in template set Warning: unaligning (T0532)D31 (1b25A)P208 because P (beta_P) conformation "forbidden" or filtered. T0532 32 :ATTKVTSS 1b25A 209 :VADKEELK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22199 # 1kxu.31.21 read from T0532.t2k.many.frag # found chain 1kxu in template set Warning: unaligning (T0532)T34 (1kxu)S15 because Y (epsilon') conformation "forbidden" or filtered. T0532 31 :DAT 1kxu 12 :TFS T0532 35 :KVTSS 1kxu 16 :EEQLA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22201 # 1i6lA.31.46 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 31 :DATTKVTSS 1i6lA 47 :VWQDPHELR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22202 # 2aalA.31.9 read from T0532.t2k.many.frag # found chain 2aalA in template set Warning: unaligning (T0532)A32 (2aalA)G10 because T (delta_L) conformation "forbidden" or filtered. T0532 31 :D 2aalA 9 :Y T0532 33 :TTKVTSS 2aalA 11 :RTDAQIK Number of specific fragments extracted= 2 number of extra gaps= 1 total=22204 # 2bvlA.31.16 read from T0532.t2k.many.frag # found chain 2bvlA in template set Warning: unaligning (T0532)D31 (2bvlA)F17 because T (delta_L) conformation "forbidden" or filtered. T0532 32 :ATTKVTSS 2bvlA 18 :RTQEDEYV Number of specific fragments extracted= 1 number of extra gaps= 1 total=22205 # 2fckA.31.46 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)T33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2fckA)F46 T0532 34 :TKVTSS 2fckA 47 :SQQEAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22206 1z53A expands to /projects/compbio/data/pdb/1z53.pdb.gz 1z53A:Skipped atom 604, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 606, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 608, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 610, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 612, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 614, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 616, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 618, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 620, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 622, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 624, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 626, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 628, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 630, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 632, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 634, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 636, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 638, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 640, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 642, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 644, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 646, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 648, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 650, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 652, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 654, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 656, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 658, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 999, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1001, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1003, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1005, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1007, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1208, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1210, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1212, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1214, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1216, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1362, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1364, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1366, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1368, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1370, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1372, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1374, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1416, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1417, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1419, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1420, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1422, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1423, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1425, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1426, because occupancy 0.300 <= existing 0.300 in 1z53A Skipped atom 1580, because occupancy 0.400 <= existing 0.400 in 1z53A Skipped atom 1912, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1914, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 1916, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 2077, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 2079, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 2081, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 2083, because occupancy 0.500 <= existing 0.500 in 1z53A Skipped atom 2085, because occupancy 0.500 <= existing 0.500 in 1z53A # 1z53A.31.11 read from T0532.t2k.many.frag # adding 1z53A to template set # found chain 1z53A in template set T0532 31 :DATTKVTSS 1z53A 12 :KGRSYEDFQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22207 # 1oohA.31.38 read from T0532.t2k.many.frag # found chain 1oohA in training set Warning: unaligning (T0532)D31 (1oohA)N37 because N (gamma') conformation "forbidden" or filtered. T0532 32 :ATTKVTSS 1oohA 38 :FPPSQDLM Number of specific fragments extracted= 1 number of extra gaps= 1 total=22208 # 1mugA.31.77 read from T0532.t2k.many.frag # found chain 1mugA in training set Warning: unaligning (T0532)A32 (1mugA)E79 because G (3-10) conformation "forbidden" or filtered. T0532 31 :D 1mugA 78 :N T0532 33 :TTKVTSS 1mugA 80 :VSKQELH Number of specific fragments extracted= 2 number of extra gaps= 1 total=22210 # 1i1wA.31.58 read from T0532.t2k.many.frag # found chain 1i1wA in training set T0532 31 :DATTKVTSS 1i1wA 59 :GNFNFAGAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22211 # 1yvrA.31.45 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 31 :DATTKVTSS 1yvrA 46 :YYIEEKKLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22212 # 1kf6D.31.6 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 31 :DATTKVTSS 1kf6D 6 :KRSDEPVFW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22213 # 4ubpA.31.28 read from T0532.t2k.many.frag # found chain 4ubpA in training set T0532 31 :DATTKVTSS 4ubpA 28 :LKLNYPEAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22214 # 2b4vA.31.9 read from T0532.t2k.many.frag # found chain 2b4vA in template set Warning: unaligning (T0532)A32 because first residue in template chain is (2b4vA)N30 T0532 33 :TTKVTSS 2b4vA 31 :PSPDHYA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22215 # 1vin.31.113 read from T0532.t2k.many.frag # found chain 1vin in template set T0532 31 :DATTKVTSS 1vin 284 :DTYTKKQVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22216 # 1lucA.31.12 read from T0532.t2k.many.frag # found chain 1lucA in training set Warning: unaligning (T0532)A32 (1lucA)E14 because G (3-10) conformation "forbidden" or filtered. T0532 31 :D 1lucA 13 :P T0532 33 :TTKVTSS 1lucA 15 :LSQTEVM Number of specific fragments extracted= 2 number of extra gaps= 1 total=22218 # 1hekA.31.29 read from T0532.t2k.many.frag # found chain 1hekA in template set T0532 31 :DATTKVTSS 1hekA 23 :QKLTTGNCN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22219 # 1f5qB.32.13 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 32 :ATTKVTSSL 1f5qB 14 :LLNEEDCRQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22220 # 1v74A.32.30 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 32 :ATTKVTSSL 1v74A 621 :KKNRETLTK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22221 # 1ybdA.32.25 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 32 :ATTKVTSSL 1ybdA 28 :GINHDTIVQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22222 # 1ji7A.32.13 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 32 :ATTKVTSSL 1ji7A 28 :YWSRDDVAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22223 # 1b25A.32.208 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 32 :ATTKVTSSL 1b25A 209 :VADKEELKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22224 # 1wdpA.32.28 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)A32 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1wdpA)E30 Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 34 :TKVTSSL 1wdpA 31 :DPDGLKE Number of specific fragments extracted= 1 number of extra gaps= 1 total=22225 # 1wuiL.32.142 read from T0532.t2k.many.frag # found chain 1wuiL in template set T0532 32 :ATTKVTSSL 1wuiL 161 :KTTAADLKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22226 # 1z53A.32.12 read from T0532.t2k.many.frag # found chain 1z53A in template set Warning: unaligning (T0532)A32 (1z53A)G13 because T (delta_L) conformation "forbidden" or filtered. T0532 33 :TTKVTSSL 1z53A 14 :RSYEDFQK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22227 # 1pinA.32.78 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 32 :ATTKVTSSL 1pinA 79 :TRTKEEALE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22228 # 1kxu.32.22 read from T0532.t2k.many.frag # found chain 1kxu in template set T0532 32 :ATTKVTSSL 1kxu 13 :FSSEEQLAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22229 # 1dc1A.32.17 read from T0532.t2k.many.frag # found chain 1dc1A in training set T0532 32 :ATTKVTSSL 1dc1A 18 :KTTYEEYRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22230 # 2bmaA.32.156 read from T0532.t2k.many.frag # found chain 2bmaA in template set Warning: unaligning (T0532)A32 (2bmaA)G134 because T (delta_L) conformation "forbidden" or filtered. T0532 33 :TTKVTSSL 2bmaA 135 :KSDNEILK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22231 # 1qv9A.32.42 read from T0532.t2k.many.frag # found chain 1qv9A in training set T0532 32 :ATTKVTSSL 1qv9A 43 :KMDPECVEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22232 # 1i6lA.32.47 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 32 :ATTKVTSSL 1i6lA 48 :WQDPHELRQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22233 # 1xaoA.32.82 read from T0532.t2k.many.frag # found chain 1xaoA in template set T0532 32 :ATTKVTSSL 1xaoA 340 :FTSEENLKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22234 # 2fckA.32.47 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)T33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2fckA)F46 T0532 34 :TKVTSSL 2fckA 47 :SQQEAEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22235 1jk0B expands to /projects/compbio/data/pdb/1jk0.pdb.gz 1jk0B:# 1jk0B.32.72 read from T0532.t2k.many.frag # adding 1jk0B to template set # found chain 1jk0B in template set Warning: unaligning (T0532)A32 (1jk0B)K73 because G (3-10) conformation "forbidden" or filtered. T0532 33 :TTKVTSSL 1jk0B 74 :LTDDQKTY Number of specific fragments extracted= 1 number of extra gaps= 1 total=22236 # 2aalA.32.10 read from T0532.t2k.many.frag # found chain 2aalA in template set Warning: unaligning (T0532)A32 (2aalA)G10 because T (delta_L) conformation "forbidden" or filtered. T0532 33 :TTKVTSSL 2aalA 11 :RTDAQIKS Number of specific fragments extracted= 1 number of extra gaps= 1 total=22237 # 1i1wA.32.59 read from T0532.t2k.many.frag # found chain 1i1wA in training set T0532 32 :ATTKVTSSL 1i1wA 60 :NFNFAGADY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22238 # 1uj8A.32.58 read from T0532.t2k.many.frag # found chain 1uj8A in training set T0532 32 :ATTKVTSSL 1uj8A 59 :ASNEKILEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22239 # 1fpoA.32.13 read from T0532.t2k.many.frag # found chain 1fpoA in training set T0532 32 :ATTKVTSSL 1fpoA 14 :QLDTQALSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22240 2fbqA expands to /projects/compbio/data/pdb/2fbq.pdb.gz 2fbqA:Skipped atom 307, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 309, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 311, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 313, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 315, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 317, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 319, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 321, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 587, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 589, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 591, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 593, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 597, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 599, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1024, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1026, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1028, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1030, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1032, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1034, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1036, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1038, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1040, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1042, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1044, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1046, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1048, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1050, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1052, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1054, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1056, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1058, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1083, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1085, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1087, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1089, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1091, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1093, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1095, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1097, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1099, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1153, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1155, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1157, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1159, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1161, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1163, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1165, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1167, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1446, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1448, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1450, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1452, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1454, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1456, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1458, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1460, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1462, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1464, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1466, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1560, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1562, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1564, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1566, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1568, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1570, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1572, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1574, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1576, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1602, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1604, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1606, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1608, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1610, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1612, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1614, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1616, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1618, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1620, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1712, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1714, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1716, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1718, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1720, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1722, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1724, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1726, because occupancy 0.500 <= existing 0.500 in 2fbqA Skipped atom 1728, because occupancy 0.500 <= existing 0.500 in 2fbqA # 2fbqA.32.84 read from T0532.t2k.many.frag # adding 2fbqA to template set # found chain 2fbqA in template set Warning: unaligning (T0532)A32 (2fbqA)H83 because P (beta_P) conformation "forbidden" or filtered. T0532 33 :TTKVTSSL 2fbqA 84 :ATLEDLLH Number of specific fragments extracted= 1 number of extra gaps= 1 total=22241 # 1oohA.32.39 read from T0532.t2k.many.frag # found chain 1oohA in training set Warning: unaligning (T0532)A32 (1oohA)F38 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K35 (1oohA)S41 because P (beta_P) conformation "forbidden" or filtered. T0532 33 :TT 1oohA 39 :PP T0532 36 :VTSSL 1oohA 42 :QDLMC Number of specific fragments extracted= 2 number of extra gaps= 2 total=22243 # 1mpxA.32.117 read from T0532.t2k.many.frag # found chain 1mpxA in template set Warning: unaligning (T0532)A32 (1mpxA)N140 because D (zeta) conformation "forbidden" or filtered. T0532 33 :TTKVTSSL 1mpxA 141 :PSEVDHAT Number of specific fragments extracted= 1 number of extra gaps= 1 total=22244 1gw5A expands to /projects/compbio/data/pdb/1gw5.pdb.gz 1gw5A:Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X Bad short name: UNK for alphabet: ExtAA Replacing UNK with X # 1gw5A.32.102 read from T0532.t2k.many.frag # adding 1gw5A to template set # found chain 1gw5A in template set T0532 32 :ATTKVTSSL 1gw5A 103 :NSNSELIRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22245 # 1mugA.32.78 read from T0532.t2k.many.frag # found chain 1mugA in training set T0532 32 :ATTKVTSSL 1mugA 79 :EVSKQELHA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22246 # 1e7uA.32.424 read from T0532.t2k.many.frag # found chain 1e7uA in template set T0532 32 :ATTKVTSSL 1e7uA 566 :PLTAEDKEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22247 1xo0A expands to /projects/compbio/data/pdb/1xo0.pdb.gz 1xo0A:# 1xo0A.32.45 read from T0532.t2k.many.frag # adding 1xo0A to template set # found chain 1xo0A in template set Warning: unaligning (T0532)A32 (1xo0A)P65 because C (cis) conformation "forbidden" or filtered. T0532 33 :TTKVTSSL 1xo0A 66 :AEPEDVRD Number of specific fragments extracted= 1 number of extra gaps= 1 total=22248 # 2bvlA.32.17 read from T0532.t2k.many.frag # found chain 2bvlA in template set T0532 32 :ATTKVTSSL 2bvlA 18 :RTQEDEYVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22249 2bw3A expands to /projects/compbio/data/pdb/2bw3.pdb.gz 2bw3A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2bw3A.32.142 read from T0532.t2k.many.frag # adding 2bw3A to template set # found chain 2bw3A in template set T0532 32 :ATTKVTSSL 2bw3A 218 :RSTAENIYK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22250 # 1b25A.33.209 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 33 :TTKVTSSLL 1b25A 210 :ADKEELKKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22251 # 1v74A.33.31 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 33 :TTKVTSSLL 1v74A 622 :KNRETLTKF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22252 # 1f5qB.33.14 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 33 :TTKVTSSLL 1f5qB 15 :LNEEDCRQM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22253 # 1ji7A.33.14 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 33 :TTKVTSSLL 1ji7A 29 :WSRDDVAQW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22254 # 1z53A.33.13 read from T0532.t2k.many.frag # found chain 1z53A in template set Warning: unaligning (T0532)T34 (1z53A)S15 because Y (epsilon') conformation "forbidden" or filtered. T0532 33 :T 1z53A 14 :R T0532 35 :KVTSSLL 1z53A 16 :YEDFQKV Number of specific fragments extracted= 2 number of extra gaps= 1 total=22256 # 1jk0B.33.73 read from T0532.t2k.many.frag # found chain 1jk0B in template set T0532 33 :TTKVTSSLL 1jk0B 74 :LTDDQKTYI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22257 # 1kxu.33.23 read from T0532.t2k.many.frag # found chain 1kxu in template set T0532 33 :TTKVTSSLL 1kxu 14 :SSEEQLARL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22258 # 1pinA.33.79 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 33 :TTKVTSSLL 1pinA 80 :RTKEEALEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22259 # 1ybdA.33.26 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 33 :TTKVTSSLL 1ybdA 29 :INHDTIVQT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22260 # 1wdpA.33.29 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)T33 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wdpA)E30 T0532 34 :TKVTSSLL 1wdpA 31 :DPDGLKEQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=22261 # 1wuiL.33.143 read from T0532.t2k.many.frag # found chain 1wuiL in template set T0532 33 :TTKVTSSLL 1wuiL 162 :TTAADLKAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22262 # 1mpxA.33.118 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 33 :TTKVTSSLL 1mpxA 141 :PSEVDHATD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22263 # 2bmaA.33.157 read from T0532.t2k.many.frag # found chain 2bmaA in template set T0532 33 :TTKVTSSLL 2bmaA 135 :KSDNEILKF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22264 # 2fckA.33.48 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)T33 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2fckA)F46 T0532 34 :TKVTSSLL 2fckA 47 :SQQEAEQF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22265 # 1oohA.33.40 read from T0532.t2k.many.frag # found chain 1oohA in training set T0532 33 :TTKVTSSLL 1oohA 39 :PPSQDLMCY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22266 # 1mugA.33.79 read from T0532.t2k.many.frag # found chain 1mugA in training set T0532 33 :TTKVTSSLL 1mugA 80 :VSKQELHAG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22267 1wxcA expands to /projects/compbio/data/pdb/1wxc.pdb.gz 1wxcA:Skipped atom 89, because occupancy 0.420 <= existing 0.580 in 1wxcA Skipped atom 91, because occupancy 0.420 <= existing 0.580 in 1wxcA Skipped atom 93, because occupancy 0.420 <= existing 0.580 in 1wxcA Skipped atom 95, because occupancy 0.420 <= existing 0.580 in 1wxcA Skipped atom 131, because occupancy 0.350 <= existing 0.650 in 1wxcA Skipped atom 133, because occupancy 0.350 <= existing 0.650 in 1wxcA Skipped atom 135, because occupancy 0.350 <= existing 0.650 in 1wxcA Skipped atom 137, because occupancy 0.350 <= existing 0.650 in 1wxcA Skipped atom 139, because occupancy 0.350 <= existing 0.650 in 1wxcA Skipped atom 141, because occupancy 0.350 <= existing 0.650 in 1wxcA Skipped atom 351, because occupancy 0.200 <= existing 0.800 in 1wxcA Skipped atom 353, because occupancy 0.200 <= existing 0.800 in 1wxcA Skipped atom 355, because occupancy 0.200 <= existing 0.800 in 1wxcA Skipped atom 357, because occupancy 0.200 <= existing 0.800 in 1wxcA Skipped atom 1179, because occupancy 0.400 <= existing 0.600 in 1wxcA Skipped atom 1181, because occupancy 0.400 <= existing 0.600 in 1wxcA Skipped atom 1699, because occupancy 0.430 <= existing 0.570 in 1wxcA Skipped atom 1701, because occupancy 0.430 <= existing 0.570 in 1wxcA Skipped atom 1703, because occupancy 0.430 <= existing 0.570 in 1wxcA Skipped atom 1870, because occupancy 0.380 <= existing 0.620 in 1wxcA Skipped atom 1872, because occupancy 0.380 <= existing 0.620 in 1wxcA Skipped atom 1874, because occupancy 0.380 <= existing 0.620 in 1wxcA Skipped atom 1876, because occupancy 0.380 <= existing 0.620 in 1wxcA Skipped atom 1878, because occupancy 0.380 <= existing 0.620 in 1wxcA Skipped atom 1880, because occupancy 0.380 <= existing 0.620 in 1wxcA # 1wxcA.33.9 read from T0532.t2k.many.frag # adding 1wxcA to template set # found chain 1wxcA in template set T0532 33 :TTKVTSSLL 1wxcA 10 :LTADEKRRF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22268 # 1i6lA.33.48 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 33 :TTKVTSSLL 1i6lA 49 :QDPHELRQN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22269 # 2fbqA.33.85 read from T0532.t2k.many.frag # found chain 2fbqA in template set T0532 33 :TTKVTSSLL 2fbqA 84 :ATLEDLLHL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22270 # 1fpoA.33.14 read from T0532.t2k.many.frag # found chain 1fpoA in training set T0532 33 :TTKVTSSLL 1fpoA 15 :LDTQALSLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22271 1eerA expands to /projects/compbio/data/pdb/1eer.pdb.gz 1eerA:# 1eerA.33.6 read from T0532.t2k.many.frag # adding 1eerA to template set # found chain 1eerA in template set T0532 33 :TTKVTSSLL 1eerA 7 :CDSRVLERY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22272 # 2aalA.33.11 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 33 :TTKVTSSLL 2aalA 11 :RTDAQIKSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22273 # 2bw3A.33.143 read from T0532.t2k.many.frag # found chain 2bw3A in template set T0532 33 :TTKVTSSLL 2bw3A 219 :STAENIYKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22274 # 1xo0A.33.46 read from T0532.t2k.many.frag # found chain 1xo0A in template set T0532 33 :TTKVTSSLL 1xo0A 66 :AEPEDVRDY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22275 # 1e7uA.33.425 read from T0532.t2k.many.frag # found chain 1e7uA in template set T0532 33 :TTKVTSSLL 1e7uA 567 :LTAEDKELL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22276 # 1gw5A.33.103 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 33 :TTKVTSSLL 1gw5A 104 :SNSELIRLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22277 # 1qv9A.33.43 read from T0532.t2k.many.frag # found chain 1qv9A in training set T0532 33 :TTKVTSSLL 1qv9A 44 :MDPECVEAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22278 # 1lucA.33.14 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 33 :TTKVTSSLL 1lucA 15 :LSQTEVMKR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22279 # 2bvlA.33.18 read from T0532.t2k.many.frag # found chain 2bvlA in template set Warning: unaligning (T0532)K35 (2bvlA)E21 because P (beta_P) conformation "forbidden" or filtered. T0532 33 :TT 2bvlA 19 :TQ T0532 36 :VTSSLL 2bvlA 22 :DEYVAI Number of specific fragments extracted= 2 number of extra gaps= 1 total=22281 # 1dc1A.33.18 read from T0532.t2k.many.frag # found chain 1dc1A in training set T0532 33 :TTKVTSSLL 1dc1A 19 :TTYEEYRAG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22282 # 1b25A.34.210 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 34 :TKVTSSLLA 1b25A 211 :DKEELKKLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22283 # 1v74A.34.32 read from T0532.t2k.many.frag # found chain 1v74A in template set Warning: unaligning (T0532)T34 (1v74A)N623 because Y (epsilon') conformation "forbidden" or filtered. T0532 35 :KVTSSLLA 1v74A 624 :RETLTKFR Number of specific fragments extracted= 1 number of extra gaps= 1 total=22284 # 1f5qB.34.15 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 34 :TKVTSSLLA 1f5qB 16 :NEEDCRQMI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22285 # 1z53A.34.14 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 34 :TKVTSSLLA 1z53A 15 :SYEDFQKVY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22286 # 1ji7A.34.15 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 34 :TKVTSSLLA 1ji7A 30 :SRDDVAQWL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22287 # 1mpxA.34.119 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 34 :TKVTSSLLA 1mpxA 142 :SEVDHATDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22288 # 1jk0B.34.74 read from T0532.t2k.many.frag # found chain 1jk0B in template set T0532 34 :TKVTSSLLA 1jk0B 75 :TDDQKTYIG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22289 # 1eerA.34.7 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 34 :TKVTSSLLA 1eerA 8 :DSRVLERYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22290 # 1pinA.34.80 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 34 :TKVTSSLLA 1pinA 81 :TKEEALELI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22291 # 1wxcA.34.10 read from T0532.t2k.many.frag # found chain 1wxcA in template set T0532 34 :TKVTSSLLA 1wxcA 11 :TADEKRRFV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22292 # 2az4A.34.232 read from T0532.t2k.many.frag # found chain 2az4A in template set T0532 34 :TKVTSSLLA 2az4A 233 :AVVSEEDLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22293 # 2fckA.34.49 read from T0532.t2k.many.frag # found chain 2fckA in template set T0532 34 :TKVTSSLLA 2fckA 47 :SQQEAEQFI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22294 # 2aalA.34.12 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 34 :TKVTSSLLA 2aalA 12 :TDAQIKSLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22295 # 1ybdA.34.27 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 34 :TKVTSSLLA 1ybdA 30 :NHDTIVQTV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22296 # 1qv9A.34.44 read from T0532.t2k.many.frag # found chain 1qv9A in training set T0532 34 :TKVTSSLLA 1qv9A 45 :DPECVEAAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22297 1w5tA expands to /projects/compbio/data/pdb/1w5t.pdb.gz 1w5tA:# 1w5tA.34.26 read from T0532.t2k.many.frag # adding 1w5tA to template set # found chain 1w5tA in template set Warning: unaligning (T0532)T34 (1w5tA)R27 because T (delta_L) conformation "forbidden" or filtered. T0532 35 :KVTSSLLA 1w5tA 28 :RGEAEALA Number of specific fragments extracted= 1 number of extra gaps= 1 total=22298 # 1gw5A.34.104 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 34 :TKVTSSLLA 1gw5A 105 :NSELIRLIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22299 # 1e7uA.34.426 read from T0532.t2k.many.frag # found chain 1e7uA in template set T0532 34 :TKVTSSLLA 1e7uA 568 :TAEDKELLW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22300 # 1u60A.34.2 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 34 :TKVTSSLLA 1u60A 3 :DANKLQQAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22301 # 1kxu.34.24 read from T0532.t2k.many.frag # found chain 1kxu in template set T0532 34 :TKVTSSLLA 1kxu 15 :SEEQLARLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22302 # 2absA.34.267 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)T34 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (2absA)N248 T0532 35 :KVTSSLLA 2absA 249 :KEHAVEVC Number of specific fragments extracted= 1 number of extra gaps= 0 total=22303 # 1wdpA.34.30 read from T0532.t2k.many.frag # found chain 1wdpA in template set Warning: unaligning (T0532)T34 (1wdpA)D31 because D (zeta) conformation "forbidden" or filtered. T0532 35 :KVTSSLLA 1wdpA 32 :PDGLKEQL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22304 # 1wuiL.34.144 read from T0532.t2k.many.frag # found chain 1wuiL in template set T0532 34 :TKVTSSLLA 1wuiL 163 :TAADLKAVQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22305 # 1rwhA.34.4 read from T0532.t2k.many.frag # found chain 1rwhA in training set Warning: unaligning (T0532)T34 (1rwhA)G5 because Y (epsilon') conformation "forbidden" or filtered. T0532 35 :KVTSSLLA 1rwhA 6 :AAEFAALR Number of specific fragments extracted= 1 number of extra gaps= 1 total=22306 # 1xo0A.34.47 read from T0532.t2k.many.frag # found chain 1xo0A in template set T0532 34 :TKVTSSLLA 1xo0A 67 :EPEDVRDYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22307 # 1lucA.34.15 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 34 :TKVTSSLLA 1lucA 16 :SQTEVMKRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22308 # 1mg7A.34.146 read from T0532.t2k.many.frag # found chain 1mg7A in training set T0532 34 :TKVTSSLLA 1mg7A 153 :DQEVLKSIM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22309 # 1q0rA.34.72 read from T0532.t2k.many.frag # found chain 1q0rA in training set Warning: unaligning (T0532)T37 (1q0rA)G76 because Y (epsilon') conformation "forbidden" or filtered. T0532 34 :TKV 1q0rA 73 :HPY T0532 38 :SSLLA 1q0rA 77 :FGELA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22311 # 1fpoA.34.15 read from T0532.t2k.many.frag # found chain 1fpoA in training set T0532 34 :TKVTSSLLA 1fpoA 16 :DTQALSLRF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22312 1j9lA expands to /projects/compbio/data/pdb/1j9l.pdb.gz 1j9lA:# 1j9lA.34.134 read from T0532.t2k.many.frag # adding 1j9lA to template set # found chain 1j9lA in template set T0532 34 :TKVTSSLLA 1j9lA 135 :DFEGAARFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22313 # 1b25A.35.211 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 35 :KVTSSLLAT 1b25A 212 :KEELKKLSQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22314 # 1v74A.35.33 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 35 :KVTSSLLAT 1v74A 624 :RETLTKFRD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22315 # 1z53A.35.15 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 35 :KVTSSLLAT 1z53A 16 :YEDFQKVYN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22316 # 1f5qB.35.16 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 35 :KVTSSLLAT 1f5qB 17 :EEDCRQMIY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22317 # 1ji7A.35.16 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 35 :KVTSSLLAT 1ji7A 31 :RDDVAQWLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22318 # 1eerA.35.8 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 35 :KVTSSLLAT 1eerA 9 :SRVLERYLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22319 # 1pinA.35.81 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 35 :KVTSSLLAT 1pinA 82 :KEEALELIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22320 # 2aalA.35.13 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 35 :KVTSSLLAT 2aalA 13 :DAQIKSLLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22321 # 1w5tA.35.27 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 35 :KVTSSLLAT 1w5tA 28 :RGEAEALAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22322 # 2fckA.35.50 read from T0532.t2k.many.frag # found chain 2fckA in template set T0532 35 :KVTSSLLAT 2fckA 48 :QQEAEQFIQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22323 # 1mpxA.35.120 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 35 :KVTSSLLAT 1mpxA 143 :EVDHATDAW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22324 # 2absA.35.268 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 35 :KVTSSLLAT 2absA 249 :KEHAVEVCT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22325 # 1u60A.35.3 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 35 :KVTSSLLAT 1u60A 4 :ANKLQQAVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22326 # 1lucA.35.16 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 35 :KVTSSLLAT 1lucA 17 :QTEVMKRLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22327 # 1qv9A.35.45 read from T0532.t2k.many.frag # found chain 1qv9A in training set T0532 35 :KVTSSLLAT 1qv9A 46 :PECVEAAVE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22328 # 1wxcA.35.11 read from T0532.t2k.many.frag # found chain 1wxcA in template set T0532 35 :KVTSSLLAT 1wxcA 12 :ADEKRRFVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22329 # 1wuiL.35.145 read from T0532.t2k.many.frag # found chain 1wuiL in template set T0532 35 :KVTSSLLAT 1wuiL 164 :AADLKAVQD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22330 # 1jk0B.35.75 read from T0532.t2k.many.frag # found chain 1jk0B in template set T0532 35 :KVTSSLLAT 1jk0B 76 :DDQKTYIGN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22331 # 1mg7A.35.147 read from T0532.t2k.many.frag # found chain 1mg7A in training set T0532 35 :KVTSSLLAT 1mg7A 154 :QEVLKSIMN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22332 # 1j9lA.35.135 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 35 :KVTSSLLAT 1j9lA 136 :FEGAARFLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22333 # 1gw5A.35.105 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 35 :KVTSSLLAT 1gw5A 106 :SELIRLINN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22334 # 1ybdA.35.28 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 35 :KVTSSLLAT 1ybdA 31 :HDTIVQTVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22335 # 1xo0A.35.48 read from T0532.t2k.many.frag # found chain 1xo0A in template set T0532 35 :KVTSSLLAT 1xo0A 68 :PEDVRDYLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22336 # 1wdpA.35.31 read from T0532.t2k.many.frag # found chain 1wdpA in template set T0532 35 :KVTSSLLAT 1wdpA 32 :PDGLKEQLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22337 # 1rwhA.35.5 read from T0532.t2k.many.frag # found chain 1rwhA in training set T0532 35 :KVTSSLLAT 1rwhA 6 :AAEFAALRN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22338 # 2az4A.35.233 read from T0532.t2k.many.frag # found chain 2az4A in template set Warning: unaligning (T0532)T37 (2az4A)S236 because Y (epsilon') conformation "forbidden" or filtered. T0532 35 :KV 2az4A 234 :VV T0532 38 :SSLLAT 2az4A 237 :EEDLVQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22340 # 1q0rA.35.73 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 35 :KVTSSLLAT 1q0rA 74 :PYGFGELAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22341 2f6lA expands to /projects/compbio/data/pdb/2f6l.pdb.gz 2f6lA:Skipped atom 54, because occupancy 0.300 <= existing 0.700 in 2f6lA Skipped atom 56, because occupancy 0.300 <= existing 0.700 in 2f6lA Skipped atom 58, because occupancy 0.300 <= existing 0.700 in 2f6lA Skipped atom 60, because occupancy 0.300 <= existing 0.700 in 2f6lA Skipped atom 220, because occupancy 0.400 <= existing 0.600 in 2f6lA Skipped atom 222, because occupancy 0.400 <= existing 0.600 in 2f6lA Skipped atom 224, because occupancy 0.400 <= existing 0.600 in 2f6lA Skipped atom 226, because occupancy 0.400 <= existing 0.600 in 2f6lA Skipped atom 228, because occupancy 0.400 <= existing 0.600 in 2f6lA Skipped atom 230, because occupancy 0.400 <= existing 0.600 in 2f6lA Skipped atom 266, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 268, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 270, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 322, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 324, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 326, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 328, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 366, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 368, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 370, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 372, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 430, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 432, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 434, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 436, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 572, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 574, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 576, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 578, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 580, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 582, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 856, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 887, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 889, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 891, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 893, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 895, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 897, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 1134, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 1136, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 1138, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 1140, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 1142, because occupancy 0.500 <= existing 0.500 in 2f6lA Skipped atom 1144, because occupancy 0.500 <= existing 0.500 in 2f6lA # 2f6lA.35.36 read from T0532.t2k.many.frag # adding 2f6lA to template set # found chain 2f6lA in template set T0532 35 :KVTSSLLAT 2f6lA 70 :SGRVEQQLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22342 # 1kkoA.35.280 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 35 :KVTSSLLAT 1kkoA 281 :KPDQIRMLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22343 2f1rA expands to /projects/compbio/data/pdb/2f1r.pdb.gz 2f1rA:# 2f1rA.35.11 read from T0532.t2k.many.frag # adding 2f1rA to template set # found chain 2f1rA in template set T0532 35 :KVTSSLLAT 2f1rA 12 :DSGKTTLIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22344 # 1b25A.36.212 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 36 :VTSSLLATG 1b25A 213 :EELKKLSQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22345 # 1v74A.36.34 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 36 :VTSSLLATG 1v74A 625 :ETLTKFRDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22346 # 1z53A.36.16 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 36 :VTSSLLATG 1z53A 17 :EDFQKVYNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22347 # 1w5tA.36.28 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 36 :VTSSLLATG 1w5tA 29 :GEAEALARI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22348 # 2aalA.36.14 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 36 :VTSSLLATG 2aalA 14 :AQIKSLLDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22349 # 1eerA.36.9 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 36 :VTSSLLATG 1eerA 10 :RVLERYLLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22350 # 2absA.36.269 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 36 :VTSSLLATG 2absA 250 :EHAVEVCTG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22351 # 1ji7A.36.17 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 36 :VTSSLLATG 1ji7A 32 :DDVAQWLKW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22352 # 1u60A.36.4 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 36 :VTSSLLATG 1u60A 5 :NKLQQAVDQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22353 # 2fckA.36.51 read from T0532.t2k.many.frag # found chain 2fckA in template set T0532 36 :VTSSLLATG 2fckA 49 :QEAEQFIQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22354 # 1pinA.36.82 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 36 :VTSSLLATG 1pinA 83 :EEALELING Number of specific fragments extracted= 1 number of extra gaps= 0 total=22355 # 1f5qB.36.17 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 36 :VTSSLLATG 1f5qB 18 :EDCRQMIYR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22356 # 2f1rA.36.12 read from T0532.t2k.many.frag # found chain 2f1rA in template set T0532 36 :VTSSLLATG 2f1rA 13 :SGKTTLITR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22357 # 1gw5A.36.106 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 36 :VTSSLLATG 1gw5A 107 :ELIRLINNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22358 # 1qv9A.36.46 read from T0532.t2k.many.frag # found chain 1qv9A in training set T0532 36 :VTSSLLATG 1qv9A 47 :ECVEAAVEM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22359 # 1lucA.36.17 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 36 :VTSSLLATG 1lucA 18 :TEVMKRLVN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22360 # 1wxcA.36.12 read from T0532.t2k.many.frag # found chain 1wxcA in template set T0532 36 :VTSSLLATG 1wxcA 13 :DEKRRFVAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22361 # 1q0rA.36.74 read from T0532.t2k.many.frag # found chain 1q0rA in training set Warning: unaligning (T0532)T37 (1q0rA)G76 because Y (epsilon') conformation "forbidden" or filtered. T0532 36 :V 1q0rA 75 :Y T0532 38 :SSLLATG 1q0rA 77 :FGELAAD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22363 # 1mg7A.36.148 read from T0532.t2k.many.frag # found chain 1mg7A in training set T0532 36 :VTSSLLATG 1mg7A 155 :EVLKSIMNS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22364 # 1kkoA.36.281 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 36 :VTSSLLATG 1kkoA 282 :PDQIRMLTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22365 # 1di1A.36.84 read from T0532.t2k.many.frag # found chain 1di1A in template set T0532 36 :VTSSLLATG 1di1A 124 :ADGEAYNNR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22366 1fjgK expands to /projects/compbio/data/pdb/1fjg.pdb.gz 1fjgK:# 1fjgK.36.58 read from T0532.t2k.many.frag # adding 1fjgK to template set # found chain 1fjgK in template set T0532 36 :VTSSLLATG 1fjgK 59 :YAAQLAALD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22367 # 1mpxA.36.121 read from T0532.t2k.many.frag # found chain 1mpxA in template set Warning: unaligning (T0532)T37 (1mpxA)D145 because Y (epsilon') conformation "forbidden" or filtered. T0532 36 :V 1mpxA 144 :V T0532 38 :SSLLATG 1mpxA 146 :HATDAWD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22369 # 1rwhA.36.6 read from T0532.t2k.many.frag # found chain 1rwhA in training set T0532 36 :VTSSLLATG 1rwhA 7 :AEFAALRNR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22370 2au5A expands to /projects/compbio/data/pdb/2au5.pdb.gz 2au5A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 15, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 17, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 19, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 21, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 23, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 25, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 27, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 29, because occupancy 0.500 <= existing 0.500 in 2au5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 379, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 381, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 383, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 385, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 387, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 389, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 391, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 393, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 395, because occupancy 0.500 <= existing 0.500 in 2au5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 569, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 573, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 581, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 625, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 627, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 629, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 631, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 633, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 635, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 637, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 639, because occupancy 0.500 <= existing 0.500 in 2au5A Skipped atom 641, because occupancy 0.500 <= existing 0.500 in 2au5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2au5A.36.18 read from T0532.t2k.many.frag # adding 2au5A to template set # found chain 2au5A in template set T0532 36 :VTSSLLATG 2au5A 16 :EITRSFLSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22371 1v4sA expands to /projects/compbio/data/pdb/1v4s.pdb.gz 1v4sA:# 1v4sA.36.17 read from T0532.t2k.many.frag # adding 1v4sA to template set # found chain 1v4sA in template set T0532 36 :VTSSLLATG 1v4sA 28 :EDLKKVMRR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22372 # 1j9lA.36.136 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 36 :VTSSLLATG 1j9lA 137 :EGAARFLID Number of specific fragments extracted= 1 number of extra gaps= 0 total=22373 # 1xo0A.36.49 read from T0532.t2k.many.frag # found chain 1xo0A in template set T0532 36 :VTSSLLATG 1xo0A 69 :EDVRDYLLY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22374 # 2az4A.36.234 read from T0532.t2k.many.frag # found chain 2az4A in template set T0532 36 :VTSSLLATG 2az4A 235 :VSEEDLVQH Number of specific fragments extracted= 1 number of extra gaps= 0 total=22375 # 2bptA.36.402 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 36 :VTSSLLATG 2bptA 403 :VQRTYYVHQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22376 # 1b25A.37.213 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 37 :TSSLLATGL 1b25A 214 :ELKKLSQEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22377 # 1z53A.37.17 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 37 :TSSLLATGL 1z53A 18 :DFQKVYNAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22378 # 1v74A.37.35 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 37 :TSSLLATGL 1v74A 626 :TLTKFRDAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22379 # 1u60A.37.5 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 37 :TSSLLATGL 1u60A 6 :KLQQAVDQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22380 # 1w5tA.37.29 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 37 :TSSLLATGL 1w5tA 30 :EAEALARIY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22381 # 2absA.37.270 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)G44 (2absA)G258 because H (helix) conformation "forbidden" or filtered. T0532 37 :TSSLLAT 2absA 251 :HAVEVCT T0532 45 :L 2absA 259 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=22383 # 2aalA.37.15 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 37 :TSSLLATGL 2aalA 15 :QIKSLLDAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22384 # 1pinA.37.83 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)G44 (1pinA)G91 because H (helix) conformation "forbidden" or filtered. T0532 37 :TSSLLAT 1pinA 84 :EALELIN T0532 45 :L 1pinA 92 :Y Number of specific fragments extracted= 2 number of extra gaps= 1 total=22386 # 1eerA.37.10 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 37 :TSSLLATGL 1eerA 11 :VLERYLLEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22387 # 1lucA.37.18 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 37 :TSSLLATGL 1lucA 19 :EVMKRLVNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22388 # 1kkoA.37.282 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 37 :TSSLLATGL 1kkoA 283 :DQIRMLTAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22389 # 1q0rA.37.75 read from T0532.t2k.many.frag # found chain 1q0rA in training set Warning: unaligning (T0532)T37 (1q0rA)G76 because Y (epsilon') conformation "forbidden" or filtered. T0532 38 :SSLLATGL 1q0rA 77 :FGELAADA Number of specific fragments extracted= 1 number of extra gaps= 1 total=22390 # 2fckA.37.52 read from T0532.t2k.many.frag # found chain 2fckA in template set T0532 37 :TSSLLATGL 2fckA 50 :EAEQFIQAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22391 # 1mpxA.37.122 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 37 :TSSLLATGL 1mpxA 145 :DHATDAWDT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22392 # 2f1rA.37.13 read from T0532.t2k.many.frag # found chain 2f1rA in template set T0532 37 :TSSLLATGL 2f1rA 14 :GKTTLITRM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22393 # 2au5A.37.19 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 37 :TSSLLATGL 2au5A 17 :ITRSFLSNM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22394 # 1mg7A.37.149 read from T0532.t2k.many.frag # found chain 1mg7A in training set T0532 37 :TSSLLATGL 1mg7A 156 :VLKSIMNSV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22395 # 1ji7A.37.18 read from T0532.t2k.many.frag # found chain 1ji7A in training set T0532 37 :TSSLLATGL 1ji7A 33 :DVAQWLKWA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22396 # 1evlA.37.150 read from T0532.t2k.many.frag # found chain 1evlA in training set T0532 37 :TSSLLATGL 1evlA 392 :QIRDEVNGC Number of specific fragments extracted= 1 number of extra gaps= 0 total=22397 # 1qv9A.37.47 read from T0532.t2k.many.frag # found chain 1qv9A in training set T0532 37 :TSSLLATGL 1qv9A 48 :CVEAAVEMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22398 # 2f6lA.37.38 read from T0532.t2k.many.frag # found chain 2f6lA in template set T0532 37 :TSSLLATGL 2f6lA 72 :RVEQQLAKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22399 # 1j9lA.37.137 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 37 :TSSLLATGL 1j9lA 138 :GAARFLIDF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22400 # 1di1A.37.85 read from T0532.t2k.many.frag # found chain 1di1A in template set T0532 37 :TSSLLATGL 1di1A 125 :DGEAYNNRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22401 # 1fjgK.37.59 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 37 :TSSLLATGL 1fjgK 60 :AAQLAALDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22402 # 1unlD.37.73 read from T0532.t2k.many.frag # found chain 1unlD in template set T0532 37 :TSSLLATGL 1unlD 173 :DPVLWLRSV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22403 # 1gw5A.37.107 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 37 :TSSLLATGL 1gw5A 108 :LIRLINNAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22404 # 1wxcA.37.13 read from T0532.t2k.many.frag # found chain 1wxcA in template set T0532 37 :TSSLLATGL 1wxcA 14 :EKRRFVAAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22405 # 1g8kA.37.137 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)G44 (1g8kA)G145 because H (helix) conformation "forbidden" or filtered. T0532 37 :TSSLLAT 1g8kA 138 :HAMALYA T0532 45 :L 1g8kA 146 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=22407 # 1v4sA.37.18 read from T0532.t2k.many.frag # found chain 1v4sA in template set T0532 37 :TSSLLATGL 1v4sA 29 :DLKKVMRRM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22408 # 1rwhA.37.7 read from T0532.t2k.many.frag # found chain 1rwhA in training set T0532 37 :TSSLLATGL 1rwhA 8 :EFAALRNRW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22409 # 1b25A.38.214 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 38 :SSLLATGLL 1b25A 215 :LKKLSQEAY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22410 # 1z53A.38.18 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 38 :SSLLATGLL 1z53A 19 :FQKVYNAIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22411 # 1u60A.38.6 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 38 :SSLLATGLL 1u60A 7 :LQQAVDQAY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22412 # 1v74A.38.36 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 38 :SSLLATGLL 1v74A 627 :LTKFRDAIE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22413 # 1w5tA.38.30 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 38 :SSLLATGLL 1w5tA 31 :AEALARIYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22414 # 1pinA.38.84 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 38 :SSLLATGLL 1pinA 85 :ALELINGYI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22415 # 2absA.38.271 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 38 :SSLLATGLL 2absA 252 :AVEVCTGAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22416 # 1kkoA.38.283 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 38 :SSLLATGLL 1kkoA 284 :QIRMLTAIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22417 # 2aalA.38.16 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 38 :SSLLATGLL 2aalA 16 :IKSLLDAAH Number of specific fragments extracted= 1 number of extra gaps= 0 total=22418 # 1lucA.38.19 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 38 :SSLLATGLL 1lucA 20 :VMKRLVNLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22419 # 2f1rA.38.14 read from T0532.t2k.many.frag # found chain 2f1rA in template set T0532 38 :SSLLATGLL 2f1rA 15 :KTTLITRMM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22420 # 1mpxA.38.123 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 38 :SSLLATGLL 1mpxA 146 :HATDAWDTI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22421 # 2au5A.38.20 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 38 :SSLLATGLL 2au5A 18 :TRSFLSNML Number of specific fragments extracted= 1 number of extra gaps= 0 total=22422 # 1eerA.38.11 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 38 :SSLLATGLL 1eerA 12 :LERYLLEAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22423 # 1q0rA.38.76 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 38 :SSLLATGLL 1q0rA 77 :FGELAADAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22424 # 1evlA.38.151 read from T0532.t2k.many.frag # found chain 1evlA in training set T0532 38 :SSLLATGLL 1evlA 393 :IRDEVNGCI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22425 # 1mg7A.38.150 read from T0532.t2k.many.frag # found chain 1mg7A in training set T0532 38 :SSLLATGLL 1mg7A 157 :LKSIMNSVI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22426 # 1gw5A.38.108 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 38 :SSLLATGLL 1gw5A 109 :IRLINNAIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22427 # 1fjgK.38.60 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 38 :SSLLATGLL 1fjgK 61 :AQLAALDAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22428 # 2fckA.38.53 read from T0532.t2k.many.frag # found chain 2fckA in template set T0532 38 :SSLLATGLL 2fckA 51 :AEQFIQATR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22429 # 2f6lA.38.39 read from T0532.t2k.many.frag # found chain 2f6lA in template set T0532 38 :SSLLATGLL 2f6lA 73 :VEQQLAKLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22430 # 1di1A.38.86 read from T0532.t2k.many.frag # found chain 1di1A in template set T0532 38 :SSLLATGLL 1di1A 126 :GEAYNNRLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22431 # 1j9lA.38.138 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 38 :SSLLATGLL 1j9lA 139 :AARFLIDFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22432 # 1unlD.38.74 read from T0532.t2k.many.frag # found chain 1unlD in template set T0532 38 :SSLLATGLL 1unlD 174 :PVLWLRSVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22433 # 1qv9A.38.48 read from T0532.t2k.many.frag # found chain 1qv9A in training set T0532 38 :SSLLATGLL 1qv9A 49 :VEAAVEMAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22434 # 1g8kA.38.138 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 38 :SSLLATGLL 1g8kA 139 :AMALYAGLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22435 # 1gai.38.211 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 38 :SSLLATGLL 1gai 213 :CDSQAPQIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22436 1urjA expands to /projects/compbio/data/pdb/1urj.pdb.gz 1urjA:# 1urjA.38.703 read from T0532.t2k.many.frag # adding 1urjA to template set # found chain 1urjA in template set T0532 38 :SSLLATGLL 1urjA 704 :RNQFQPVLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22437 # 2bptA.38.404 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 38 :SSLLATGLL 2bptA 405 :RTYYVHQAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22438 # 1v4sA.38.19 read from T0532.t2k.many.frag # found chain 1v4sA in template set T0532 38 :SSLLATGLL 1v4sA 30 :LKKVMRRMQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22439 # 1u60A.39.7 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 39 :SLLATGLLL 1u60A 8 :QQAVDQAYT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22440 # 1b25A.39.215 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 39 :SLLATGLLL 1b25A 216 :KKLSQEAYN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22441 # 1z53A.39.19 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 39 :SLLATGLLL 1z53A 20 :QKVYNAIAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22442 # 1pinA.39.85 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)G44 (1pinA)G91 because H (helix) conformation "forbidden" or filtered. T0532 39 :SLLAT 1pinA 86 :LELIN T0532 45 :LLL 1pinA 92 :YIQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22444 # 2absA.39.272 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 39 :SLLATGLLL 2absA 253 :VEVCTGALR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22445 # 1kkoA.39.284 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 39 :SLLATGLLL 1kkoA 285 :IRMLTAITK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22446 # 1lucA.39.20 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 39 :SLLATGLLL 1lucA 21 :MKRLVNLGK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22447 # 1v74A.39.37 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 39 :SLLATGLLL 1v74A 628 :TKFRDAIEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22448 # 1w5tA.39.31 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 39 :SLLATGLLL 1w5tA 32 :EALARIYLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22449 # 2aalA.39.17 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 39 :SLLATGLLL 2aalA 17 :KSLLDAAHG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22450 # 1mpxA.39.124 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 39 :SLLATGLLL 1mpxA 147 :ATDAWDTID Number of specific fragments extracted= 1 number of extra gaps= 0 total=22451 # 1evlA.39.152 read from T0532.t2k.many.frag # found chain 1evlA in training set T0532 39 :SLLATGLLL 1evlA 394 :RDEVNGCIR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22452 # 2au5A.39.21 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 39 :SLLATGLLL 2au5A 19 :RSFLSNMLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22453 # 2f1rA.39.15 read from T0532.t2k.many.frag # found chain 2f1rA in template set T0532 39 :SLLATGLLL 2f1rA 16 :TTLITRMMP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22454 # 1q0rA.39.77 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 39 :SLLATGLLL 1q0rA 78 :GELAADAVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22455 # 1mg7A.39.151 read from T0532.t2k.many.frag # found chain 1mg7A in training set T0532 39 :SLLATGLLL 1mg7A 158 :KSIMNSVIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22456 # 1gai.39.212 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 39 :SLLATGLLL 1gai 214 :DSQAPQILC Number of specific fragments extracted= 1 number of extra gaps= 0 total=22457 # 1g8kA.39.139 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)G44 (1g8kA)G145 because H (helix) conformation "forbidden" or filtered. T0532 39 :SLLAT 1g8kA 140 :MALYA T0532 45 :LLL 1g8kA 146 :LIK Number of specific fragments extracted= 2 number of extra gaps= 1 total=22459 # 1fjgK.39.61 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 39 :SLLATGLLL 1fjgK 62 :QLAALDAAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22460 # 1eerA.39.12 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 39 :SLLATGLLL 1eerA 13 :ERYLLEAKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22461 # 2f6lA.39.40 read from T0532.t2k.many.frag # found chain 2f6lA in template set T0532 39 :SLLATGLLL 2f6lA 74 :EQQLAKLGE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22462 # 1j9lA.39.139 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 39 :SLLATGLLL 1j9lA 140 :ARFLIDFLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22463 # 1unlD.39.75 read from T0532.t2k.many.frag # found chain 1unlD in template set T0532 39 :SLLATGLLL 1unlD 175 :VLWLRSVDR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22464 # 1di1A.39.87 read from T0532.t2k.many.frag # found chain 1di1A in template set T0532 39 :SLLATGLLL 1di1A 127 :EAYNNRLIP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22465 # 1gw5A.39.109 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 39 :SLLATGLLL 1gw5A 110 :RLINNAIKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22466 # 1bkrA.39.5 read from T0532.t2k.many.frag # found chain 1bkrA in training set T0532 39 :SLLATGLLL 1bkrA 6 :DALLLWCQM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22467 # 1urjA.39.704 read from T0532.t2k.many.frag # found chain 1urjA in template set T0532 39 :SLLATGLLL 1urjA 705 :NQFQPVLRR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22468 # 1dlwA.39.12 read from T0532.t2k.many.frag # found chain 1dlwA in training set T0532 39 :SLLATGLLL 1dlwA 13 :QAVTAQFYA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22469 # 2fckA.39.54 read from T0532.t2k.many.frag # found chain 2fckA in template set T0532 39 :SLLATGLLL 2fckA 52 :EQFIQATRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22470 1va6A expands to /projects/compbio/data/pdb/1va6.pdb.gz 1va6A:# 1va6A.39.79 read from T0532.t2k.many.frag # adding 1va6A to template set # found chain 1va6A in template set T0532 39 :SLLATGLLL 1va6A 80 :LTFMRDLHR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22471 # 1u60A.40.8 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 40 :LLATGLLLD 1u60A 9 :QAVDQAYTQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22472 # 1b25A.40.216 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 40 :LLATGLLLD 1b25A 217 :KLSQEAYNE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22473 # 1z53A.40.20 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 40 :LLATGLLLD 1z53A 21 :KVYNAIALK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22474 # 1kkoA.40.285 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 40 :LLATGLLLD 1kkoA 286 :RMLTAITKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22475 # 1pinA.40.86 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 40 :LLATGLLLD 1pinA 87 :ELINGYIQK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22476 # 2absA.40.273 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 40 :LLATGLLLD 2absA 254 :EVCTGALRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22477 # 1v74A.40.38 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 40 :LLATGLLLD 1v74A 629 :KFRDAIEEH Number of specific fragments extracted= 1 number of extra gaps= 0 total=22478 # 1mpxA.40.125 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 40 :LLATGLLLD 1mpxA 148 :TDAWDTIDW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22479 # 1evlA.40.153 read from T0532.t2k.many.frag # found chain 1evlA in training set T0532 40 :LLATGLLLD 1evlA 395 :DEVNGCIRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22480 # 1w5tA.40.32 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 40 :LLATGLLLD 1w5tA 33 :ALARIYLNR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22481 # 2aalA.40.18 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 40 :LLATGLLLD 2aalA 18 :SLLDAAHGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22482 # 1gai.40.213 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 40 :LLATGLLLD 1gai 215 :SQAPQILCY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22483 # 1urjA.40.705 read from T0532.t2k.many.frag # found chain 1urjA in template set T0532 40 :LLATGLLLD 1urjA 706 :QFQPVLRRR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22484 # 1lucA.40.21 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 40 :LLATGLLLD 1lucA 22 :KRLVNLGKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22485 # 1g8kA.40.140 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 40 :LLATGLLLD 1g8kA 141 :ALYAGLIKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22486 # 1bkrA.40.6 read from T0532.t2k.many.frag # found chain 1bkrA in training set T0532 40 :LLATGLLLD 1bkrA 7 :ALLLWCQMK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22487 1u9yA expands to /projects/compbio/data/pdb/1u9y.pdb.gz 1u9yA:# 1u9yA.40.63 read from T0532.t2k.many.frag # adding 1u9yA to template set # found chain 1u9yA in template set T0532 40 :LLATGLLLD 1u9yA 64 :VETILLCDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22488 # 1q0rA.40.78 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 40 :LLATGLLLD 1q0rA 79 :ELAADAVAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22489 # 2au5A.40.22 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 40 :LLATGLLLD 2au5A 20 :SFLSNMLAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22490 # 1unlD.40.76 read from T0532.t2k.many.frag # found chain 1unlD in template set T0532 40 :LLATGLLLD 1unlD 176 :LWLRSVDRS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22491 # 1j9lA.40.140 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 40 :LLATGLLLD 1j9lA 141 :RFLIDFLKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22492 # 1fjgK.40.62 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 40 :LLATGLLLD 1fjgK 63 :LAALDAAKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22493 # 1dlwA.40.13 read from T0532.t2k.many.frag # found chain 1dlwA in training set T0532 40 :LLATGLLLD 1dlwA 14 :AVTAQFYAN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22494 # 1gw5A.40.110 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 40 :LLATGLLLD 1gw5A 111 :LINNAIKND Number of specific fragments extracted= 1 number of extra gaps= 0 total=22495 # 2f6lA.40.41 read from T0532.t2k.many.frag # found chain 2f6lA in template set T0532 40 :LLATGLLLD 2f6lA 75 :QQLAKLGED Number of specific fragments extracted= 1 number of extra gaps= 0 total=22496 # 1mg7A.40.152 read from T0532.t2k.many.frag # found chain 1mg7A in training set T0532 40 :LLATGLLLD 1mg7A 159 :SIMNSVIAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22497 # 2f1rA.40.16 read from T0532.t2k.many.frag # found chain 2f1rA in template set T0532 40 :LLATGLLLD 2f1rA 17 :TLITRMMPI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22498 # 1di1A.40.88 read from T0532.t2k.many.frag # found chain 1di1A in template set T0532 40 :LLATGLLLD 1di1A 128 :AYNNRLIPI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22499 # 1eerA.40.13 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 40 :LLATGLLLD 1eerA 14 :RYLLEAKEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22500 # 1i1wA.40.105 read from T0532.t2k.many.frag # found chain 1i1wA in training set T0532 40 :LLATGLLLD 1i1wA 106 :NVMKNHITT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22501 # 1u60A.41.9 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 41 :LATGLLLDI 1u60A 10 :AVDQAYTQF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22502 # 1b25A.41.217 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 41 :LATGLLLDI 1b25A 218 :LSQEAYNEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22503 # 1kkoA.41.286 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 41 :LATGLLLDI 1kkoA 287 :MLTAITKEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22504 # 2absA.41.274 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)G44 (2absA)G258 because H (helix) conformation "forbidden" or filtered. T0532 41 :LAT 2absA 255 :VCT T0532 45 :LLLDI 2absA 259 :ALRLL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22506 # 1z53A.41.21 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 41 :LATGLLLDI 1z53A 22 :VYNAIALKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22507 # 1pinA.41.87 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 41 :LATGLLLDI 1pinA 88 :LINGYIQKI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22508 # 1u9yA.41.64 read from T0532.t2k.many.frag # found chain 1u9yA in template set T0532 41 :LATGLLLDI 1u9yA 65 :ETILLCDAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22509 # 1mpxA.41.126 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 41 :LATGLLLDI 1mpxA 149 :DAWDTIDWL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22510 # 1w5tA.41.33 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 41 :LATGLLLDI 1w5tA 34 :LARIYLNRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22511 # 1g8kA.41.141 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)G44 (1g8kA)G145 because H (helix) conformation "forbidden" or filtered. T0532 41 :LAT 1g8kA 142 :LYA T0532 45 :LLLDI 1g8kA 146 :LIKKT Number of specific fragments extracted= 2 number of extra gaps= 1 total=22513 # 2aalA.41.19 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 41 :LATGLLLDI 2aalA 19 :LLDAAHGAM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22514 # 1bkrA.41.7 read from T0532.t2k.many.frag # found chain 1bkrA in training set T0532 41 :LATGLLLDI 1bkrA 8 :LLLWCQMKT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22515 # 1urjA.41.706 read from T0532.t2k.many.frag # found chain 1urjA in template set T0532 41 :LATGLLLDI 1urjA 707 :FQPVLRRRV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22516 # 1v74A.41.39 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 41 :LATGLLLDI 1v74A 630 :FRDAIEEHL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22517 # 1gai.41.214 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 41 :LATGLLLDI 1gai 216 :QAPQILCYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22518 # 2au5A.41.23 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 41 :LATGLLLDI 2au5A 21 :FLSNMLAFT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22519 # 1evlA.41.154 read from T0532.t2k.many.frag # found chain 1evlA in training set T0532 41 :LATGLLLDI 1evlA 396 :EVNGCIRLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22520 # 1q0rA.41.79 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 41 :LATGLLLDI 1q0rA 80 :LAADAVAVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22521 # 1lucA.41.22 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 41 :LATGLLLDI 1lucA 23 :RLVNLGKAS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22522 # 1dlwA.41.14 read from T0532.t2k.many.frag # found chain 1dlwA in training set T0532 41 :LATGLLLDI 1dlwA 15 :VTAQFYANI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22523 # 1unlD.41.77 read from T0532.t2k.many.frag # found chain 1unlD in template set T0532 41 :LATGLLLDI 1unlD 177 :WLRSVDRSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22524 # 1j9lA.41.141 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 41 :LATGLLLDI 1j9lA 142 :FLIDFLKEF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22525 # 1fjgK.41.63 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 41 :LATGLLLDI 1fjgK 64 :AALDAAKKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22526 # 1gw5A.41.111 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 41 :LATGLLLDI 1gw5A 112 :INNAIKNDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22527 1ra6A expands to /projects/compbio/data/pdb/1ra6.pdb.gz 1ra6A:Bad short name: AS for alphabet: pdb_atoms Bad short name: AS for alphabet: pdb_atoms Bad short name: AS for alphabet: pdb_atoms Bad short name: AS for alphabet: pdb_atoms # 1ra6A.41.76 read from T0532.t2k.many.frag # adding 1ra6A to template set # found chain 1ra6A in template set T0532 41 :LATGLLLDI 1ra6A 77 :AVDHYAGQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22528 # 1i1wA.41.106 read from T0532.t2k.many.frag # found chain 1i1wA in training set T0532 41 :LATGLLLDI 1i1wA 107 :VMKNHITTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22529 # 2f6lA.41.42 read from T0532.t2k.many.frag # found chain 2f6lA in template set T0532 41 :LATGLLLDI 2f6lA 76 :QLAKLGEDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22530 # 2bptA.41.407 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 41 :LATGLLLDI 2bptA 408 :YVHQALPSI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22531 # 1di1A.41.89 read from T0532.t2k.many.frag # found chain 1di1A in template set T0532 41 :LATGLLLDI 1di1A 129 :YNNRLIPIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22532 # 1eerA.41.14 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 41 :LATGLLLDI 1eerA 15 :YLLEAKEAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22533 # 1u60A.42.10 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 42 :ATGLLLDIT 1u60A 11 :VDQAYTQFH Number of specific fragments extracted= 1 number of extra gaps= 0 total=22534 # 1b25A.42.218 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 42 :ATGLLLDIT 1b25A 219 :SQEAYNEIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22535 # 2absA.42.275 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)T50 (2absA)T264 because G (3-10) conformation "forbidden" or filtered. T0532 42 :ATGLLLDI 2absA 256 :CTGALRLL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22536 # 1kkoA.42.287 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 42 :ATGLLLDIT 1kkoA 288 :LTAITKELT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22537 # 1z53A.42.22 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 42 :ATGLLLDIT 1z53A 23 :YNAIALKLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22538 # 1u9yA.42.65 read from T0532.t2k.many.frag # found chain 1u9yA in template set T0532 42 :ATGLLLDIT 1u9yA 66 :TILLCDALR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22539 # 1pinA.42.88 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 42 :ATGLLLDIT 1pinA 89 :INGYIQKIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22540 # 1urjA.42.707 read from T0532.t2k.many.frag # found chain 1urjA in template set T0532 42 :ATGLLLDIT 1urjA 708 :QPVLRRRVM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22541 # 1bkrA.42.8 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)I49 (1bkrA)T16 because G (3-10) conformation "forbidden" or filtered. T0532 42 :ATGLLLD 1bkrA 9 :LLWCQMK T0532 50 :T 1bkrA 17 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=22543 # 1w5tA.42.34 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 42 :ATGLLLDIT 1w5tA 35 :ARIYLNRLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22544 # 1mpxA.42.127 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 42 :ATGLLLDIT 1mpxA 150 :AWDTIDWLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22545 # 2aalA.42.20 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 42 :ATGLLLDIT 2aalA 20 :LDAAHGAMV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22546 # 1g8kA.42.142 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 42 :ATGLLLDIT 1g8kA 143 :YAGLIKKTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22547 # 1q0rA.42.80 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 42 :ATGLLLDIT 1q0rA 81 :AADAVAVLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22548 # 1gai.42.215 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 42 :ATGLLLDIT 1gai 217 :APQILCYLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22549 # 1v74A.42.40 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 42 :ATGLLLDIT 1v74A 631 :RDAIEEHLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22550 # 1dlwA.42.15 read from T0532.t2k.many.frag # found chain 1dlwA in training set T0532 42 :ATGLLLDIT 1dlwA 16 :TAQFYANIQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22551 # 1j9lA.42.142 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 42 :ATGLLLDIT 1j9lA 143 :LIDFLKEFD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22552 # 1evlA.42.155 read from T0532.t2k.many.frag # found chain 1evlA in training set T0532 42 :ATGLLLDIT 1evlA 397 :VNGCIRLVY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22553 # 2au5A.42.24 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 42 :ATGLLLDIT 2au5A 22 :LSNMLAFTR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22554 # 1fjgK.42.64 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 42 :ATGLLLDIT 1fjgK 65 :ALDAAKKAM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22555 # 1ra6A.42.77 read from T0532.t2k.many.frag # found chain 1ra6A in template set T0532 42 :ATGLLLDIT 1ra6A 78 :VDHYAGQLM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22556 # 1unlD.42.78 read from T0532.t2k.many.frag # found chain 1unlD in template set T0532 42 :ATGLLLDIT 1unlD 178 :LRSVDRSLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22557 2a6cA expands to /projects/compbio/data/pdb/2a6c.pdb.gz 2a6cA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2a6cA Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 2a6cA Skipped atom 98, because occupancy 0.500 <= existing 0.500 in 2a6cA Skipped atom 100, because occupancy 0.500 <= existing 0.500 in 2a6cA Skipped atom 102, because occupancy 0.500 <= existing 0.500 in 2a6cA Skipped atom 104, because occupancy 0.500 <= existing 0.500 in 2a6cA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2a6cA.42.19 read from T0532.t2k.many.frag # adding 2a6cA to template set # found chain 2a6cA in template set T0532 42 :ATGLLLDIT 2a6cA 8 :LIVLQEHLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22558 # 1lucA.42.23 read from T0532.t2k.many.frag # found chain 1lucA in training set T0532 42 :ATGLLLDIT 1lucA 24 :LVNLGKASE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22559 1g3kA expands to /projects/compbio/data/pdb/1g3k.pdb.gz 1g3kA:# 1g3kA.42.56 read from T0532.t2k.many.frag # adding 1g3kA to template set # found chain 1g3kA in template set T0532 42 :ATGLLLDIT 1g3kA 57 :FELFERKLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22560 # 1gw5A.42.112 read from T0532.t2k.many.frag # found chain 1gw5A in template set T0532 42 :ATGLLLDIT 1gw5A 113 :NNAIKNDLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22561 # 1k3xA.42.9 read from T0532.t2k.many.frag # found chain 1k3xA in training set Warning: unaligning (T0532)I49 (1k3xA)I17 because G (3-10) conformation "forbidden" or filtered. T0532 42 :ATGLLLD 1k3xA 10 :ADNLEAA T0532 50 :T 1k3xA 18 :K Number of specific fragments extracted= 2 number of extra gaps= 1 total=22563 # 1es9A.42.26 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 42 :ATGLLLDIT 1es9A 27 :HHRFVADSK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22564 # 1ijbA.42.34 read from T0532.t2k.many.frag # found chain 1ijbA in training set T0532 42 :ATGLLLDIT 1ijbA 534 :KAFVVDMME Number of specific fragments extracted= 1 number of extra gaps= 0 total=22565 # 1b25A.43.219 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 43 :TGLLLDITS 1b25A 220 :QEAYNEILN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22566 # 1u60A.43.11 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 43 :TGLLLDITS 1u60A 12 :DQAYTQFHS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22567 # 2absA.43.276 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 43 :TGLLLDITS 2absA 257 :TGALRLLTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22568 # 1u9yA.43.66 read from T0532.t2k.many.frag # found chain 1u9yA in template set T0532 43 :TGLLLDITS 1u9yA 67 :ILLCDALRD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22569 # 1kkoA.43.288 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 43 :TGLLLDITS 1kkoA 289 :TAITKELTR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22570 # 1z53A.43.23 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 43 :TGLLLDITS 1z53A 24 :NAIALKLRE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22571 # 1bkrA.43.9 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)I49 (1bkrA)T16 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S51 (1bkrA)G18 because T (delta_L) conformation "forbidden" or filtered. T0532 43 :TGLLLD 1bkrA 10 :LWCQMK T0532 50 :T 1bkrA 17 :A Number of specific fragments extracted= 2 number of extra gaps= 2 total=22573 # 1pinA.43.89 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 43 :TGLLLDITS 1pinA 90 :NGYIQKIKS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22574 # 1urjA.43.708 read from T0532.t2k.many.frag # found chain 1urjA in template set T0532 43 :TGLLLDITS 1urjA 709 :PVLRRRVMD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22575 # 1w5tA.43.35 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 43 :TGLLLDITS 1w5tA 36 :RIYLNRLLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22576 # 1mpxA.43.128 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 43 :TGLLLDITS 1mpxA 151 :WDTIDWLVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22577 # 1g8kA.43.143 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 43 :TGLLLDITS 1g8kA 144 :AGLIKKTLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22578 # 1q0rA.43.81 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 43 :TGLLLDITS 1q0rA 82 :ADAVAVLDG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22579 # 1ra6A.43.78 read from T0532.t2k.many.frag # found chain 1ra6A in template set T0532 43 :TGLLLDITS 1ra6A 79 :DHYAGQLMS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22580 # 2a6cA.43.20 read from T0532.t2k.many.frag # found chain 2a6cA in template set T0532 43 :TGLLLDITS 2a6cA 9 :IVLQEHLRN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22581 # 1k3xA.43.10 read from T0532.t2k.many.frag # found chain 1k3xA in training set Warning: unaligning (T0532)S51 (1k3xA)G19 because T (delta_L) conformation "forbidden" or filtered. T0532 43 :TGLLLDIT 1k3xA 11 :DNLEAAIK Number of specific fragments extracted= 1 number of extra gaps= 1 total=22582 # 1dlwA.43.16 read from T0532.t2k.many.frag # found chain 1dlwA in training set T0532 43 :TGLLLDITS 1dlwA 17 :AQFYANIQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22583 # 2au5A.43.25 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 43 :TGLLLDITS 2au5A 23 :SNMLAFTRG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22584 # 1g3kA.43.57 read from T0532.t2k.many.frag # found chain 1g3kA in template set T0532 43 :TGLLLDITS 1g3kA 58 :ELFERKLEM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22585 # 1gai.43.216 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 43 :TGLLLDITS 1gai 218 :PQILCYLQS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22586 # 2aalA.43.21 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 43 :TGLLLDITS 2aalA 21 :DAAHGAMVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22587 # 1j9lA.43.143 read from T0532.t2k.many.frag # found chain 1j9lA in template set T0532 43 :TGLLLDITS 1j9lA 144 :IDFLKEFDF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22588 # 1es9A.43.27 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 43 :TGLLLDITS 1es9A 28 :HRFVADSKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22589 # 1fjgK.43.65 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 43 :TGLLLDITS 1fjgK 66 :LDAAKKAMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22590 2fnuA expands to /projects/compbio/data/pdb/2fnu.pdb.gz 2fnuA:# 2fnuA.43.60 read from T0532.t2k.many.frag # adding 2fnuA to template set # found chain 2fnuA in template set T0532 43 :TGLLLDITS 2fnuA 61 :LTLYRNFSE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22591 # 1e4cP.43.10 read from T0532.t2k.many.frag # found chain 1e4cP in training set T0532 43 :TGLLLDITS 1e4cP 11 :IDTCLEMTR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22592 1v8bA expands to /projects/compbio/data/pdb/1v8b.pdb.gz 1v8bA:# 1v8bA.43.111 read from T0532.t2k.many.frag # adding 1v8bA to template set # found chain 1v8bA in template set T0532 43 :TGLLLDITS 1v8bA 112 :WCVESALTW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22593 1mw5A expands to /projects/compbio/data/pdb/1mw5.pdb.gz 1mw5A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 59, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 61, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 63, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 65, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 67, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 69, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 71, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 73, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 705, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 707, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 713, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 715, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 717, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 719, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 721, because occupancy 0.500 <= existing 0.500 in 1mw5A Skipped atom 723, because occupancy 0.500 <= existing 0.500 in 1mw5A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1mw5A.43.58 read from T0532.t2k.many.frag # adding 1mw5A to template set # found chain 1mw5A in template set T0532 43 :TGLLLDITS 1mw5A 56 :LKFAQALPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22594 # 1unlD.43.79 read from T0532.t2k.many.frag # found chain 1unlD in template set T0532 43 :TGLLLDITS 1unlD 179 :RSVDRSLLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22595 1x3mA expands to /projects/compbio/data/pdb/1x3m.pdb.gz 1x3mA:# 1x3mA.43.77 read from T0532.t2k.many.frag # adding 1x3mA to template set # found chain 1x3mA in template set T0532 43 :TGLLLDITS 1x3mA 65 :KAIAFELEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22596 # 1u60A.44.12 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)I49 (1u60A)F18 because G (3-10) conformation "forbidden" or filtered. T0532 44 :GLLLD 1u60A 13 :QAYTQ T0532 50 :TSS 1u60A 19 :HSL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22598 # 1b25A.44.220 read from T0532.t2k.many.frag # found chain 1b25A in template set Warning: unaligning (T0532)S51 (1b25A)N228 because G (3-10) conformation "forbidden" or filtered. T0532 44 :GLLLDIT 1b25A 221 :EAYNEIL T0532 52 :S 1b25A 229 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=22600 # 1u9yA.44.67 read from T0532.t2k.many.frag # found chain 1u9yA in template set T0532 44 :GLLLDITSS 1u9yA 68 :LLCDALRDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22601 # 2absA.44.277 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)T50 (2absA)T264 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S51 (2absA)A265 because L (left) conformation "forbidden" or filtered. T0532 44 :GLLLDI 2absA 258 :GALRLL T0532 52 :S 2absA 266 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=22603 # 1bkrA.44.10 read from T0532.t2k.many.frag # found chain 1bkrA in training set T0532 44 :GLLLDITSS 1bkrA 11 :WCQMKTAGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22604 # 1kkoA.44.289 read from T0532.t2k.many.frag # found chain 1kkoA in training set T0532 44 :GLLLDITSS 1kkoA 290 :AITKELTRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22605 # 1z53A.44.24 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 44 :GLLLDITSS 1z53A 25 :AIALKLRED Number of specific fragments extracted= 1 number of extra gaps= 0 total=22606 # 1urjA.44.709 read from T0532.t2k.many.frag # found chain 1urjA in template set T0532 44 :GLLLDITSS 1urjA 710 :VLRRRVMDM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22607 # 1ra6A.44.79 read from T0532.t2k.many.frag # found chain 1ra6A in template set T0532 44 :GLLLDITSS 1ra6A 80 :HYAGQLMSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22608 # 1pinA.44.90 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)S52 (1pinA)G99 because T (delta_L) conformation "forbidden" or filtered. T0532 44 :GLLLDITS 1pinA 91 :GYIQKIKS Number of specific fragments extracted= 1 number of extra gaps= 1 total=22609 # 2a6cA.44.21 read from T0532.t2k.many.frag # found chain 2a6cA in template set T0532 44 :GLLLDITSS 2a6cA 10 :VLQEHLRNS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22610 # 1k3xA.44.11 read from T0532.t2k.many.frag # found chain 1k3xA in training set T0532 44 :GLLLDITSS 1k3xA 12 :NLEAAIKGK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22611 # 1w5tA.44.36 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 44 :GLLLDITSS 1w5tA 37 :IYLNRLLSG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22612 # 1q0rA.44.82 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 44 :GLLLDITSS 1q0rA 83 :DAVAVLDGW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22613 # 1mpxA.44.129 read from T0532.t2k.many.frag # found chain 1mpxA in template set Warning: unaligning (T0532)S51 (1mpxA)K159 because G (3-10) conformation "forbidden" or filtered. T0532 44 :GLLLDIT 1mpxA 152 :DTIDWLV T0532 52 :S 1mpxA 160 :N Number of specific fragments extracted= 2 number of extra gaps= 1 total=22615 # 1g3kA.44.58 read from T0532.t2k.many.frag # found chain 1g3kA in template set T0532 44 :GLLLDITSS 1g3kA 59 :LFERKLEMH Number of specific fragments extracted= 1 number of extra gaps= 0 total=22616 # 1g8kA.44.144 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 44 :GLLLDITSS 1g8kA 145 :GLIKKTLDK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22617 # 1es9A.44.28 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 44 :GLLLDITSS 1es9A 29 :RFVADSKDK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22618 # 1v8bA.44.112 read from T0532.t2k.many.frag # found chain 1v8bA in template set T0532 44 :GLLLDITSS 1v8bA 113 :CVESALTWG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22619 # 1gai.44.217 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 44 :GLLLDITSS 1gai 219 :QILCYLQSF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22620 # 2au5A.44.26 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 44 :GLLLDITSS 2au5A 24 :NMLAFTRGH Number of specific fragments extracted= 1 number of extra gaps= 0 total=22621 # 1yiiA.44.21 read from T0532.t2k.many.frag # found chain 1yiiA in training set T0532 44 :GLLLDITSS 1yiiA 23 :ALRKAMKGM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22622 # 2aalA.44.22 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 44 :GLLLDITSS 2aalA 22 :AAHGAMVDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22623 # 1e4cP.44.11 read from T0532.t2k.many.frag # found chain 1e4cP in training set Warning: unaligning (T0532)S52 (1e4cP)L20 because G (3-10) conformation "forbidden" or filtered. T0532 44 :GLLLDITS 1e4cP 12 :DTCLEMTR Number of specific fragments extracted= 1 number of extra gaps= 1 total=22624 # 1hz4A.44.38 read from T0532.t2k.many.frag # found chain 1hz4A in training set T0532 44 :GLLLDITSS 1hz4A 37 :LALEELPPG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22625 # 1mw5A.44.59 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 44 :GLLLDITSS 1mw5A 57 :KFAQALPAH Number of specific fragments extracted= 1 number of extra gaps= 0 total=22626 # 1dlwA.44.17 read from T0532.t2k.many.frag # found chain 1dlwA in training set T0532 44 :GLLLDITSS 1dlwA 18 :QFYANIQAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22627 # 1v74A.44.42 read from T0532.t2k.many.frag # found chain 1v74A in template set T0532 44 :GLLLDITSS 1v74A 633 :AIEEHLSDK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22628 # 1x3mA.44.78 read from T0532.t2k.many.frag # found chain 1x3mA in template set T0532 44 :GLLLDITSS 1x3mA 66 :AIAFELEKR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22629 # 1fjgK.44.66 read from T0532.t2k.many.frag # found chain 1fjgK in template set T0532 44 :GLLLDITSS 1fjgK 67 :DAAKKAMAY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22630 # 1u60A.45.13 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)I49 (1u60A)F18 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S52 (1u60A)L21 because P (beta_P) conformation "forbidden" or filtered. T0532 45 :LLLD 1u60A 14 :AYTQ T0532 50 :TS 1u60A 19 :HS T0532 53 :S 1u60A 22 :N Number of specific fragments extracted= 3 number of extra gaps= 2 total=22633 # 1b25A.45.221 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 45 :LLLDITSSS 1b25A 222 :AYNEILNSP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22634 # 1u9yA.45.68 read from T0532.t2k.many.frag # found chain 1u9yA in template set Warning: unaligning (T0532)S53 (1u9yA)G77 because T (delta_L) conformation "forbidden" or filtered. T0532 45 :LLLDITSS 1u9yA 69 :LCDALRDE Number of specific fragments extracted= 1 number of extra gaps= 1 total=22635 # 2absA.45.278 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)S51 (2absA)A265 because L (left) conformation "forbidden" or filtered. T0532 45 :LLLDIT 2absA 259 :ALRLLT T0532 52 :SS 2absA 266 :GQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22637 # 1bkrA.45.11 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)I49 (1bkrA)T16 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S51 (1bkrA)G18 because T (delta_L) conformation "forbidden" or filtered. T0532 45 :LLLD 1bkrA 12 :CQMK T0532 50 :T 1bkrA 17 :A T0532 52 :SS 1bkrA 19 :YP Number of specific fragments extracted= 3 number of extra gaps= 2 total=22640 # 1kkoA.45.290 read from T0532.t2k.many.frag # found chain 1kkoA in training set Warning: unaligning (T0532)S53 (1kkoA)G299 because L (left) conformation "forbidden" or filtered. T0532 45 :LLLDITSS 1kkoA 291 :ITKELTRL Number of specific fragments extracted= 1 number of extra gaps= 1 total=22641 # 2a6cA.45.22 read from T0532.t2k.many.frag # found chain 2a6cA in template set T0532 45 :LLLDITSSS 2a6cA 11 :LQEHLRNSG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22642 # 1ra6A.45.80 read from T0532.t2k.many.frag # found chain 1ra6A in template set T0532 45 :LLLDITSSS 1ra6A 81 :YAGQLMSLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22643 # 1urjA.45.710 read from T0532.t2k.many.frag # found chain 1urjA in template set T0532 45 :LLLDITSSS 1urjA 711 :LRRRVMDMF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22644 # 1k3xA.45.12 read from T0532.t2k.many.frag # found chain 1k3xA in training set Warning: unaligning (T0532)S51 (1k3xA)G19 because T (delta_L) conformation "forbidden" or filtered. T0532 45 :LLLDIT 1k3xA 13 :LEAAIK T0532 52 :SS 1k3xA 20 :KP Number of specific fragments extracted= 2 number of extra gaps= 1 total=22646 # 1g8kA.45.145 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 45 :LLLDITSSS 1g8kA 146 :LIKKTLDKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22647 # 1z53A.45.25 read from T0532.t2k.many.frag # found chain 1z53A in template set T0532 45 :LLLDITSSS 1z53A 26 :IALKLREDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22648 # 1v8bA.45.113 read from T0532.t2k.many.frag # found chain 1v8bA in template set T0532 45 :LLLDITSSS 1v8bA 114 :VESALTWGD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22649 # 1w5tA.45.37 read from T0532.t2k.many.frag # found chain 1w5tA in template set T0532 45 :LLLDITSSS 1w5tA 38 :YLNRLLSGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22650 # 1pinA.45.91 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)S52 (1pinA)G99 because T (delta_L) conformation "forbidden" or filtered. T0532 45 :LLLDITS 1pinA 92 :YIQKIKS T0532 53 :S 1pinA 100 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=22652 # 1yiiA.45.22 read from T0532.t2k.many.frag # found chain 1yiiA in training set Warning: unaligning (T0532)S51 (1yiiA)G30 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1yiiA)G32 because S (epsilon) conformation "forbidden" or filtered. T0532 45 :LLLDIT 1yiiA 24 :LRKAMK T0532 52 :S 1yiiA 31 :M Number of specific fragments extracted= 2 number of extra gaps= 2 total=22654 # 1es9A.45.29 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)S51 (1es9A)D36 because G (3-10) conformation "forbidden" or filtered. T0532 45 :LLLDIT 1es9A 30 :FVADSK T0532 52 :SS 1es9A 37 :KE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22656 # 1g3kA.45.59 read from T0532.t2k.many.frag # found chain 1g3kA in template set T0532 45 :LLLDITSSS 1g3kA 60 :FERKLEMHQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22657 # 1q0rA.45.83 read from T0532.t2k.many.frag # found chain 1q0rA in training set Warning: unaligning (T0532)S52 (1q0rA)W91 because G (3-10) conformation "forbidden" or filtered. T0532 45 :LLLDITS 1q0rA 84 :AVAVLDG T0532 53 :S 1q0rA 92 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=22659 # 1mpxA.45.130 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 45 :LLLDITSSS 1mpxA 153 :TIDWLVKNV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22660 # 1gai.45.218 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 45 :LLLDITSSS 1gai 220 :ILCYLQSFW Number of specific fragments extracted= 1 number of extra gaps= 0 total=22661 # 1e4cP.45.12 read from T0532.t2k.many.frag # found chain 1e4cP in training set Warning: unaligning (T0532)S52 (1e4cP)L20 because G (3-10) conformation "forbidden" or filtered. T0532 45 :LLLDITS 1e4cP 13 :TCLEMTR T0532 53 :S 1e4cP 21 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=22663 # 2au5A.45.27 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 45 :LLLDITSSS 2au5A 25 :MLAFTRGHF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22664 # 1xmtA.45.60 read from T0532.t2k.many.frag # found chain 1xmtA in training set T0532 45 :LLLDITSSS 1xmtA 61 :AFEHASSHS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22665 # 1mw5A.45.60 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 45 :LLLDITSSS 1mw5A 58 :FAQALPAHG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22666 1musA expands to /projects/compbio/data/pdb/1mus.pdb.gz 1musA:Skipped atom 1620, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 1622, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 1624, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 1626, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 1628, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 1676, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 1678, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3838, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3840, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3945, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3947, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3949, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3951, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3953, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3955, because occupancy 0.500 <= existing 0.500 in 1musA Skipped atom 3957, because occupancy 0.500 <= existing 0.500 in 1musA # 1musA.45.171 read from T0532.t2k.many.frag # adding 1musA to template set # found chain 1musA in template set Warning: unaligning (T0532)T50 (1musA)G177 because S (epsilon) conformation "forbidden" or filtered. T0532 45 :LLLDI 1musA 172 :SRLRM T0532 51 :SSS 1musA 178 :SMM Number of specific fragments extracted= 2 number of extra gaps= 1 total=22668 1ofuX expands to /projects/compbio/data/pdb/1ofu.pdb.gz 1ofuX:# 1ofuX.45.22 read from T0532.t2k.many.frag # adding 1ofuX to template set # found chain 1ofuX in template set Warning: unaligning (T0532)S52 (1ofuX)E72 because P (beta_P) conformation "forbidden" or filtered. T0532 45 :LLLDITS 1ofuX 65 :ILRELSE T0532 53 :S 1ofuX 73 :Q Number of specific fragments extracted= 2 number of extra gaps= 1 total=22670 # 1nwaA.45.37 read from T0532.t2k.many.frag # found chain 1nwaA in training set T0532 45 :LLLDITSSS 1nwaA 17 :LQDLIRNQP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22671 2bvcA expands to /projects/compbio/data/pdb/2bvc.pdb.gz 2bvcA:# 2bvcA.45.122 read from T0532.t2k.many.frag # adding 2bvcA to template set # found chain 2bvcA in template set T0532 45 :LLLDITSSS 2bvcA 115 :AENYLISTG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22672 # 1x3mA.45.79 read from T0532.t2k.many.frag # found chain 1x3mA in template set Warning: unaligning (T0532)S53 (1x3mA)D75 because L (left) conformation "forbidden" or filtered. T0532 45 :LLLDITSS 1x3mA 67 :IAFELEKR Number of specific fragments extracted= 1 number of extra gaps= 1 total=22673 # 1u9yA.46.69 read from T0532.t2k.many.frag # found chain 1u9yA in template set Warning: unaligning (T0532)S53 (1u9yA)G77 because T (delta_L) conformation "forbidden" or filtered. T0532 46 :LLDITSS 1u9yA 70 :CDALRDE T0532 54 :A 1u9yA 78 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=22675 # 2absA.46.279 read from T0532.t2k.many.frag # found chain 2absA in template set T0532 46 :LLDITSSSA 2absA 260 :LRLLTAGQN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22676 # 1u60A.46.14 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 46 :LLDITSSSA 1u60A 15 :YTQFHSLNG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22677 # 1b25A.46.222 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 46 :LLDITSSSA 1b25A 223 :YNEILNSPG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22678 # 1bkrA.46.12 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)S51 (1bkrA)G18 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. T0532 46 :LLDIT 1bkrA 13 :QMKTA T0532 52 :SS 1bkrA 19 :YP Number of specific fragments extracted= 2 number of extra gaps= 2 total=22680 # 1ra6A.46.81 read from T0532.t2k.many.frag # found chain 1ra6A in template set T0532 46 :LLDITSSSA 1ra6A 82 :AGQLMSLDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22681 # 1kkoA.46.291 read from T0532.t2k.many.frag # found chain 1kkoA in training set Warning: unaligning (T0532)S53 (1kkoA)G299 because L (left) conformation "forbidden" or filtered. T0532 46 :LLDITSS 1kkoA 292 :TKELTRL T0532 54 :A 1kkoA 300 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=22683 # 2a6cA.46.23 read from T0532.t2k.many.frag # found chain 2a6cA in template set Warning: unaligning (T0532)S53 (2a6cA)G19 because T (delta_L) conformation "forbidden" or filtered. T0532 46 :LLDITSS 2a6cA 12 :QEHLRNS T0532 54 :A 2a6cA 20 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=22685 # 1urjA.46.711 read from T0532.t2k.many.frag # found chain 1urjA in template set Warning: unaligning (T0532)S53 (1urjA)F719 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1urjA)N720 because L (left) conformation "forbidden" or filtered. T0532 46 :LLDITSS 1urjA 712 :RRRVMDM Number of specific fragments extracted= 1 number of extra gaps= 1 total=22686 # 1k3xA.46.13 read from T0532.t2k.many.frag # found chain 1k3xA in training set T0532 46 :LLDITSSSA 1k3xA 14 :EAAIKGKPL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22687 # 1v8bA.46.114 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)S53 (1v8bA)D122 because Y (epsilon') conformation "forbidden" or filtered. T0532 46 :LLDITSS 1v8bA 115 :ESALTWG T0532 54 :A 1v8bA 123 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=22689 # 1pinA.46.92 read from T0532.t2k.many.frag # found chain 1pinA in training set T0532 46 :LLDITSSSA 1pinA 93 :IQKIKSGEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22690 # 1g8kA.46.146 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 46 :LLDITSSSA 1g8kA 147 :IKKTLDKDG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22691 # 1w5tA.46.38 read from T0532.t2k.many.frag # found chain 1w5tA in template set Warning: unaligning (T0532)A54 (1w5tA)G47 because S (epsilon) conformation "forbidden" or filtered. T0532 46 :LLDITSSS 1w5tA 39 :LNRLLSGA Number of specific fragments extracted= 1 number of extra gaps= 1 total=22692 # 1yiiA.46.23 read from T0532.t2k.many.frag # found chain 1yiiA in training set Warning: unaligning (T0532)S52 (1yiiA)M31 because P (beta_P) conformation "forbidden" or filtered. T0532 46 :LLDITS 1yiiA 25 :RKAMKG T0532 53 :SA 1yiiA 32 :GT Number of specific fragments extracted= 2 number of extra gaps= 1 total=22694 # 1es9A.46.30 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 46 :LLDITSSSA 1es9A 31 :VADSKDKEP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22695 # 1g3kA.46.60 read from T0532.t2k.many.frag # found chain 1g3kA in template set T0532 46 :LLDITSSSA 1g3kA 61 :ERKLEMHQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22696 # 1xmtA.46.61 read from T0532.t2k.many.frag # found chain 1xmtA in training set Warning: unaligning (T0532)S53 (1xmtA)S69 because L (left) conformation "forbidden" or filtered. T0532 46 :LLDITSS 1xmtA 62 :FEHASSH T0532 54 :A 1xmtA 70 :I Number of specific fragments extracted= 2 number of extra gaps= 1 total=22698 # 1nwaA.46.38 read from T0532.t2k.many.frag # found chain 1nwaA in training set T0532 46 :LLDITSSSA 1nwaA 18 :QDLIRNQPG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22699 # 1ofuX.46.23 read from T0532.t2k.many.frag # found chain 1ofuX in template set T0532 46 :LLDITSSSA 1ofuX 66 :LRELSEEQD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22700 # 1mpxA.46.131 read from T0532.t2k.many.frag # found chain 1mpxA in template set T0532 46 :LLDITSSSA 1mpxA 154 :IDWLVKNVS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22701 # 1mw5A.46.61 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)S52 (1mw5A)H65 because P (beta_P) conformation "forbidden" or filtered. T0532 46 :LLDITS 1mw5A 59 :AQALPA T0532 53 :SA 1mw5A 66 :GS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22703 # 1q0rA.46.84 read from T0532.t2k.many.frag # found chain 1q0rA in training set T0532 46 :LLDITSSSA 1q0rA 85 :VAVLDGWGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22704 # 1h4xA.46.33 read from T0532.t2k.many.frag # found chain 1h4xA in training set Warning: unaligning (T0532)S52 (1h4xA)G40 because T (delta_L) conformation "forbidden" or filtered. T0532 46 :LLDITS 1h4xA 34 :STAIFQ T0532 53 :SA 1h4xA 41 :AV Number of specific fragments extracted= 2 number of extra gaps= 1 total=22706 # 1gai.46.219 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 46 :LLDITSSSA 1gai 221 :LCYLQSFWT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22707 # 2au5A.46.28 read from T0532.t2k.many.frag # found chain 2au5A in template set T0532 46 :LLDITSSSA 2au5A 26 :LAFTRGHFT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22708 # 1uxoA.46.79 read from T0532.t2k.many.frag # found chain 1uxoA in training set T0532 46 :LLDITSSSA 1uxoA 78 :LRFLEHLQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22709 # 1e4cP.46.13 read from T0532.t2k.many.frag # found chain 1e4cP in training set T0532 46 :LLDITSSSA 1e4cP 14 :CLEMTRLGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22710 # 1koe.46.27 read from T0532.t2k.many.frag # found chain 1koe in training set Warning: unaligning (T0532)S53 (1koe)G172 because T (delta_L) conformation "forbidden" or filtered. T0532 46 :LLDITSS 1koe 165 :FQQARAV T0532 54 :A 1koe 173 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=22712 # 1x3mA.46.80 read from T0532.t2k.many.frag # found chain 1x3mA in template set Warning: unaligning (T0532)S53 (1x3mA)D75 because L (left) conformation "forbidden" or filtered. T0532 46 :LLDITSS 1x3mA 68 :AFELEKR T0532 54 :A 1x3mA 76 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=22714 # 2absA.47.280 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)S51 (2absA)A265 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S52 (2absA)G266 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (2absA)N268 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (2absA)T269 because Y (epsilon') conformation "forbidden" or filtered. T0532 47 :LDIT 2absA 261 :RLLT T0532 53 :S 2absA 267 :Q Number of specific fragments extracted= 2 number of extra gaps= 2 total=22716 # 1u9yA.47.70 read from T0532.t2k.many.frag # found chain 1u9yA in template set Warning: unaligning (T0532)S52 (1u9yA)E76 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1u9yA)V78 because P (beta_P) conformation "forbidden" or filtered. T0532 47 :LDITS 1u9yA 71 :DALRD T0532 53 :S 1u9yA 77 :G T0532 55 :S 1u9yA 79 :K Number of specific fragments extracted= 3 number of extra gaps= 2 total=22719 # 1u60A.47.15 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)I49 (1u60A)F18 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1u60A)G23 because S (epsilon) conformation "forbidden" or filtered. T0532 47 :LD 1u60A 16 :TQ T0532 50 :TSSS 1u60A 19 :HSLN T0532 55 :S 1u60A 24 :G Number of specific fragments extracted= 3 number of extra gaps= 2 total=22722 # 1v8bA.47.115 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)S53 (1v8bA)D122 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1v8bA)D124 because P (beta_P) conformation "forbidden" or filtered. T0532 47 :LDITSS 1v8bA 116 :SALTWG T0532 54 :A 1v8bA 123 :G Number of specific fragments extracted= 2 number of extra gaps= 2 total=22724 # 1ra6A.47.82 read from T0532.t2k.many.frag # found chain 1ra6A in template set Warning: unaligning (T0532)S53 (1ra6A)D89 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1ra6A)N91 because P (beta_P) conformation "forbidden" or filtered. T0532 47 :LDITSS 1ra6A 83 :GQLMSL T0532 54 :A 1ra6A 90 :I Number of specific fragments extracted= 2 number of extra gaps= 2 total=22726 # 1bkrA.47.13 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)S51 (1bkrA)G18 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. T0532 47 :LDIT 1bkrA 14 :MKTA T0532 52 :SS 1bkrA 19 :YP T0532 55 :S 1bkrA 22 :V Number of specific fragments extracted= 3 number of extra gaps= 2 total=22729 # 1urjA.47.712 read from T0532.t2k.many.frag # found chain 1urjA in template set Warning: unaligning (T0532)A54 (1urjA)N720 because L (left) conformation "forbidden" or filtered. T0532 47 :LDITSSS 1urjA 713 :RRVMDMF T0532 55 :S 1urjA 721 :N Number of specific fragments extracted= 2 number of extra gaps= 1 total=22731 # 1k3xA.47.14 read from T0532.t2k.many.frag # found chain 1k3xA in training set Warning: unaligning (T0532)S52 (1k3xA)K20 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1k3xA)L22 because P (beta_P) conformation "forbidden" or filtered. T0532 47 :LDITS 1k3xA 15 :AAIKG T0532 53 :S 1k3xA 21 :P T0532 55 :S 1k3xA 23 :T Number of specific fragments extracted= 3 number of extra gaps= 2 total=22734 # 2a6cA.47.24 read from T0532.t2k.many.frag # found chain 2a6cA in template set Warning: unaligning (T0532)S53 (2a6cA)G19 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (2a6cA)L20 because P (beta_P) conformation "forbidden" or filtered. T0532 47 :LDITSS 2a6cA 13 :EHLRNS T0532 55 :S 2a6cA 21 :T Number of specific fragments extracted= 2 number of extra gaps= 1 total=22736 # 1pinA.47.93 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)S52 (1pinA)G99 because T (delta_L) conformation "forbidden" or filtered. T0532 47 :LDITS 1pinA 94 :QKIKS T0532 53 :SAS 1pinA 100 :EED Number of specific fragments extracted= 2 number of extra gaps= 1 total=22738 # 1nwaA.47.39 read from T0532.t2k.many.frag # found chain 1nwaA in training set T0532 47 :LDITSSSAS 1nwaA 19 :DLIRNQPGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22739 # 1xmtA.47.62 read from T0532.t2k.many.frag # found chain 1xmtA in training set Warning: unaligning (T0532)A54 (1xmtA)I70 because P (beta_P) conformation "forbidden" or filtered. T0532 47 :LDITSSS 1xmtA 63 :EHASSHS T0532 55 :S 1xmtA 71 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=22741 # 1g3kA.47.61 read from T0532.t2k.many.frag # found chain 1g3kA in template set Warning: unaligning (T0532)S53 (1g3kA)Q68 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1g3kA)G69 because T (delta_L) conformation "forbidden" or filtered. T0532 47 :LDITSS 1g3kA 62 :RKLEMH T0532 55 :S 1g3kA 70 :H Number of specific fragments extracted= 2 number of extra gaps= 1 total=22743 # 1g8kA.47.147 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 47 :LDITSSSAS 1g8kA 148 :KKTLDKDGP Number of specific fragments extracted= 1 number of extra gaps= 0 total=22744 # 1es9A.47.31 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 47 :LDITSSSAS 1es9A 32 :ADSKDKEPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22745 # 1uxoA.47.80 read from T0532.t2k.many.frag # found chain 1uxoA in training set T0532 47 :LDITSSSAS 1uxoA 79 :RFLEHLQLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22746 # 1kkoA.47.292 read from T0532.t2k.many.frag # found chain 1kkoA in training set Warning: unaligning (T0532)S53 (1kkoA)G299 because L (left) conformation "forbidden" or filtered. T0532 47 :LDITSS 1kkoA 293 :KELTRL T0532 54 :AS 1kkoA 300 :SG Number of specific fragments extracted= 2 number of extra gaps= 1 total=22748 # 1koe.47.28 read from T0532.t2k.many.frag # found chain 1koe in training set T0532 47 :LDITSSSAS 1koe 166 :QQARAVGLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22749 # 1h4xA.47.34 read from T0532.t2k.many.frag # found chain 1h4xA in training set Warning: unaligning (T0532)S52 (1h4xA)G40 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1h4xA)T43 because G (3-10) conformation "forbidden" or filtered. T0532 47 :LDITS 1h4xA 35 :TAIFQ T0532 53 :SA 1h4xA 41 :AV Number of specific fragments extracted= 2 number of extra gaps= 2 total=22751 # 1ofuX.47.24 read from T0532.t2k.many.frag # found chain 1ofuX in template set T0532 47 :LDITSSSAS 1ofuX 67 :RELSEEQDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22752 # 1mw5A.47.62 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 47 :LDITSSSAS 1mw5A 60 :QALPAHGSA Number of specific fragments extracted= 1 number of extra gaps= 0 total=22753 # 1b25A.47.223 read from T0532.t2k.many.frag # found chain 1b25A in template set T0532 47 :LDITSSSAS 1b25A 224 :NEILNSPGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22754 # 2au5A.47.29 read from T0532.t2k.many.frag # found chain 2au5A in template set Warning: unaligning (T0532)S55 (2au5A)G35 because T (delta_L) conformation "forbidden" or filtered. T0532 47 :LDITSSSA 2au5A 27 :AFTRGHFT Number of specific fragments extracted= 1 number of extra gaps= 1 total=22755 # 1h1nA.47.150 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)S53 (1h1nA)G157 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1h1nA)T159 because G (3-10) conformation "forbidden" or filtered. T0532 47 :LDITSS 1h1nA 151 :DGIRSA T0532 54 :A 1h1nA 158 :A Number of specific fragments extracted= 2 number of extra gaps= 2 total=22757 # 1yiiA.47.24 read from T0532.t2k.many.frag # found chain 1yiiA in training set Warning: unaligning (T0532)S51 (1yiiA)G30 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1yiiA)T33 because E (beta_S) conformation "forbidden" or filtered. T0532 47 :LDIT 1yiiA 26 :KAMK T0532 52 :SS 1yiiA 31 :MG T0532 55 :S 1yiiA 34 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=22760 # 1q0rA.47.85 read from T0532.t2k.many.frag # found chain 1q0rA in training set Warning: unaligning (T0532)S53 (1q0rA)G92 because L (left) conformation "forbidden" or filtered. T0532 47 :LDITSS 1q0rA 86 :AVLDGW T0532 54 :AS 1q0rA 93 :VD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22762 # 1w5tA.47.39 read from T0532.t2k.many.frag # found chain 1w5tA in template set Warning: unaligning (T0532)S52 (1w5tA)G45 because T (delta_L) conformation "forbidden" or filtered. T0532 47 :LDITS 1w5tA 40 :NRLLS T0532 53 :SAS 1w5tA 46 :AGL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22764 # 1gai.47.220 read from T0532.t2k.many.frag # found chain 1gai in training set T0532 47 :LDITSSSAS 1gai 222 :CYLQSFWTG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22765 # 1vhh.47.78 read from T0532.t2k.many.frag # found chain 1vhh in training set T0532 47 :LDITSSSAS 1vhh 112 :ISVMNQWPG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22766 # 1j3aA.47.19 read from T0532.t2k.many.frag # found chain 1j3aA in training set T0532 47 :LDITSSSAS 1j3aA 20 :KMLLEGEEV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22767 # 2absA.48.281 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)S51 (2absA)A265 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 T0532 48 :DIT 2absA 262 :LLT T0532 52 :SSAS 2absA 266 :GQNT Number of specific fragments extracted= 2 number of extra gaps= 2 total=22769 # 1u9yA.48.71 read from T0532.t2k.many.frag # found chain 1u9yA in template set T0532 48 :DITSSSASK 1u9yA 72 :ALRDEGVKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22770 # 1uxoA.48.81 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. T0532 48 :DITSSSAS 1uxoA 80 :FLEHLQLR Number of specific fragments extracted= 1 number of extra gaps= 1 total=22771 # 1xmtA.48.63 read from T0532.t2k.many.frag # found chain 1xmtA in training set Warning: unaligning (T0532)A54 (1xmtA)I70 because P (beta_P) conformation "forbidden" or filtered. T0532 48 :DITSSS 1xmtA 64 :HASSHS T0532 55 :SK 1xmtA 71 :SI Number of specific fragments extracted= 2 number of extra gaps= 1 total=22773 # 1nwaA.48.40 read from T0532.t2k.many.frag # found chain 1nwaA in training set Warning: unaligning (T0532)A54 (1nwaA)G26 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSSS 1nwaA 20 :LIRNQP T0532 55 :SK 1nwaA 27 :VV Number of specific fragments extracted= 2 number of extra gaps= 1 total=22775 # 1ra6A.48.83 read from T0532.t2k.many.frag # found chain 1ra6A in template set Warning: unaligning (T0532)S53 (1ra6A)D89 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1ra6A)N91 because P (beta_P) conformation "forbidden" or filtered. T0532 48 :DITSS 1ra6A 84 :QLMSL T0532 54 :A 1ra6A 90 :I T0532 56 :K 1ra6A 92 :T Number of specific fragments extracted= 3 number of extra gaps= 2 total=22778 # 1urjA.48.713 read from T0532.t2k.many.frag # found chain 1urjA in template set Warning: unaligning (T0532)A54 (1urjA)N720 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1urjA)N721 because G (3-10) conformation "forbidden" or filtered. T0532 48 :DITSSS 1urjA 714 :RVMDMF T0532 56 :K 1urjA 722 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=22780 # 1v8bA.48.116 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)A54 (1v8bA)G123 because S (epsilon) conformation "forbidden" or filtered. T0532 48 :DITSSS 1v8bA 117 :ALTWGD T0532 55 :SK 1v8bA 124 :DD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22782 # 1u60A.48.16 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)S55 (1u60A)G24 because S (epsilon) conformation "forbidden" or filtered. T0532 48 :DITSSSA 1u60A 17 :QFHSLNG T0532 56 :K 1u60A 25 :Q Number of specific fragments extracted= 2 number of extra gaps= 1 total=22784 # 1g3kA.48.62 read from T0532.t2k.many.frag # found chain 1g3kA in template set Warning: unaligning (T0532)S53 (1g3kA)Q68 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1g3kA)G69 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSS 1g3kA 63 :KLEMH T0532 55 :SK 1g3kA 70 :HL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22786 # 1es9A.48.32 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 48 :DITSSSASK 1es9A 33 :DSKDKEPEV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22787 # 1bkrA.48.14 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. T0532 48 :DITSSS 1bkrA 15 :KTAGYP T0532 55 :SK 1bkrA 22 :VN Number of specific fragments extracted= 2 number of extra gaps= 1 total=22789 # 1koe.48.29 read from T0532.t2k.many.frag # found chain 1koe in training set Warning: unaligning (T0532)S53 (1koe)G172 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSS 1koe 167 :QARAV T0532 54 :ASK 1koe 173 :LSG Number of specific fragments extracted= 2 number of extra gaps= 1 total=22791 # 1mw5A.48.63 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)A54 (1mw5A)S67 because Y (epsilon') conformation "forbidden" or filtered. T0532 48 :DITSSS 1mw5A 61 :ALPAHG T0532 55 :SK 1mw5A 68 :AS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22793 # 1h4xA.48.35 read from T0532.t2k.many.frag # found chain 1h4xA in training set T0532 48 :DITSSSASK 1h4xA 36 :AIFQGAVTT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22794 # 1h1nA.48.151 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)A54 (1h1nA)A158 because N (gamma') conformation "forbidden" or filtered. T0532 48 :DITSSS 1h1nA 152 :GIRSAG T0532 55 :SK 1h1nA 159 :TS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22796 # 1g8kA.48.148 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)S53 (1g8kA)D154 because G (3-10) conformation "forbidden" or filtered. T0532 48 :DITSS 1g8kA 149 :KTLDK T0532 54 :ASK 1g8kA 155 :GPQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22798 # 1pinA.48.94 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)S52 (1pinA)G99 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITS 1pinA 95 :KIKS T0532 53 :SASK 1pinA 100 :EEDF Number of specific fragments extracted= 2 number of extra gaps= 1 total=22800 # 2au5A.48.30 read from T0532.t2k.many.frag # found chain 2au5A in template set Warning: unaligning (T0532)S55 (2au5A)G35 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSSSA 2au5A 28 :FTRGHFT T0532 56 :K 2au5A 36 :D Number of specific fragments extracted= 2 number of extra gaps= 1 total=22802 # 1ofuX.48.25 read from T0532.t2k.many.frag # found chain 1ofuX in template set Warning: unaligning (T0532)S51 (1ofuX)E71 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1ofuX)R76 because Y (epsilon') conformation "forbidden" or filtered. T0532 48 :DIT 1ofuX 68 :ELS T0532 52 :SSAS 1ofuX 72 :EQDA Number of specific fragments extracted= 2 number of extra gaps= 2 total=22804 # 1k3xA.48.15 read from T0532.t2k.many.frag # found chain 1k3xA in training set Warning: unaligning (T0532)A54 (1k3xA)L22 because P (beta_P) conformation "forbidden" or filtered. T0532 48 :DITSSS 1k3xA 16 :AIKGKP T0532 55 :SK 1k3xA 23 :TD Number of specific fragments extracted= 2 number of extra gaps= 1 total=22806 # 1gs9A.48.35 read from T0532.t2k.many.frag # found chain 1gs9A in training set Warning: unaligning (T0532)S55 (1gs9A)L43 because L (left) conformation "forbidden" or filtered. T0532 48 :DITSSSA 1gs9A 36 :YLRWVQT T0532 56 :K 1gs9A 44 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=22808 # 1vhh.48.79 read from T0532.t2k.many.frag # found chain 1vhh in training set Warning: unaligning (T0532)S55 (1vhh)G120 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSSSA 1vhh 113 :SVMNQWP T0532 56 :K 1vhh 121 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=22810 # 2a6cA.48.25 read from T0532.t2k.many.frag # found chain 2a6cA in template set Warning: unaligning (T0532)S53 (2a6cA)G19 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSS 2a6cA 14 :HLRNS T0532 54 :ASK 2a6cA 20 :LTQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22812 # 1fk5A.48.55 read from T0532.t2k.many.frag # found chain 1fk5A in training set Warning: unaligning (T0532)S51 (1fk5A)G59 because G (3-10) conformation "forbidden" or filtered. T0532 48 :DIT 1fk5A 56 :AAA T0532 52 :SSASK 1fk5A 60 :VSGLN Number of specific fragments extracted= 2 number of extra gaps= 1 total=22814 # 1gai.48.221 read from T0532.t2k.many.frag # found chain 1gai in training set Warning: unaligning (T0532)S55 (1gai)G230 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSSSA 1gai 223 :YLQSFWT T0532 56 :K 1gai 231 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=22816 1nekA expands to /projects/compbio/data/pdb/1nek.pdb.gz 1nekA:# 1nekA.48.295 read from T0532.t2k.many.frag # adding 1nekA to template set # found chain 1nekA in template set Warning: unaligning (T0532)S51 (1nekA)E299 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. T0532 48 :DIT 1nekA 296 :EIR T0532 52 :SSAS 1nekA 300 :GRGC Number of specific fragments extracted= 2 number of extra gaps= 2 total=22818 # 1j3aA.48.20 read from T0532.t2k.many.frag # found chain 1j3aA in training set Warning: unaligning (T0532)K56 (1j3aA)V29 because E (beta_S) conformation "forbidden" or filtered. T0532 48 :DITSSSAS 1j3aA 21 :MLLEGEEV Number of specific fragments extracted= 1 number of extra gaps= 1 total=22819 2akaA expands to /projects/compbio/data/pdb/2aka.pdb.gz 2akaA:Skipped atom 968, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 970, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 972, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1767, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1769, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1771, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1773, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1867, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1869, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1871, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1873, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1875, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1877, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1879, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1915, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 1917, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2071, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2073, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2436, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2438, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2440, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2442, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2444, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2503, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2505, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2507, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2509, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2511, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2590, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2592, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2651, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2653, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2655, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2657, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2659, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2661, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 2663, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 3314, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 3316, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 3972, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 3974, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 3976, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 3978, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 3980, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4359, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4361, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4363, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4365, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4704, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4706, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4708, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4710, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4712, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4748, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4750, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4752, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4754, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4756, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4820, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4822, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4824, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4826, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4828, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4893, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4895, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4897, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4899, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4947, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4949, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 4951, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5547, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5549, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5551, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5553, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5555, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5557, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5559, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5926, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5928, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5930, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 5932, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 6155, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 6157, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 6159, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 6161, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 6163, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 6165, because occupancy 0.500 <= existing 0.500 in 2akaA Skipped atom 6167, because occupancy 0.500 <= existing 0.500 in 2akaA # 2akaA.48.209 read from T0532.t2k.many.frag # adding 2akaA to template set # found chain 2akaA in template set Warning: unaligning (T0532)A54 (2akaA)A205 because T (delta_L) conformation "forbidden" or filtered. T0532 48 :DITSSS 2akaA 199 :VAGRNQ T0532 55 :SK 2akaA 206 :NG Number of specific fragments extracted= 2 number of extra gaps= 1 total=22821 # 1x3mA.48.82 read from T0532.t2k.many.frag # found chain 1x3mA in template set T0532 48 :DITSSSASK 1x3mA 70 :ELEKRDLTD Number of specific fragments extracted= 1 number of extra gaps= 0 total=22822 # 2absA.49.282 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)S52 (2absA)G266 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (2absA)T269 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 49 :ITS 2absA 263 :LTA T0532 53 :SA 2absA 267 :QN Number of specific fragments extracted= 2 number of extra gaps= 2 total=22824 # 1nwaA.49.41 read from T0532.t2k.many.frag # found chain 1nwaA in training set Warning: unaligning (T0532)S53 (1nwaA)P25 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1nwaA)G26 because T (delta_L) conformation "forbidden" or filtered. T0532 49 :ITSS 1nwaA 21 :IRNQ T0532 55 :SKS 1nwaA 27 :VVS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22826 # 1u9yA.49.72 read from T0532.t2k.many.frag # found chain 1u9yA in template set Warning: unaligning (T0532)S53 (1u9yA)G77 because T (delta_L) conformation "forbidden" or filtered. T0532 49 :ITSS 1u9yA 73 :LRDE T0532 54 :ASKS 1u9yA 78 :VKKI Number of specific fragments extracted= 2 number of extra gaps= 1 total=22828 # 1uxoA.49.82 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. T0532 49 :ITSSSAS 1uxoA 81 :LEHLQLR T0532 57 :S 1uxoA 89 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=22830 # 1xmtA.49.64 read from T0532.t2k.many.frag # found chain 1xmtA in training set Warning: unaligning (T0532)S53 (1xmtA)S69 because L (left) conformation "forbidden" or filtered. T0532 49 :ITSS 1xmtA 65 :ASSH T0532 54 :ASKS 1xmtA 70 :ISII Number of specific fragments extracted= 2 number of extra gaps= 1 total=22832 # 1u60A.49.17 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 T0532 49 :ITSSSASK 1u60A 18 :FHSLNGGQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=22833 # 1g3kA.49.63 read from T0532.t2k.many.frag # found chain 1g3kA in template set Warning: unaligning (T0532)A54 (1g3kA)G69 because T (delta_L) conformation "forbidden" or filtered. T0532 49 :ITSSS 1g3kA 64 :LEMHQ T0532 55 :SKS 1g3kA 70 :HLL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22835 # 1urjA.49.714 read from T0532.t2k.many.frag # found chain 1urjA in template set Warning: unaligning (T0532)A54 (1urjA)N720 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1urjA)G722 because T (delta_L) conformation "forbidden" or filtered. T0532 49 :ITSSS 1urjA 715 :VMDMF T0532 55 :S 1urjA 721 :N T0532 57 :S 1urjA 723 :F Number of specific fragments extracted= 3 number of extra gaps= 2 total=22838 # 1h1nA.49.152 read from T0532.t2k.many.frag # found chain 1h1nA in training set T0532 49 :ITSSSASKS 1h1nA 153 :IRSAGATSQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=22839 # 1mw5A.49.64 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)S51 (1mw5A)A64 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1mw5A)S67 because Y (epsilon') conformation "forbidden" or filtered. T0532 49 :IT 1mw5A 62 :LP T0532 52 :SS 1mw5A 65 :HG T0532 55 :SKS 1mw5A 68 :ASW Number of specific fragments extracted= 3 number of extra gaps= 2 total=22842 # 1ra6A.49.84 read from T0532.t2k.many.frag # found chain 1ra6A in template set T0532 49 :ITSSSASKS 1ra6A 85 :LMSLDINTE Number of specific fragments extracted= 1 number of extra gaps= 0 total=22843 # 1v8bA.49.117 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)S52 (1v8bA)G121 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1v8bA)D122 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1v8bA)G123 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1v8bA)D125 because L (left) conformation "forbidden" or filtered. T0532 49 :ITS 1v8bA 118 :LTW T0532 55 :S 1v8bA 124 :D T0532 57 :S 1v8bA 126 :N Number of specific fragments extracted= 3 number of extra gaps= 2 total=22846 # 1bkrA.49.15 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. T0532 49 :ITSSS 1bkrA 16 :TAGYP T0532 55 :SKS 1bkrA 22 :VNI Number of specific fragments extracted= 2 number of extra gaps= 1 total=22848 # 1fk5A.49.56 read from T0532.t2k.many.frag # found chain 1fk5A in training set Warning: unaligning (T0532)A54 (1fk5A)G62 because L (left) conformation "forbidden" or filtered. T0532 49 :ITSSS 1fk5A 57 :AAGVS T0532 55 :SKS 1fk5A 63 :LNA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22850 # 1h4xA.49.36 read from T0532.t2k.many.frag # found chain 1h4xA in training set Warning: unaligning (T0532)S52 (1h4xA)G40 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1h4xA)V42 because E (beta_S) conformation "forbidden" or filtered. T0532 49 :ITS 1h4xA 37 :IFQ T0532 53 :S 1h4xA 41 :A T0532 55 :SKS 1h4xA 43 :TTI Number of specific fragments extracted= 3 number of extra gaps= 2 total=22853 # 1es9A.49.33 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)A54 (1es9A)P39 because P (beta_P) conformation "forbidden" or filtered. T0532 49 :ITSSS 1es9A 34 :SKDKE T0532 55 :SKS 1es9A 40 :EVV Number of specific fragments extracted= 2 number of extra gaps= 1 total=22855 # 1koe.49.30 read from T0532.t2k.many.frag # found chain 1koe in training set Warning: unaligning (T0532)S53 (1koe)G172 because T (delta_L) conformation "forbidden" or filtered. T0532 49 :ITSS 1koe 168 :ARAV T0532 54 :ASKS 1koe 173 :LSGT Number of specific fragments extracted= 2 number of extra gaps= 1 total=22857 # 1vhh.49.80 read from T0532.t2k.many.frag # found chain 1vhh in training set T0532 49 :ITSSSASKS 1vhh 114 :VMNQWPGVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22858 # 1nekA.49.296 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. T0532 49 :ITSSSAS 1nekA 297 :IREGRGC Number of specific fragments extracted= 1 number of extra gaps= 1 total=22859 # 1gs9A.49.36 read from T0532.t2k.many.frag # found chain 1gs9A in training set Warning: unaligning (T0532)S55 (1gs9A)L43 because L (left) conformation "forbidden" or filtered. T0532 49 :ITSSSA 1gs9A 37 :LRWVQT T0532 56 :KS 1gs9A 44 :SE Number of specific fragments extracted= 2 number of extra gaps= 1 total=22861 # 1vjoA.49.75 read from T0532.t2k.many.frag # found chain 1vjoA in training set T0532 49 :ITSSSASKS 1vjoA 64 :LRYVWQTEN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22862 # 1ofuX.49.26 read from T0532.t2k.many.frag # found chain 1ofuX in template set Warning: unaligning (T0532)S51 (1ofuX)E71 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1ofuX)R76 because Y (epsilon') conformation "forbidden" or filtered. T0532 49 :IT 1ofuX 69 :LS T0532 52 :SSAS 1ofuX 72 :EQDA T0532 57 :S 1ofuX 77 :W Number of specific fragments extracted= 3 number of extra gaps= 2 total=22865 # 1tqhA.49.79 read from T0532.t2k.many.frag # found chain 1tqhA in training set Warning: unaligning (T0532)S53 (1tqhA)G84 because T (delta_L) conformation "forbidden" or filtered. T0532 49 :ITSS 1tqhA 80 :LKNK T0532 54 :ASKS 1tqhA 85 :YEKI Number of specific fragments extracted= 2 number of extra gaps= 1 total=22867 2a2cA expands to /projects/compbio/data/pdb/2a2c.pdb.gz 2a2cA:Skipped atom 190, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 192, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 194, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 196, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 364, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 366, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 368, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 370, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 470, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 472, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 474, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 476, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 981, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 983, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1546, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1548, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1550, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1552, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1704, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1751, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1753, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1755, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1757, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1881, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1883, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1885, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1887, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1889, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1891, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 1893, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 2325, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 2327, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 2329, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 2331, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 2333, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 2335, because occupancy 0.500 <= existing 0.500 in 2a2cA Skipped atom 2337, because occupancy 0.500 <= existing 0.500 in 2a2cA # 2a2cA.49.137 read from T0532.t2k.many.frag # adding 2a2cA to template set # found chain 2a2cA in template set Warning: unaligning (T0532)S57 (2a2cA)N126 because P (beta_P) conformation "forbidden" or filtered. T0532 49 :ITSSSASK 2a2cA 118 :IQEHFGLS Number of specific fragments extracted= 1 number of extra gaps= 1 total=22868 1m48A expands to /projects/compbio/data/pdb/1m48.pdb.gz 1m48A:# 1m48A.49.24 read from T0532.t2k.many.frag # adding 1m48A to template set # found chain 1m48A in template set T0532 49 :ITSSSASKS 1m48A 25 :LNGINNYKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22869 # 1gai.49.222 read from T0532.t2k.many.frag # found chain 1gai in training set Warning: unaligning (T0532)S57 (1gai)Y232 because Y (epsilon') conformation "forbidden" or filtered. T0532 49 :ITSSSASK 1gai 224 :LQSFWTGS Number of specific fragments extracted= 1 number of extra gaps= 1 total=22870 # 2akaA.49.210 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)S51 (2akaA)R202 because D (zeta) conformation "forbidden" or filtered. T0532 49 :IT 2akaA 200 :AG T0532 52 :SSASKS 2akaA 203 :NQANGS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22872 # 2bptA.49.415 read from T0532.t2k.many.frag # found chain 2bptA in template set T0532 49 :ITSSSASKS 2bptA 416 :ILNLMNDQS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22873 # 1e4cP.49.16 read from T0532.t2k.many.frag # found chain 1e4cP in training set T0532 49 :ITSSSASKS 1e4cP 17 :MTRLGLNQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22874 # 1x3mA.49.83 read from T0532.t2k.many.frag # found chain 1x3mA in template set Warning: unaligning (T0532)S53 (1x3mA)D75 because L (left) conformation "forbidden" or filtered. T0532 49 :ITSS 1x3mA 71 :LEKR T0532 54 :ASKS 1x3mA 76 :LTDS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22876 # 2absA.50.283 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)T50 (2absA)T264 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S52 (2absA)G266 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (2absA)T269 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 51 :S 2absA 265 :A T0532 53 :SA 2absA 267 :QN T0532 58 :F 2absA 272 :T Number of specific fragments extracted= 3 number of extra gaps= 3 total=22879 # 1nwaA.50.42 read from T0532.t2k.many.frag # found chain 1nwaA in training set T0532 50 :TSSSASKSF 1nwaA 22 :RNQPGVVST Number of specific fragments extracted= 1 number of extra gaps= 0 total=22880 # 1uxoA.50.83 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. T0532 50 :TSSSAS 1uxoA 82 :EHLQLR T0532 57 :SF 1uxoA 89 :AL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22882 # 1u9yA.50.73 read from T0532.t2k.many.frag # found chain 1u9yA in template set T0532 50 :TSSSASKSF 1u9yA 74 :RDEGVKKIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=22883 # 1xmtA.50.65 read from T0532.t2k.many.frag # found chain 1xmtA in training set Warning: unaligning (T0532)A54 (1xmtA)I70 because P (beta_P) conformation "forbidden" or filtered. T0532 50 :TSSS 1xmtA 66 :SSHS T0532 55 :SKSF 1xmtA 71 :SIIP Number of specific fragments extracted= 2 number of extra gaps= 1 total=22885 # 1fk5A.50.57 read from T0532.t2k.many.frag # found chain 1fk5A in training set Warning: unaligning (T0532)S55 (1fk5A)L63 because P (beta_P) conformation "forbidden" or filtered. T0532 50 :TSSSA 1fk5A 58 :AGVSG T0532 56 :KSF 1fk5A 64 :NAG Number of specific fragments extracted= 2 number of extra gaps= 1 total=22887 # 1bkrA.50.16 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. T0532 50 :TSSS 1bkrA 17 :AGYP T0532 55 :SKSF 1bkrA 22 :VNIH Number of specific fragments extracted= 2 number of extra gaps= 1 total=22889 # 1mw5A.50.65 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)A54 (1mw5A)S67 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1mw5A)S69 because P (beta_P) conformation "forbidden" or filtered. T0532 50 :TSSS 1mw5A 63 :PAHG T0532 55 :S 1mw5A 68 :A T0532 57 :SF 1mw5A 70 :WL Number of specific fragments extracted= 3 number of extra gaps= 2 total=22892 # 1g3kA.50.64 read from T0532.t2k.many.frag # found chain 1g3kA in template set T0532 50 :TSSSASKSF 1g3kA 65 :EMHQGHLLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22893 # 1h1nA.50.153 read from T0532.t2k.many.frag # found chain 1h1nA in training set T0532 50 :TSSSASKSF 1h1nA 154 :RSAGATSQY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22894 # 1u60A.50.18 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)A54 (1u60A)G23 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 T0532 50 :TSSS 1u60A 19 :HSLN T0532 55 :SK 1u60A 24 :GQ Number of specific fragments extracted= 2 number of extra gaps= 2 total=22896 # 1urjA.50.715 read from T0532.t2k.many.frag # found chain 1urjA in template set Warning: unaligning (T0532)A54 (1urjA)N720 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1urjA)N721 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1urjA)G722 because T (delta_L) conformation "forbidden" or filtered. T0532 50 :TSSS 1urjA 716 :MDMF T0532 57 :SF 1urjA 723 :FL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22898 # 1es9A.50.34 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)A54 (1es9A)P39 because P (beta_P) conformation "forbidden" or filtered. T0532 50 :TSSS 1es9A 35 :KDKE T0532 55 :SKSF 1es9A 40 :EVVF Number of specific fragments extracted= 2 number of extra gaps= 1 total=22900 # 1h4xA.50.37 read from T0532.t2k.many.frag # found chain 1h4xA in training set T0532 50 :TSSSASKSF 1h4xA 38 :FQGAVTTII Number of specific fragments extracted= 1 number of extra gaps= 0 total=22901 # 1vjoA.50.76 read from T0532.t2k.many.frag # found chain 1vjoA in training set Warning: unaligning (T0532)A54 (1vjoA)Q69 because L (left) conformation "forbidden" or filtered. T0532 50 :TSSS 1vjoA 65 :RYVW T0532 55 :SKSF 1vjoA 70 :TENP Number of specific fragments extracted= 2 number of extra gaps= 1 total=22903 # 1vhh.50.81 read from T0532.t2k.many.frag # found chain 1vhh in training set Warning: unaligning (T0532)S55 (1vhh)G120 because T (delta_L) conformation "forbidden" or filtered. T0532 50 :TSSSA 1vhh 115 :MNQWP T0532 56 :KSF 1vhh 121 :VKL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22905 # 1ra6A.50.85 read from T0532.t2k.many.frag # found chain 1ra6A in template set Warning: unaligning (T0532)S53 (1ra6A)D89 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1ra6A)E93 because P (beta_P) conformation "forbidden" or filtered. T0532 50 :TSS 1ra6A 86 :MSL T0532 54 :ASK 1ra6A 90 :INT T0532 58 :F 1ra6A 94 :Q Number of specific fragments extracted= 3 number of extra gaps= 2 total=22908 # 2a2cA.50.138 read from T0532.t2k.many.frag # found chain 2a2cA in template set Warning: unaligning (T0532)A54 (2a2cA)G123 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (2a2cA)L124 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (2a2cA)N126 because P (beta_P) conformation "forbidden" or filtered. T0532 50 :TSSS 2a2cA 119 :QEHF T0532 56 :K 2a2cA 125 :S T0532 58 :F 2a2cA 127 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=22911 # 1v8bA.50.118 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)S53 (1v8bA)D122 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1v8bA)G123 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1v8bA)D125 because L (left) conformation "forbidden" or filtered. T0532 50 :TSS 1v8bA 119 :TWG T0532 55 :S 1v8bA 124 :D T0532 57 :SF 1v8bA 126 :NG Number of specific fragments extracted= 3 number of extra gaps= 2 total=22914 # 1koe.50.31 read from T0532.t2k.many.frag # found chain 1koe in training set Warning: unaligning (T0532)S52 (1koe)V171 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1koe)G172 because T (delta_L) conformation "forbidden" or filtered. T0532 50 :TS 1koe 169 :RA T0532 54 :ASKSF 1koe 173 :LSGTF Number of specific fragments extracted= 2 number of extra gaps= 1 total=22916 # 1nekA.50.297 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)A54 (1nekA)G302 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. T0532 50 :TSSS 1nekA 298 :REGR T0532 55 :S 1nekA 303 :C T0532 58 :F 1nekA 306 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=22919 1wy5A expands to /projects/compbio/data/pdb/1wy5.pdb.gz 1wy5A:# 1wy5A.50.47 read from T0532.t2k.many.frag # adding 1wy5A to template set # found chain 1wy5A in template set T0532 50 :TSSSASKSF 1wy5A 48 :KNYFSLKEV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22920 # 2akaA.50.211 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 50 :TSSSASKSF 2akaA 201 :GRNQANGSG Number of specific fragments extracted= 1 number of extra gaps= 0 total=22921 # 1m48A.50.25 read from T0532.t2k.many.frag # found chain 1m48A in template set Warning: unaligning (T0532)K56 (1m48A)K32 because P (beta_P) conformation "forbidden" or filtered. T0532 50 :TSSSAS 1m48A 26 :NGINNY T0532 57 :SF 1m48A 33 :NP Number of specific fragments extracted= 2 number of extra gaps= 1 total=22923 # 1ofuX.50.27 read from T0532.t2k.many.frag # found chain 1ofuX in template set Warning: unaligning (T0532)S52 (1ofuX)E72 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1ofuX)D74 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1ofuX)R76 because Y (epsilon') conformation "forbidden" or filtered. T0532 50 :TS 1ofuX 70 :SE T0532 53 :S 1ofuX 73 :Q T0532 55 :S 1ofuX 75 :A T0532 57 :SF 1ofuX 77 :WL Number of specific fragments extracted= 4 number of extra gaps= 3 total=22927 # 1tqhA.50.80 read from T0532.t2k.many.frag # found chain 1tqhA in training set Warning: unaligning (T0532)S52 (1tqhA)K83 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1tqhA)G84 because T (delta_L) conformation "forbidden" or filtered. T0532 50 :TS 1tqhA 81 :KN T0532 54 :ASKSF 1tqhA 85 :YEKIA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22929 # 1gs9A.50.37 read from T0532.t2k.many.frag # found chain 1gs9A in training set Warning: unaligning (T0532)S55 (1gs9A)L43 because L (left) conformation "forbidden" or filtered. T0532 50 :TSSSA 1gs9A 38 :RWVQT T0532 56 :KSF 1gs9A 44 :SEQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22931 # 1j79A.50.66 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 50 :TSSSASKSF 1j79A 67 :PAPHDFTPL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22932 1y1pA expands to /projects/compbio/data/pdb/1y1p.pdb.gz 1y1pA:# 1y1pA.50.118 read from T0532.t2k.many.frag # adding 1y1pA to template set # found chain 1y1pA in template set T0532 50 :TSSSASKSF 1y1pA 120 :AATPSVKRF Number of specific fragments extracted= 1 number of extra gaps= 0 total=22933 1dekA expands to /projects/compbio/data/pdb/1dek.pdb.gz 1dekA:Bad short name: OD3 for alphabet: pdb_atoms Skipped atom 1140, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1188, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1190, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1192, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1194, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1196, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1198, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1200, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1345, because occupancy 0.400 <= existing 0.600 in 1dekA Skipped atom 1347, because occupancy 0.400 <= existing 0.600 in 1dekA Skipped atom 1349, because occupancy 0.400 <= existing 0.600 in 1dekA Skipped atom 1446, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1448, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1450, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1452, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1454, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1456, because occupancy 0.500 <= existing 0.500 in 1dekA Skipped atom 1458, because occupancy 0.500 <= existing 0.500 in 1dekA # 1dekA.50.47 read from T0532.t2k.many.frag # adding 1dekA to template set # found chain 1dekA in template set Warning: unaligning (T0532)K56 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1dekA)L56 Warning: unaligning (T0532)F58 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1dekA)L56 T0532 50 :TSSSAS 1dekA 48 :AANTDY Number of specific fragments extracted= 1 number of extra gaps= 0 total=22934 # 1uxoA.51.84 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. T0532 51 :SSSAS 1uxoA 83 :HLQLR T0532 57 :SFI 1uxoA 89 :ALG Number of specific fragments extracted= 2 number of extra gaps= 1 total=22936 # 2absA.51.284 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 51 :SSSAS 2absA 265 :AGQNT T0532 58 :FI 2absA 272 :TK Number of specific fragments extracted= 2 number of extra gaps= 1 total=22938 # 1nwaA.51.43 read from T0532.t2k.many.frag # found chain 1nwaA in training set Warning: unaligning (T0532)S57 (1nwaA)S29 because Y (epsilon') conformation "forbidden" or filtered. T0532 51 :SSSASK 1nwaA 23 :NQPGVV T0532 58 :FI 1nwaA 30 :TR Number of specific fragments extracted= 2 number of extra gaps= 1 total=22940 # 1mw5A.51.66 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)S52 (1mw5A)H65 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1mw5A)S67 because Y (epsilon') conformation "forbidden" or filtered. T0532 51 :S 1mw5A 64 :A T0532 53 :S 1mw5A 66 :G T0532 55 :SKSFI 1mw5A 68 :ASWLN Number of specific fragments extracted= 3 number of extra gaps= 2 total=22943 # 1fk5A.51.58 read from T0532.t2k.many.frag # found chain 1fk5A in training set T0532 51 :SSSASKSFI 1fk5A 59 :GVSGLNAGN Number of specific fragments extracted= 1 number of extra gaps= 0 total=22944 # 1bkrA.51.17 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)S51 (1bkrA)G18 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S52 (1bkrA)Y19 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. T0532 53 :S 1bkrA 20 :P T0532 55 :SKSFI 1bkrA 22 :VNIHN Number of specific fragments extracted= 2 number of extra gaps= 2 total=22946 # 1g3kA.51.65 read from T0532.t2k.many.frag # found chain 1g3kA in template set Warning: unaligning (T0532)A54 (1g3kA)G69 because T (delta_L) conformation "forbidden" or filtered. T0532 51 :SSS 1g3kA 66 :MHQ T0532 55 :SKSFI 1g3kA 70 :HLLKS Number of specific fragments extracted= 2 number of extra gaps= 1 total=22948 # 1u60A.51.19 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)A54 (1u60A)G23 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 T0532 51 :SSS 1u60A 20 :SLN T0532 55 :SK 1u60A 24 :GQ T0532 59 :I 1u60A 28 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=22951 # 1vhh.51.82 read from T0532.t2k.many.frag # found chain 1vhh in training set T0532 51 :SSSASKSFI 1vhh 116 :NQWPGVKLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22952 # 1vjoA.51.77 read from T0532.t2k.many.frag # found chain 1vjoA in training set Warning: unaligning (T0532)S53 (1vjoA)W68 because G (3-10) conformation "forbidden" or filtered. T0532 51 :SS 1vjoA 66 :YV T0532 54 :ASKSFI 1vjoA 69 :QTENPL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22954 # 2a2cA.51.139 read from T0532.t2k.many.frag # found chain 2a2cA in template set Warning: unaligning (T0532)S53 (2a2cA)F122 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (2a2cA)G123 because L (left) conformation "forbidden" or filtered. T0532 51 :SS 2a2cA 120 :EH T0532 55 :SKSFI 2a2cA 124 :LSNLT Number of specific fragments extracted= 2 number of extra gaps= 1 total=22956 # 1h1nA.51.154 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)S52 (1h1nA)A156 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1h1nA)G157 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1h1nA)A158 because N (gamma') conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1h1nA)T159 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1h1nA)Q161 because P (beta_P) conformation "forbidden" or filtered. T0532 51 :S 1h1nA 155 :S T0532 56 :K 1h1nA 160 :S T0532 58 :FI 1h1nA 162 :YI Number of specific fragments extracted= 3 number of extra gaps= 2 total=22959 # 1es9A.51.35 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 51 :SSSASKSFI 1es9A 36 :DKEPEVVFI Number of specific fragments extracted= 1 number of extra gaps= 0 total=22960 # 1xmtA.51.66 read from T0532.t2k.many.frag # found chain 1xmtA in training set T0532 51 :SSSASKSFI 1xmtA 67 :SHSISIIPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=22961 # 1v8bA.51.119 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)S52 (1v8bA)G121 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1v8bA)D122 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1v8bA)D125 because L (left) conformation "forbidden" or filtered. T0532 51 :S 1v8bA 120 :W T0532 54 :AS 1v8bA 123 :GD T0532 57 :SFI 1v8bA 126 :NGP Number of specific fragments extracted= 3 number of extra gaps= 2 total=22964 # 1h4xA.51.38 read from T0532.t2k.many.frag # found chain 1h4xA in training set Warning: unaligning (T0532)K56 (1h4xA)T44 because E (beta_S) conformation "forbidden" or filtered. T0532 51 :SSSAS 1h4xA 39 :QGAVT T0532 57 :SFI 1h4xA 45 :IIW Number of specific fragments extracted= 2 number of extra gaps= 1 total=22966 # 1urjA.51.716 read from T0532.t2k.many.frag # found chain 1urjA in template set Warning: unaligning (T0532)A54 (1urjA)N720 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1urjA)G722 because T (delta_L) conformation "forbidden" or filtered. T0532 51 :SSS 1urjA 717 :DMF T0532 55 :S 1urjA 721 :N T0532 57 :SFI 1urjA 723 :FLS Number of specific fragments extracted= 3 number of extra gaps= 2 total=22969 # 1wy5A.51.48 read from T0532.t2k.many.frag # found chain 1wy5A in template set Warning: unaligning (T0532)A54 (1wy5A)S52 because L (left) conformation "forbidden" or filtered. T0532 51 :SSS 1wy5A 49 :NYF T0532 55 :SKSFI 1wy5A 53 :LKEVA Number of specific fragments extracted= 2 number of extra gaps= 1 total=22971 # 2akaA.51.212 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 51 :SSSASKSFI 2akaA 202 :RNQANGSGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=22972 # 1nekA.51.298 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. T0532 51 :SSSAS 1nekA 299 :EGRGC T0532 58 :FI 1nekA 306 :PW Number of specific fragments extracted= 2 number of extra gaps= 1 total=22974 # 1u9yA.51.74 read from T0532.t2k.many.frag # found chain 1u9yA in template set T0532 51 :SSSASKSFI 1u9yA 75 :DEGVKKITL Number of specific fragments extracted= 1 number of extra gaps= 0 total=22975 # 1koe.51.32 read from T0532.t2k.many.frag # found chain 1koe in training set T0532 51 :SSSASKSFI 1koe 170 :AVGLSGTFR Number of specific fragments extracted= 1 number of extra gaps= 0 total=22976 # 1m48A.51.26 read from T0532.t2k.many.frag # found chain 1m48A in template set T0532 51 :SSSASKSFI 1m48A 27 :GINNYKNPK Number of specific fragments extracted= 1 number of extra gaps= 0 total=22977 # 1ra6A.51.86 read from T0532.t2k.many.frag # found chain 1ra6A in template set Warning: unaligning (T0532)S53 (1ra6A)D89 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1ra6A)L97 T0532 51 :SS 1ra6A 87 :SL T0532 54 :ASKSF 1ra6A 90 :INTEQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=22979 # 1ofuX.51.28 read from T0532.t2k.many.frag # found chain 1ofuX in template set Warning: unaligning (T0532)K56 (1ofuX)R76 because Y (epsilon') conformation "forbidden" or filtered. T0532 51 :SSSAS 1ofuX 71 :EEQDA T0532 57 :SFI 1ofuX 77 :WLT Number of specific fragments extracted= 2 number of extra gaps= 1 total=22981 1oj5A expands to /projects/compbio/data/pdb/1oj5.pdb.gz 1oj5A:Skipped atom 42, because occupancy 0.400 <= existing 0.600 in 1oj5A Skipped atom 43, because occupancy 0.400 <= existing 0.600 in 1oj5A Skipped atom 44, because occupancy 0.400 <= existing 0.600 in 1oj5A Skipped atom 156, because occupancy 0.500 <= existing 0.500 in 1oj5A Skipped atom 157, because occupancy 0.500 <= existing 0.500 in 1oj5A Skipped atom 502, because occupancy 0.400 <= existing 0.600 in 1oj5A Skipped atom 503, because occupancy 0.400 <= existing 0.600 in 1oj5A Skipped atom 504, because occupancy 0.400 <= existing 0.600 in 1oj5A # 1oj5A.51.47 read from T0532.t2k.many.frag # adding 1oj5A to template set # found chain 1oj5A in template set Warning: unaligning (T0532)S57 (1oj5A)P307 because P (beta_P) conformation "forbidden" or filtered. T0532 51 :SSSASK 1oj5A 301 :QPQGRE T0532 58 :FI 1oj5A 308 :SY Number of specific fragments extracted= 2 number of extra gaps= 1 total=22983 # 1j79A.51.67 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 51 :SSSASKSFI 1j79A 68 :APHDFTPLM Number of specific fragments extracted= 1 number of extra gaps= 0 total=22984 1i2aA expands to /projects/compbio/data/pdb/1i2a.pdb.gz 1i2aA:# 1i2aA.51.18 read from T0532.t2k.many.frag # adding 1i2aA to template set # found chain 1i2aA in template set Warning: unaligning (T0532)S52 (1i2aA)R20 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1i2aA)F22 because Y (epsilon') conformation "forbidden" or filtered. T0532 51 :S 1i2aA 19 :P T0532 53 :S 1i2aA 21 :N T0532 55 :SKSFI 1i2aA 23 :TQSFE Number of specific fragments extracted= 3 number of extra gaps= 2 total=22987 2erbA expands to /projects/compbio/data/pdb/2erb.pdb.gz 2erbA:Skipped atom 321, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 323, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 325, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 327, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 696, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 698, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 700, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 936, because occupancy 0.500 <= existing 0.500 in 2erbA Skipped atom 938, because occupancy 0.500 <= existing 0.500 in 2erbA # 2erbA.51.63 read from T0532.t2k.many.frag # adding 2erbA to template set # found chain 2erbA in template set Warning: unaligning (T0532)K56 (2erbA)G69 because T (delta_L) conformation "forbidden" or filtered. T0532 51 :SSSAS 2erbA 64 :VVDDN T0532 57 :SFI 2erbA 70 :DVH Number of specific fragments extracted= 2 number of extra gaps= 1 total=22989 # 1wkqA.51.26 read from T0532.t2k.many.frag # found chain 1wkqA in training set Warning: unaligning (T0532)S53 (1wkqA)G21 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1wkqA)G23 because Y (epsilon') conformation "forbidden" or filtered. T0532 51 :SS 1wkqA 19 :NA T0532 54 :A 1wkqA 22 :I T0532 56 :KSFI 1wkqA 24 :GPFG Number of specific fragments extracted= 3 number of extra gaps= 2 total=22992 # 1uxoA.52.85 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Y60 (1uxoA)G92 because Y (epsilon') conformation "forbidden" or filtered. T0532 52 :SSAS 1uxoA 84 :LQLR T0532 57 :SFI 1uxoA 89 :ALG Number of specific fragments extracted= 2 number of extra gaps= 2 total=22994 # 2absA.52.285 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 52 :SSAS 2absA 266 :GQNT T0532 58 :FIY 2absA 272 :TKL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22996 # 1mw5A.52.67 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)A54 (1mw5A)S67 because Y (epsilon') conformation "forbidden" or filtered. T0532 52 :SS 1mw5A 65 :HG T0532 55 :SKSFIY 1mw5A 68 :ASWLNL Number of specific fragments extracted= 2 number of extra gaps= 1 total=22998 # 1fk5A.52.59 read from T0532.t2k.many.frag # found chain 1fk5A in training set Warning: unaligning (T0532)A54 (1fk5A)G62 because L (left) conformation "forbidden" or filtered. T0532 52 :SS 1fk5A 60 :VS T0532 55 :SKSFIY 1fk5A 63 :LNAGNA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23000 # 1nwaA.52.44 read from T0532.t2k.many.frag # found chain 1nwaA in training set Warning: unaligning (T0532)S57 (1nwaA)S29 because Y (epsilon') conformation "forbidden" or filtered. T0532 52 :SSASK 1nwaA 24 :QPGVV T0532 58 :FIY 1nwaA 30 :TRV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23002 # 1bkrA.52.18 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1bkrA)N23 because D (zeta) conformation "forbidden" or filtered. T0532 52 :SS 1bkrA 19 :YP T0532 55 :S 1bkrA 22 :V T0532 57 :SFIY 1bkrA 24 :IHNF Number of specific fragments extracted= 3 number of extra gaps= 2 total=23005 # 1vhh.52.83 read from T0532.t2k.many.frag # found chain 1vhh in training set Warning: unaligning (T0532)A54 (1vhh)P119 because P (beta_P) conformation "forbidden" or filtered. T0532 52 :SS 1vhh 117 :QW T0532 55 :SKSFIY 1vhh 120 :GVKLRV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23007 # 1u60A.52.20 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)S52 (1u60A)L21 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1u60A)G24 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 Warning: unaligning (T0532)I59 (1u60A)D28 because G (3-10) conformation "forbidden" or filtered. T0532 53 :SA 1u60A 22 :NG T0532 56 :K 1u60A 25 :Q T0532 60 :Y 1u60A 29 :Y Number of specific fragments extracted= 3 number of extra gaps= 3 total=23010 # 1vjoA.52.78 read from T0532.t2k.many.frag # found chain 1vjoA in training set Warning: unaligning (T0532)S53 (1vjoA)W68 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1vjoA)E71 because G (3-10) conformation "forbidden" or filtered. T0532 52 :S 1vjoA 67 :V T0532 54 :AS 1vjoA 69 :QT T0532 57 :SFIY 1vjoA 72 :NPLT Number of specific fragments extracted= 3 number of extra gaps= 2 total=23013 # 2a2cA.52.140 read from T0532.t2k.many.frag # found chain 2a2cA in template set Warning: unaligning (T0532)A54 (2a2cA)G123 because L (left) conformation "forbidden" or filtered. T0532 52 :SS 2a2cA 121 :HF T0532 55 :SKSFIY 2a2cA 124 :LSNLTG Number of specific fragments extracted= 2 number of extra gaps= 1 total=23015 # 1g3kA.52.66 read from T0532.t2k.many.frag # found chain 1g3kA in template set Warning: unaligning (T0532)S53 (1g3kA)Q68 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1g3kA)G69 because T (delta_L) conformation "forbidden" or filtered. T0532 52 :S 1g3kA 67 :H T0532 55 :SKSFIY 1g3kA 70 :HLLKSA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23017 # 2akaA.52.213 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 52 :SSASKSFIY 2akaA 203 :NQANGSGVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23018 # 1h1nA.52.155 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)S52 (1h1nA)A156 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1h1nA)G157 because T (delta_L) conformation "forbidden" or filtered. T0532 54 :ASKSFIY 1h1nA 158 :ATSQYIF Number of specific fragments extracted= 1 number of extra gaps= 1 total=23019 # 1m48A.52.27 read from T0532.t2k.many.frag # found chain 1m48A in template set Warning: unaligning (T0532)S55 (1m48A)Y31 because P (beta_P) conformation "forbidden" or filtered. T0532 52 :SSA 1m48A 28 :INN T0532 56 :KSFIY 1m48A 32 :KNPKL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23021 # 1v8bA.52.120 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)S52 (1v8bA)G121 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S53 (1v8bA)D122 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1v8bA)D125 because L (left) conformation "forbidden" or filtered. T0532 54 :AS 1v8bA 123 :GD T0532 57 :SFIY 1v8bA 126 :NGPD Number of specific fragments extracted= 2 number of extra gaps= 2 total=23023 # 1es9A.52.36 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)S53 (1es9A)E38 because D (zeta) conformation "forbidden" or filtered. T0532 52 :S 1es9A 37 :K T0532 54 :ASKSFIY 1es9A 39 :PEVVFIG Number of specific fragments extracted= 2 number of extra gaps= 1 total=23025 # 2erbA.52.64 read from T0532.t2k.many.frag # found chain 2erbA in template set T0532 52 :SSASKSFIY 2erbA 65 :VDDNGDVHL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23026 # 1nekA.52.299 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)S52 (1nekA)G300 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Y60 (1nekA)G308 because S (epsilon) conformation "forbidden" or filtered. T0532 53 :SAS 1nekA 301 :RGC T0532 58 :FI 1nekA 306 :PW Number of specific fragments extracted= 2 number of extra gaps= 3 total=23028 # 1i2aA.52.19 read from T0532.t2k.many.frag # found chain 1i2aA in template set Warning: unaligning (T0532)S52 (1i2aA)R20 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1i2aA)F22 because Y (epsilon') conformation "forbidden" or filtered. T0532 53 :S 1i2aA 21 :N T0532 55 :SKSFIY 1i2aA 23 :TQSFEF Number of specific fragments extracted= 2 number of extra gaps= 2 total=23030 # 1wkqA.52.27 read from T0532.t2k.many.frag # found chain 1wkqA in training set Warning: unaligning (T0532)S52 (1wkqA)A20 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1wkqA)G24 because P (beta_P) conformation "forbidden" or filtered. T0532 53 :SAS 1wkqA 21 :GIG T0532 57 :SFIY 1wkqA 25 :PFGA Number of specific fragments extracted= 2 number of extra gaps= 2 total=23032 # 1oj5A.52.48 read from T0532.t2k.many.frag # found chain 1oj5A in template set Warning: unaligning (T0532)A54 (1oj5A)G304 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1oj5A)E306 because P (beta_P) conformation "forbidden" or filtered. T0532 52 :SS 1oj5A 302 :PQ T0532 55 :S 1oj5A 305 :R T0532 57 :SFIY 1oj5A 307 :PSYA Number of specific fragments extracted= 3 number of extra gaps= 2 total=23035 # 2baa.52.160 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)S53 (2baa)Q162 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (2baa)P164 because C (cis) conformation "forbidden" or filtered. T0532 52 :S 2baa 161 :A T0532 54 :A 2baa 163 :P T0532 56 :KSFIY 2baa 165 :KPSSH Number of specific fragments extracted= 3 number of extra gaps= 2 total=23038 # 1ofuX.52.29 read from T0532.t2k.many.frag # found chain 1ofuX in template set Warning: unaligning (T0532)S52 (1ofuX)E72 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1ofuX)R76 because Y (epsilon') conformation "forbidden" or filtered. T0532 53 :SAS 1ofuX 73 :QDA T0532 57 :SFIY 1ofuX 77 :WLTL Number of specific fragments extracted= 2 number of extra gaps= 2 total=23040 # 1j79A.52.68 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 52 :SSASKSFIY 1j79A 69 :PHDFTPLMT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23041 # 1wy5A.52.49 read from T0532.t2k.many.frag # found chain 1wy5A in template set T0532 52 :SSASKSFIY 1wy5A 50 :YFSLKEVAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23042 1l9vA expands to /projects/compbio/data/pdb/1l9v.pdb.gz 1l9vA:# 1l9vA.52.90 read from T0532.t2k.many.frag # adding 1l9vA to template set # found chain 1l9vA in template set Warning: unaligning (T0532)A54 (1l9vA)V93 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1l9vA)T94 because P (beta_P) conformation "forbidden" or filtered. T0532 52 :SS 1l9vA 91 :LK T0532 56 :KSFIY 1l9vA 95 :QANVS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23044 # 1koe.52.33 read from T0532.t2k.many.frag # found chain 1koe in training set Warning: unaligning (T0532)K56 (1koe)G175 because P (beta_P) conformation "forbidden" or filtered. T0532 52 :SSAS 1koe 171 :VGLS T0532 57 :SFIY 1koe 176 :TFRA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23046 # 1xszA.52.35 read from T0532.t2k.many.frag # found chain 1xszA in training set Warning: unaligning (T0532)S53 (1xszA)K35 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1xszA)I36 because E (beta_S) conformation "forbidden" or filtered. T0532 52 :S 1xszA 34 :Y T0532 55 :SKSFIY 1xszA 37 :SPNEEI Number of specific fragments extracted= 2 number of extra gaps= 1 total=23048 # 1h4xA.52.39 read from T0532.t2k.many.frag # found chain 1h4xA in training set T0532 52 :SSASKSFIY 1h4xA 40 :GAVTTIIWN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23049 # 1urjA.52.717 read from T0532.t2k.many.frag # found chain 1urjA in template set Warning: unaligning (T0532)A54 (1urjA)N720 because L (left) conformation "forbidden" or filtered. T0532 52 :SS 1urjA 718 :MF T0532 55 :SKSFIY 1urjA 721 :NGFLSA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23051 # 1uxoA.53.86 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1uxoA)I93 because E (beta_S) conformation "forbidden" or filtered. T0532 53 :SAS 1uxoA 85 :QLR T0532 57 :SFIY 1uxoA 89 :ALGG Number of specific fragments extracted= 2 number of extra gaps= 2 total=23053 # 2absA.53.286 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 53 :SAS 2absA 267 :QNT T0532 58 :FIYD 2absA 272 :TKLV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23055 # 1mw5A.53.68 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)A54 (1mw5A)S67 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1mw5A)S69 because P (beta_P) conformation "forbidden" or filtered. T0532 53 :S 1mw5A 66 :G T0532 55 :S 1mw5A 68 :A T0532 57 :SFIYD 1mw5A 70 :WLNLD Number of specific fragments extracted= 3 number of extra gaps= 2 total=23058 # 1fk5A.53.60 read from T0532.t2k.many.frag # found chain 1fk5A in training set Warning: unaligning (T0532)A54 (1fk5A)G62 because L (left) conformation "forbidden" or filtered. T0532 53 :S 1fk5A 61 :S T0532 55 :SKSFIYD 1fk5A 63 :LNAGNAA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23060 # 1bkrA.53.19 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)A54 (1bkrA)N21 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1bkrA)N23 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)F58 (1bkrA)H25 because G (3-10) conformation "forbidden" or filtered. T0532 53 :S 1bkrA 20 :P T0532 55 :S 1bkrA 22 :V T0532 57 :S 1bkrA 24 :I T0532 59 :IYD 1bkrA 26 :NFT Number of specific fragments extracted= 4 number of extra gaps= 3 total=23064 # 1vjoA.53.79 read from T0532.t2k.many.frag # found chain 1vjoA in training set Warning: unaligning (T0532)S57 (1vjoA)N72 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1vjoA)I76 because Y (epsilon') conformation "forbidden" or filtered. T0532 53 :SASK 1vjoA 68 :WQTE T0532 58 :FIY 1vjoA 73 :PLT Number of specific fragments extracted= 2 number of extra gaps= 2 total=23066 # 2a2cA.53.141 read from T0532.t2k.many.frag # found chain 2a2cA in template set Warning: unaligning (T0532)A54 (2a2cA)G123 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (2a2cA)M130 because Y (epsilon') conformation "forbidden" or filtered. T0532 53 :S 2a2cA 122 :F T0532 55 :SKSFIY 2a2cA 124 :LSNLTG Number of specific fragments extracted= 2 number of extra gaps= 2 total=23068 # 1u60A.53.21 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)A54 (1u60A)G23 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1u60A)G24 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 T0532 53 :S 1u60A 22 :N T0532 56 :K 1u60A 25 :Q T0532 59 :IYD 1u60A 28 :DYI Number of specific fragments extracted= 3 number of extra gaps= 2 total=23071 # 2akaA.53.214 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 53 :SASKSFIYD 2akaA 204 :QANGSGVLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23072 # 1vhh.53.84 read from T0532.t2k.many.frag # found chain 1vhh in training set Warning: unaligning (T0532)S53 (1vhh)W118 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1vhh)P119 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1vhh)G120 because T (delta_L) conformation "forbidden" or filtered. T0532 56 :KSFIYD 1vhh 121 :VKLRVT Number of specific fragments extracted= 1 number of extra gaps= 1 total=23073 # 1m48A.53.28 read from T0532.t2k.many.frag # found chain 1m48A in template set T0532 53 :SASKSFIYD 1m48A 29 :NNYKNPKLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23074 # 1nwaA.53.45 read from T0532.t2k.many.frag # found chain 1nwaA in training set Warning: unaligning (T0532)S57 (1nwaA)S29 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1nwaA)G33 because Y (epsilon') conformation "forbidden" or filtered. T0532 53 :SASK 1nwaA 25 :PGVV T0532 58 :FIY 1nwaA 30 :TRV Number of specific fragments extracted= 2 number of extra gaps= 2 total=23076 # 2erbA.53.65 read from T0532.t2k.many.frag # found chain 2erbA in template set T0532 53 :SASKSFIYD 2erbA 66 :DDNGDVHLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23077 # 2baa.53.161 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)S55 (2baa)P164 because C (cis) conformation "forbidden" or filtered. T0532 53 :SA 2baa 162 :QP T0532 56 :KSFIYD 2baa 165 :KPSSHA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23079 # 1v8bA.53.121 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)S53 (1v8bA)D122 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1v8bA)D125 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1v8bA)M130 because E (beta_S) conformation "forbidden" or filtered. T0532 54 :AS 1v8bA 123 :GD T0532 57 :SFIY 1v8bA 126 :NGPD Number of specific fragments extracted= 2 number of extra gaps= 3 total=23081 # 1i2aA.53.20 read from T0532.t2k.many.frag # found chain 1i2aA in template set Warning: unaligning (T0532)A54 (1i2aA)F22 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1i2aA)I29 because E (beta_S) conformation "forbidden" or filtered. T0532 53 :S 1i2aA 21 :N T0532 55 :SKSFIY 1i2aA 23 :TQSFEF Number of specific fragments extracted= 2 number of extra gaps= 2 total=23083 # 1nekA.53.300 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)S53 (1nekA)R301 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. T0532 54 :AS 1nekA 302 :GC T0532 58 :FIYD 1nekA 306 :PWGP Number of specific fragments extracted= 2 number of extra gaps= 2 total=23085 # 1wkqA.53.28 read from T0532.t2k.many.frag # found chain 1wkqA in training set Warning: unaligning (T0532)S53 (1wkqA)G21 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (1wkqA)G23 because Y (epsilon') conformation "forbidden" or filtered. T0532 54 :A 1wkqA 22 :I T0532 56 :KSFIYD 1wkqA 24 :GPFGAV Number of specific fragments extracted= 2 number of extra gaps= 2 total=23087 # 1oj5A.53.49 read from T0532.t2k.many.frag # found chain 1oj5A in template set Warning: unaligning (T0532)A54 (1oj5A)G304 because S (epsilon) conformation "forbidden" or filtered. T0532 53 :S 1oj5A 303 :Q T0532 55 :SKSFIYD 1oj5A 305 :REPSYAR Number of specific fragments extracted= 2 number of extra gaps= 1 total=23089 # 1l9vA.53.91 read from T0532.t2k.many.frag # found chain 1l9vA in template set T0532 53 :SASKSFIYD 1l9vA 92 :KVTQANVSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23090 1u7nA expands to /projects/compbio/data/pdb/1u7n.pdb.gz 1u7nA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 302, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 304, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 306, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 308, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 310, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 312, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 314, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 316, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 318, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1160, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1162, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1164, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1166, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1168, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1170, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1172, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1174, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1176, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1284, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1286, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1288, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1290, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1292, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1294, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1296, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1298, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1307, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1309, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1311, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1313, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1315, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1317, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1319, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1321, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1323, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1610, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1612, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1614, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1616, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1618, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1620, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1622, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1624, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 1626, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1814, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1816, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1818, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1820, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1822, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1824, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1826, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1828, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2013, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2015, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2017, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2019, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2021, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2023, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2025, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2027, because occupancy 0.500 <= existing 0.500 in 1u7nA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 2366, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2368, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2370, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2372, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2374, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2376, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2378, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2380, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2382, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2429, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2431, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2433, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2435, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2437, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2439, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2441, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2443, because occupancy 0.500 <= existing 0.500 in 1u7nA Skipped atom 2445, because occupancy 0.500 <= existing 0.500 in 1u7nA # 1u7nA.53.169 read from T0532.t2k.many.frag # adding 1u7nA to template set # found chain 1u7nA in template set Warning: unaligning (T0532)S53 (1u7nA)R167 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A54 (1u7nA)N168 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1u7nA)N171 because L (left) conformation "forbidden" or filtered. T0532 55 :SK 1u7nA 169 :VQ T0532 58 :FIYD 1u7nA 172 :PRVG Number of specific fragments extracted= 2 number of extra gaps= 2 total=23092 # 1jk0B.53.93 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jk0B)L100 T0532 60 :YD 1jk0B 101 :IE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23093 # 1es9A.53.37 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)S53 (1es9A)E38 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)Y60 (1es9A)G45 because Y (epsilon') conformation "forbidden" or filtered. T0532 54 :ASKSFI 1es9A 39 :PEVVFI T0532 61 :D 1es9A 46 :D Number of specific fragments extracted= 2 number of extra gaps= 2 total=23095 # 1n62A.53.120 read from T0532.t2k.many.frag # found chain 1n62A in training set Warning: unaligning (T0532)A54 (1n62A)S122 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1n62A)T124 because P (beta_P) conformation "forbidden" or filtered. T0532 53 :S 1n62A 121 :P T0532 55 :S 1n62A 123 :P T0532 57 :SFIYD 1n62A 125 :EAEIR Number of specific fragments extracted= 3 number of extra gaps= 2 total=23098 # 1h1nA.53.156 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)S53 (1h1nA)G157 because T (delta_L) conformation "forbidden" or filtered. T0532 54 :ASKSFIYD 1h1nA 158 :ATSQYIFV Number of specific fragments extracted= 1 number of extra gaps= 1 total=23099 # 1g3kA.53.67 read from T0532.t2k.many.frag # found chain 1g3kA in template set Warning: unaligning (T0532)S53 (1g3kA)Q68 because L (left) conformation "forbidden" or filtered. T0532 54 :ASKSFIYD 1g3kA 69 :GHLLKSAV Number of specific fragments extracted= 1 number of extra gaps= 1 total=23100 # 1xszA.53.36 read from T0532.t2k.many.frag # found chain 1xszA in training set Warning: unaligning (T0532)S53 (1xszA)K35 because L (left) conformation "forbidden" or filtered. T0532 54 :ASKSFIYD 1xszA 36 :ISPNEEIA Number of specific fragments extracted= 1 number of extra gaps= 1 total=23101 1q2lA expands to /projects/compbio/data/pdb/1q2l.pdb.gz 1q2lA:# 1q2lA.53.150 read from T0532.t2k.many.frag # adding 1q2lA to template set # found chain 1q2lA in template set T0532 53 :SASKSFIYD 1q2lA 174 :RTRDGMRMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23102 1esc expands to /projects/compbio/data/pdb/1esc.pdb.gz 1esc:Warning: there is no chain 1esc will retry with 1escA # 1esc.53.120 read from T0532.t2k.many.frag # adding 1esc to template set # found chain 1esc in template set Warning: unaligning (T0532)D61 (1esc)G129 because S (epsilon) conformation "forbidden" or filtered. T0532 53 :SASKSFIY 1esc 121 :LRKPSLLP Number of specific fragments extracted= 1 number of extra gaps= 1 total=23103 # 1j79A.53.69 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 53 :SASKSFIYD 1j79A 70 :HDFTPLMTC Number of specific fragments extracted= 1 number of extra gaps= 0 total=23104 # 1uxoA.54.87 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)E62 (1uxoA)I94 because E (beta_S) conformation "forbidden" or filtered. T0532 54 :ASKSFIYD 1uxoA 86 :LRAALGGI Number of specific fragments extracted= 1 number of extra gaps= 1 total=23105 # 1mw5A.54.69 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 54 :ASKSFIYDE 1mw5A 67 :SASWLNLDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23106 # 2absA.54.287 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 54 :AS 2absA 268 :NT T0532 58 :FIYDE 2absA 272 :TKLVV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23108 # 1fk5A.54.61 read from T0532.t2k.many.frag # found chain 1fk5A in training set Warning: unaligning (T0532)A54 (1fk5A)G62 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1fk5A)N64 because D (zeta) conformation "forbidden" or filtered. T0532 55 :S 1fk5A 63 :L T0532 57 :SFIYDE 1fk5A 65 :AGNAAS Number of specific fragments extracted= 2 number of extra gaps= 2 total=23110 # 1bkrA.54.20 read from T0532.t2k.many.frag # found chain 1bkrA in training set T0532 54 :ASKSFIYDE 1bkrA 21 :NVNIHNFTT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23111 # 2baa.54.162 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)A54 (2baa)P163 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S55 (2baa)P164 because C (cis) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (2baa)K165 because P (beta_P) conformation "forbidden" or filtered. T0532 57 :SFIYDE 2baa 166 :PSSHAV Number of specific fragments extracted= 1 number of extra gaps= 1 total=23112 # 2erbA.54.66 read from T0532.t2k.many.frag # found chain 2erbA in template set Warning: unaligning (T0532)K56 (2erbA)G69 because T (delta_L) conformation "forbidden" or filtered. T0532 54 :AS 2erbA 67 :DN T0532 57 :SFIYDE 2erbA 70 :DVHLEK Number of specific fragments extracted= 2 number of extra gaps= 1 total=23114 # 1vjoA.54.80 read from T0532.t2k.many.frag # found chain 1vjoA in training set Warning: unaligning (T0532)A54 (1vjoA)Q69 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1vjoA)E71 because G (3-10) conformation "forbidden" or filtered. T0532 55 :S 1vjoA 70 :T T0532 57 :SFIYDE 1vjoA 72 :NPLTIA Number of specific fragments extracted= 2 number of extra gaps= 2 total=23116 # 2a2cA.54.142 read from T0532.t2k.many.frag # found chain 2a2cA in template set Warning: unaligning (T0532)A54 (2a2cA)G123 because L (left) conformation "forbidden" or filtered. T0532 55 :SKSFIYDE 2a2cA 124 :LSNLTGMN Number of specific fragments extracted= 1 number of extra gaps= 1 total=23117 # 1u60A.54.22 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)A54 (1u60A)G23 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 Warning: unaligning (T0532)I59 (1u60A)D28 because G (3-10) conformation "forbidden" or filtered. T0532 55 :SK 1u60A 24 :GQ T0532 60 :YDE 1u60A 29 :YIP Number of specific fragments extracted= 2 number of extra gaps= 2 total=23119 # 1nekA.54.301 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Y60 (1nekA)G308 because S (epsilon) conformation "forbidden" or filtered. T0532 54 :AS 1nekA 302 :GC T0532 57 :SFI 1nekA 305 :GPW T0532 61 :DE 1nekA 309 :PH Number of specific fragments extracted= 3 number of extra gaps= 2 total=23122 # 1m48A.54.29 read from T0532.t2k.many.frag # found chain 1m48A in template set Warning: unaligning (T0532)K56 (1m48A)K32 because P (beta_P) conformation "forbidden" or filtered. T0532 54 :AS 1m48A 30 :NY T0532 57 :SFIYDE 1m48A 33 :NPKLTR Number of specific fragments extracted= 2 number of extra gaps= 1 total=23124 # 1jk0B.54.94 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jk0B)L100 T0532 60 :YDE 1jk0B 101 :IEN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23125 # 2akaA.54.215 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)A54 (2akaA)A205 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (2akaA)G207 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)F58 (2akaA)G209 because S (epsilon) conformation "forbidden" or filtered. T0532 55 :S 2akaA 206 :N T0532 57 :S 2akaA 208 :S T0532 59 :IYDE 2akaA 210 :VLEQ Number of specific fragments extracted= 3 number of extra gaps= 3 total=23128 # 1l9vA.54.92 read from T0532.t2k.many.frag # found chain 1l9vA in template set T0532 54 :ASKSFIYDE 1l9vA 93 :VTQANVSNV Number of specific fragments extracted= 1 number of extra gaps= 0 total=23129 # 1vhh.54.85 read from T0532.t2k.many.frag # found chain 1vhh in training set T0532 54 :ASKSFIYDE 1vhh 119 :PGVKLRVTE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23130 # 1i2aA.54.21 read from T0532.t2k.many.frag # found chain 1i2aA in template set Warning: unaligning (T0532)A54 (1i2aA)F22 because Y (epsilon') conformation "forbidden" or filtered. T0532 55 :SKSFIYDE 1i2aA 23 :TQSFEFIA Number of specific fragments extracted= 1 number of extra gaps= 1 total=23131 # 1u7nA.54.170 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)A54 (1u7nA)N168 because L (left) conformation "forbidden" or filtered. T0532 55 :SKSFIYDE 1u7nA 169 :VQNPRVGL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23132 # 1oj5A.54.50 read from T0532.t2k.many.frag # found chain 1oj5A in template set T0532 54 :ASKSFIYDE 1oj5A 304 :GREPSYARQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23133 # 1q2lA.54.151 read from T0532.t2k.many.frag # found chain 1q2lA in template set T0532 54 :ASKSFIYDE 1q2lA 175 :TRDGMRMAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23134 # 1es9A.54.38 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 54 :ASKSFIYDE 1es9A 39 :PEVVFIGDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23135 # 1n62A.54.121 read from T0532.t2k.many.frag # found chain 1n62A in training set T0532 54 :ASKSFIYDE 1n62A 122 :SPTEAEIRF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23136 # 1esc.54.121 read from T0532.t2k.many.frag # found chain 1esc in template set Warning: unaligning (T0532)S57 (1esc)S125 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1esc)G129 because S (epsilon) conformation "forbidden" or filtered. T0532 54 :ASK 1esc 122 :RKP T0532 58 :FIY 1esc 126 :LLP T0532 62 :E 1esc 130 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=23139 # 1wkqA.54.29 read from T0532.t2k.many.frag # found chain 1wkqA in training set Warning: unaligning (T0532)K56 (1wkqA)G24 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1wkqA)V29 because E (beta_S) conformation "forbidden" or filtered. T0532 54 :AS 1wkqA 22 :IG T0532 57 :SFIY 1wkqA 25 :PFGA T0532 62 :E 1wkqA 30 :I Number of specific fragments extracted= 3 number of extra gaps= 2 total=23142 # 1v8bA.54.122 read from T0532.t2k.many.frag # found chain 1v8bA in template set Warning: unaligning (T0532)A54 (1v8bA)G123 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (1v8bA)D125 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1v8bA)M130 because E (beta_S) conformation "forbidden" or filtered. T0532 55 :S 1v8bA 124 :D T0532 57 :SFIY 1v8bA 126 :NGPD T0532 62 :E 1v8bA 131 :I Number of specific fragments extracted= 3 number of extra gaps= 3 total=23145 # 1xszA.54.37 read from T0532.t2k.many.frag # found chain 1xszA in training set T0532 54 :ASKSFIYDE 1xszA 36 :ISPNEEIAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23146 # 1gs9A.54.41 read from T0532.t2k.many.frag # found chain 1gs9A in training set T0532 54 :ASKSFIYDE 1gs9A 42 :TLSEQVQEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23147 # 1nwaA.54.46 read from T0532.t2k.many.frag # found chain 1nwaA in training set Warning: unaligning (T0532)S57 (1nwaA)S29 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1nwaA)G33 because Y (epsilon') conformation "forbidden" or filtered. T0532 54 :ASK 1nwaA 26 :GVV T0532 58 :FIY 1nwaA 30 :TRV T0532 62 :E 1nwaA 34 :Y Number of specific fragments extracted= 3 number of extra gaps= 2 total=23150 # 1j79A.54.70 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 54 :ASKSFIYDE 1j79A 71 :DFTPLMTCY Number of specific fragments extracted= 1 number of extra gaps= 0 total=23151 1sz9A expands to /projects/compbio/data/pdb/1sz9.pdb.gz 1sz9A:# 1sz9A.54.20 read from T0532.t2k.many.frag # adding 1sz9A to template set # found chain 1sz9A in template set T0532 54 :ASKSFIYDE 1sz9A 21 :FNSRPIITT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23152 # 1mw5A.55.70 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)K56 (1mw5A)S69 because P (beta_P) conformation "forbidden" or filtered. T0532 55 :S 1mw5A 68 :A T0532 57 :SFIYDEL 1mw5A 70 :WLNLDDA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23154 # 1uxoA.55.88 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1uxoA)I93 because E (beta_S) conformation "forbidden" or filtered. T0532 55 :S 1uxoA 87 :R T0532 57 :SFIY 1uxoA 89 :ALGG T0532 62 :EL 1uxoA 94 :IL Number of specific fragments extracted= 3 number of extra gaps= 2 total=23157 # 2baa.55.163 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)S55 (2baa)P164 because C (cis) conformation "forbidden" or filtered. T0532 56 :KSFIYDEL 2baa 165 :KPSSHAVI Number of specific fragments extracted= 1 number of extra gaps= 1 total=23158 # 1bkrA.55.21 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)K56 (1bkrA)N23 because D (zeta) conformation "forbidden" or filtered. T0532 55 :S 1bkrA 22 :V T0532 57 :SFIYDEL 1bkrA 24 :IHNFTTS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23160 # 1jk0B.55.95 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jk0B)L100 T0532 60 :YDEL 1jk0B 101 :IENF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23161 # 2erbA.55.67 read from T0532.t2k.many.frag # found chain 2erbA in template set Warning: unaligning (T0532)S55 (2erbA)N68 because G (3-10) conformation "forbidden" or filtered. T0532 56 :KSFIYDEL 2erbA 69 :GDVHLEKL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23162 # 1nekA.55.302 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1nekA)H310 because Y (epsilon') conformation "forbidden" or filtered. T0532 55 :SK 1nekA 303 :CD T0532 58 :FIYD 1nekA 306 :PWGP T0532 63 :L 1nekA 311 :A Number of specific fragments extracted= 3 number of extra gaps= 2 total=23165 # 2absA.55.288 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 55 :S 2absA 269 :T T0532 58 :FIYDEL 2absA 272 :TKLVVM Number of specific fragments extracted= 2 number of extra gaps= 1 total=23167 # 1fk5A.55.62 read from T0532.t2k.many.frag # found chain 1fk5A in training set T0532 55 :SKSFIYDEL 1fk5A 63 :LNAGNAASI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23168 # 1l9vA.55.93 read from T0532.t2k.many.frag # found chain 1l9vA in template set T0532 55 :SKSFIYDEL 1l9vA 94 :TQANVSNVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23169 # 1m48A.55.30 read from T0532.t2k.many.frag # found chain 1m48A in template set Warning: unaligning (T0532)K56 (1m48A)K32 because P (beta_P) conformation "forbidden" or filtered. T0532 55 :S 1m48A 31 :Y T0532 57 :SFIYDEL 1m48A 33 :NPKLTRM Number of specific fragments extracted= 2 number of extra gaps= 1 total=23171 # 2a2cA.55.143 read from T0532.t2k.many.frag # found chain 2a2cA in template set Warning: unaligning (T0532)S55 (2a2cA)L124 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (2a2cA)M130 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (2a2cA)N131 because E (beta_S) conformation "forbidden" or filtered. T0532 56 :KSFIY 2a2cA 125 :SNLTG T0532 63 :L 2a2cA 132 :C Number of specific fragments extracted= 2 number of extra gaps= 2 total=23173 # 1i2aA.55.22 read from T0532.t2k.many.frag # found chain 1i2aA in template set T0532 55 :SKSFIYDEL 1i2aA 23 :TQSFEFIAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23174 # 1vjoA.55.81 read from T0532.t2k.many.frag # found chain 1vjoA in training set Warning: unaligning (T0532)E62 (1vjoA)A77 because E (beta_S) conformation "forbidden" or filtered. T0532 55 :SKSFIYD 1vjoA 70 :TENPLTI T0532 63 :L 1vjoA 78 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=23176 # 1es9A.55.39 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 55 :SKSFIYDEL 1es9A 40 :EVVFIGDSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23177 # 1u60A.55.23 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)S55 (1u60A)G24 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 T0532 56 :K 1u60A 25 :Q T0532 59 :IYDEL 1u60A 28 :DYIPF Number of specific fragments extracted= 2 number of extra gaps= 2 total=23179 # 1u7nA.55.171 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)S57 (1u7nA)N171 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1u7nA)L176 because E (beta_S) conformation "forbidden" or filtered. T0532 55 :SK 1u7nA 169 :VQ T0532 58 :FIYD 1u7nA 172 :PRVG T0532 63 :L 1u7nA 177 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=23182 # 1q2lA.55.152 read from T0532.t2k.many.frag # found chain 1q2lA in template set T0532 55 :SKSFIYDEL 1q2lA 176 :RDGMRMAQV Number of specific fragments extracted= 1 number of extra gaps= 0 total=23183 # 1sz9A.55.21 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 55 :SKSFIYDEL 1sz9A 22 :NSRPIITTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23184 # 1esc.55.122 read from T0532.t2k.many.frag # found chain 1esc in template set T0532 55 :SKSFIYDEL 1esc 123 :KPSLLPGDP Number of specific fragments extracted= 1 number of extra gaps= 0 total=23185 # 1gs9A.55.42 read from T0532.t2k.many.frag # found chain 1gs9A in training set T0532 55 :SKSFIYDEL 1gs9A 43 :LSEQVQEEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23186 # 2akaA.55.216 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)S55 (2akaA)N206 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)K56 (2akaA)G207 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)F58 (2akaA)G209 because S (epsilon) conformation "forbidden" or filtered. T0532 57 :S 2akaA 208 :S T0532 59 :IYDEL 2akaA 210 :VLEQQ Number of specific fragments extracted= 2 number of extra gaps= 2 total=23188 # 1vhh.55.86 read from T0532.t2k.many.frag # found chain 1vhh in training set Warning: unaligning (T0532)L63 (1vhh)G128 because Y (epsilon') conformation "forbidden" or filtered. T0532 55 :SKSFIYDE 1vhh 120 :GVKLRVTE Number of specific fragments extracted= 1 number of extra gaps= 1 total=23189 # 1j79A.55.71 read from T0532.t2k.many.frag # found chain 1j79A in training set Warning: unaligning (T0532)D61 (1j79A)C78 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1j79A)Y79 because P (beta_P) conformation "forbidden" or filtered. T0532 55 :SKSFIY 1j79A 72 :FTPLMT T0532 63 :L 1j79A 80 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=23191 # 1n62A.55.122 read from T0532.t2k.many.frag # found chain 1n62A in training set T0532 55 :SKSFIYDEL 1n62A 123 :PTEAEIRFG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23192 # 1oj5A.55.51 read from T0532.t2k.many.frag # found chain 1oj5A in template set T0532 55 :SKSFIYDEL 1oj5A 305 :REPSYARQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23193 # 1xszA.55.38 read from T0532.t2k.many.frag # found chain 1xszA in training set T0532 55 :SKSFIYDEL 1xszA 37 :SPNEEIAEF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23194 1ci4A expands to /projects/compbio/data/pdb/1ci4.pdb.gz 1ci4A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1ci4A.55.54 read from T0532.t2k.many.frag # adding 1ci4A to template set # found chain 1ci4A in template set T0532 55 :SKSFIYDEL 1ci4A 55 :DEDLFREWL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23195 # 1odzA.55.160 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)D61 (1odzA)P204 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1odzA)V205 because E (beta_S) conformation "forbidden" or filtered. T0532 55 :SKSFIY 1odzA 198 :EQGRLI T0532 63 :L 1odzA 206 :I Number of specific fragments extracted= 2 number of extra gaps= 1 total=23197 2bhuA expands to /projects/compbio/data/pdb/2bhu.pdb.gz 2bhuA:Skipped atom 79, because occupancy 0.050 <= existing 0.500 in 2bhuA Skipped atom 80, because occupancy 0.150 <= existing 0.500 in 2bhuA Skipped atom 81, because occupancy 0.050 <= existing 0.300 in 2bhuA Skipped atom 82, because occupancy 0.050 <= existing 0.500 in 2bhuA Skipped atom 83, because occupancy 0.050 <= existing 0.300 in 2bhuA Skipped atom 84, because occupancy 0.150 <= existing 0.500 in 2bhuA Skipped atom 85, because occupancy 0.150 <= existing 0.500 in 2bhuA Skipped atom 86, because occupancy 0.050 <= existing 0.500 in 2bhuA Skipped atom 87, because occupancy 0.050 <= existing 0.500 in 2bhuA Skipped atom 88, because occupancy 0.000 <= existing 0.300 in 2bhuA Skipped atom 89, because occupancy 0.000 <= existing 0.300 in 2bhuA Skipped atom 341, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 342, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 343, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 344, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 345, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 346, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 347, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 348, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 349, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 762, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 763, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 764, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 765, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 766, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 767, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 768, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 788, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 789, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 790, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 791, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 792, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 793, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 794, because occupancy 0.000 <= existing 0.750 in 2bhuA Skipped atom 795, because occupancy 0.000 <= existing 0.750 in 2bhuA Skipped atom 883, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 884, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 885, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 886, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 887, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 888, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 889, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 890, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 891, because occupancy 0.300 <= existing 0.700 in 2bhuA Skipped atom 965, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 966, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 967, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 968, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 969, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 970, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 971, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 1154, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1155, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1156, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1157, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1158, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1159, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1160, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1161, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1162, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1202, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1203, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1204, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1205, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1206, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1207, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1208, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1209, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1210, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1211, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1212, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1213, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1214, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1215, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1216, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1217, because occupancy 0.400 <= existing 0.500 in 2bhuA Skipped atom 1468, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1469, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1470, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1471, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1472, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1473, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1474, because occupancy 0.050 <= existing 0.500 in 2bhuA Skipped atom 1475, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1476, because occupancy 0.050 <= existing 0.950 in 2bhuA Skipped atom 1560, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1561, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1562, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1563, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1564, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1565, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1566, because occupancy 0.000 <= existing 0.300 in 2bhuA Skipped atom 1567, because occupancy 0.000 <= existing 0.300 in 2bhuA Skipped atom 1568, because occupancy 0.000 <= existing 0.300 in 2bhuA Skipped atom 1569, because occupancy 0.000 <= existing 0.100 in 2bhuA Skipped atom 1570, because occupancy 0.000 <= existing 0.100 in 2bhuA Skipped atom 1739, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1740, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1741, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1742, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1743, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1744, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1745, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 1746, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 1747, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 1748, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 1749, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 1750, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 1836, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1837, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1838, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1839, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1840, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1841, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1842, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 1843, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1844, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1845, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1846, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1870, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1871, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1872, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1873, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1874, because occupancy 0.300 <= existing 0.500 in 2bhuA Skipped atom 1875, because occupancy 0.300 <= existing 0.500 in 2bhuA Skipped atom 1907, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 1908, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1909, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1910, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 1911, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1912, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 1913, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 1914, because occupancy 0.000 <= existing 0.000 in 2bhuA Skipped atom 2268, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2269, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2270, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2271, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2272, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2273, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2274, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2275, because occupancy 0.200 <= existing 0.500 in 2bhuA Skipped atom 2276, because occupancy 0.200 <= existing 0.700 in 2bhuA Skipped atom 2277, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2278, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2279, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2280, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2281, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2282, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2283, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2284, because occupancy 0.100 <= existing 0.500 in 2bhuA Skipped atom 2285, because occupancy 0.100 <= existing 0.700 in 2bhuA Skipped atom 2374, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2375, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2376, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2377, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2378, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2379, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2380, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2381, because occupancy 0.000 <= existing 0.800 in 2bhuA Skipped atom 2392, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2393, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2394, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2395, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2396, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2397, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2398, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2399, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2400, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2401, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2460, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2461, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2462, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2463, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2464, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2465, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2466, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2467, because occupancy 0.000 <= existing 0.800 in 2bhuA Skipped atom 2476, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2477, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2478, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2479, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2480, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2481, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2482, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2483, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2550, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2551, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2552, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2553, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2554, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2555, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2556, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 2661, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2662, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2663, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2664, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2665, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2666, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2667, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2715, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2716, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2717, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2718, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2719, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2720, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2721, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2722, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2723, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2724, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2894, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2895, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2896, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2897, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2898, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2899, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2900, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2901, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2902, because occupancy 0.400 <= existing 0.400 in 2bhuA Skipped atom 2903, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2904, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2905, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2906, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2907, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2908, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2909, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2910, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2911, because occupancy 0.200 <= existing 0.400 in 2bhuA Skipped atom 2925, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2926, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2927, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2928, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2929, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2930, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2931, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2932, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 2976, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2977, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2978, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2979, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2980, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2981, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2982, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2983, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2984, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2985, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 2986, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3061, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3062, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3063, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3064, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3065, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3066, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3067, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3068, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3069, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3353, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3354, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3355, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3356, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3357, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3358, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3359, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3360, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3452, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3453, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3454, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3455, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3456, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3457, because occupancy 0.250 <= existing 0.550 in 2bhuA Skipped atom 3458, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3459, because occupancy 0.250 <= existing 0.550 in 2bhuA Skipped atom 3464, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3465, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3466, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3467, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3668, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3669, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3670, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3671, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3672, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3673, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3674, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3675, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 3676, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4018, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4019, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4020, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4021, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4022, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4023, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4024, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4025, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4071, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4072, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4073, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4074, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4075, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4076, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4077, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4078, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4079, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4080, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4081, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4082, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4083, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4084, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4119, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4120, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4121, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4122, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4123, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4124, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4125, because occupancy 0.200 <= existing 0.250 in 2bhuA Skipped atom 4126, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 4127, because occupancy 0.250 <= existing 0.250 in 2bhuA Skipped atom 4171, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4172, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4173, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4174, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4175, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4176, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4177, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4178, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4179, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4180, because occupancy 0.000 <= existing 0.300 in 2bhuA Skipped atom 4181, because occupancy 0.000 <= existing 0.300 in 2bhuA Skipped atom 4208, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4209, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4210, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4211, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4212, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4213, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4214, because occupancy 0.000 <= existing 0.500 in 2bhuA Skipped atom 4215, because occupancy 0.000 <= existing 0.500 in 2bhuA Skipped atom 4216, because occupancy 0.000 <= existing 0.500 in 2bhuA Skipped atom 4217, because occupancy 0.000 <= existing 0.500 in 2bhuA Skipped atom 4218, because occupancy 0.000 <= existing 0.250 in 2bhuA Skipped atom 4285, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4286, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4287, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4288, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4289, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4290, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4291, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4292, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4293, because occupancy 0.000 <= existing 0.000 in 2bhuA Skipped atom 4294, because occupancy 0.000 <= existing 0.000 in 2bhuA Skipped atom 4295, because occupancy 0.000 <= existing 0.000 in 2bhuA Skipped atom 4304, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4305, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4306, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4307, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4308, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4309, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4310, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4311, because occupancy 0.000 <= existing 0.250 in 2bhuA Skipped atom 4585, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4586, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4587, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4588, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4589, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4590, because occupancy 0.200 <= existing 0.500 in 2bhuA Skipped atom 4591, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4592, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4593, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4628, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4629, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4630, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4631, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4632, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4633, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4634, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4635, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4666, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4667, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4668, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4669, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4670, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4671, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4672, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4673, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4832, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4833, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4834, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4835, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4836, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4837, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4838, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4839, because occupancy 0.500 <= existing 0.500 in 2bhuA Skipped atom 4856, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4857, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4858, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4859, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4860, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4861, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4862, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4863, because occupancy 0.250 <= existing 0.750 in 2bhuA Skipped atom 4937, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4938, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4939, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4940, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4941, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4942, because occupancy 0.200 <= existing 0.800 in 2bhuA Skipped atom 4943, because occupancy 0.200 <= existing 0.800 in 2bhuA # 2bhuA.55.269 read from T0532.t2k.many.frag # adding 2bhuA to template set # found chain 2bhuA in template set Warning: unaligning (T0532)K56 (2bhuA)G271 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (2bhuA)A276 because L (left) conformation "forbidden" or filtered. T0532 55 :S 2bhuA 270 :D T0532 57 :SFIY 2bhuA 272 :LRLD T0532 62 :EL 2bhuA 277 :TP Number of specific fragments extracted= 3 number of extra gaps= 2 total=23200 # 1mw5A.56.71 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)K56 (1mw5A)S69 because P (beta_P) conformation "forbidden" or filtered. T0532 57 :SFIYDELL 1mw5A 70 :WLNLDDAL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23201 # 1uxoA.56.89 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K56 (1uxoA)A88 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Y60 (1uxoA)G92 because Y (epsilon') conformation "forbidden" or filtered. T0532 57 :SFI 1uxoA 89 :ALG T0532 61 :DELL 1uxoA 93 :IILV Number of specific fragments extracted= 2 number of extra gaps= 2 total=23203 # 2baa.56.164 read from T0532.t2k.many.frag # found chain 2baa in training set T0532 56 :KSFIYDELL 2baa 165 :KPSSHAVIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23204 # 1jk0B.56.96 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jk0B)L100 T0532 60 :YDELL 1jk0B 101 :IENFS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23205 # 1bkrA.56.22 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)F58 (1bkrA)H25 because G (3-10) conformation "forbidden" or filtered. T0532 56 :KS 1bkrA 23 :NI T0532 59 :IYDELL 1bkrA 26 :NFTTSW Number of specific fragments extracted= 2 number of extra gaps= 1 total=23207 # 1nekA.56.303 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)K56 (1nekA)D304 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1nekA)H310 because Y (epsilon') conformation "forbidden" or filtered. T0532 58 :FIYD 1nekA 306 :PWGP T0532 63 :LL 1nekA 311 :AK Number of specific fragments extracted= 2 number of extra gaps= 2 total=23209 # 2erbA.56.68 read from T0532.t2k.many.frag # found chain 2erbA in template set T0532 56 :KSFIYDELL 2erbA 69 :GDVHLEKLH Number of specific fragments extracted= 1 number of extra gaps= 0 total=23210 # 1es9A.56.40 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 56 :KSFIYDELL 1es9A 41 :VVFIGDSLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=23211 # 1l9vA.56.94 read from T0532.t2k.many.frag # found chain 1l9vA in template set T0532 56 :KSFIYDELL 1l9vA 95 :QANVSNVLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23212 # 1fk5A.56.63 read from T0532.t2k.many.frag # found chain 1fk5A in training set Warning: unaligning (T0532)K56 (1fk5A)N64 because D (zeta) conformation "forbidden" or filtered. T0532 57 :SFIYDELL 1fk5A 65 :AGNAASIP Number of specific fragments extracted= 1 number of extra gaps= 1 total=23213 # 1sz9A.56.22 read from T0532.t2k.many.frag # found chain 1sz9A in template set Warning: unaligning (T0532)K56 (1sz9A)S23 because N (gamma') conformation "forbidden" or filtered. T0532 57 :SFIYDELL 1sz9A 24 :RPIITTLT Number of specific fragments extracted= 1 number of extra gaps= 1 total=23214 # 1gs9A.56.43 read from T0532.t2k.many.frag # found chain 1gs9A in training set T0532 56 :KSFIYDELL 1gs9A 44 :SEQVQEELL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23215 # 1esc.56.123 read from T0532.t2k.many.frag # found chain 1esc in template set Warning: unaligning (T0532)K56 (1esc)P124 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1esc)G129 because S (epsilon) conformation "forbidden" or filtered. T0532 57 :SFIY 1esc 125 :SLLP T0532 62 :ELL 1esc 130 :DPV Number of specific fragments extracted= 2 number of extra gaps= 2 total=23217 # 1i2aA.56.23 read from T0532.t2k.many.frag # found chain 1i2aA in template set T0532 56 :KSFIYDELL 1i2aA 24 :QSFEFIATL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23218 # 1j79A.56.72 read from T0532.t2k.many.frag # found chain 1j79A in training set Warning: unaligning (T0532)K56 (1j79A)T73 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1j79A)P74 because P (beta_P) conformation "forbidden" or filtered. T0532 58 :FIYDELL 1j79A 75 :LMTCYLT Number of specific fragments extracted= 1 number of extra gaps= 1 total=23219 # 1q2lA.56.153 read from T0532.t2k.many.frag # found chain 1q2lA in template set T0532 56 :KSFIYDELL 1q2lA 177 :DGMRMAQVS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23220 # 2a2cA.56.144 read from T0532.t2k.many.frag # found chain 2a2cA in template set Warning: unaligning (T0532)D61 (2a2cA)M130 because Y (epsilon') conformation "forbidden" or filtered. T0532 56 :KSFIY 2a2cA 125 :SNLTG T0532 62 :ELL 2a2cA 131 :NCL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23222 # 1m48A.56.31 read from T0532.t2k.many.frag # found chain 1m48A in template set T0532 56 :KSFIYDELL 1m48A 32 :KNPKLTRML Number of specific fragments extracted= 1 number of extra gaps= 0 total=23223 # 1u60A.56.24 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 Warning: unaligning (T0532)I59 (1u60A)D28 because G (3-10) conformation "forbidden" or filtered. T0532 56 :K 1u60A 25 :Q T0532 60 :YDELL 1u60A 29 :YIPFL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23225 # 1u7nA.56.172 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)S57 (1u7nA)N171 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)L64 (1u7nA)N178 because Y (epsilon') conformation "forbidden" or filtered. T0532 56 :K 1u7nA 170 :Q T0532 58 :FIYDEL 1u7nA 172 :PRVGLL Number of specific fragments extracted= 2 number of extra gaps= 2 total=23227 # 1ci4A.56.55 read from T0532.t2k.many.frag # found chain 1ci4A in template set T0532 56 :KSFIYDELL 1ci4A 56 :EDLFREWLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23228 # 2bhuA.56.270 read from T0532.t2k.many.frag # found chain 2bhuA in template set Warning: unaligning (T0532)K56 (2bhuA)G271 because Y (epsilon') conformation "forbidden" or filtered. T0532 57 :SFIYDELL 2bhuA 272 :LRLDATPY Number of specific fragments extracted= 1 number of extra gaps= 1 total=23229 # 1n62A.56.123 read from T0532.t2k.many.frag # found chain 1n62A in training set T0532 56 :KSFIYDELL 1n62A 124 :TEAEIRFGI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23230 # 1odzA.56.161 read from T0532.t2k.many.frag # found chain 1odzA in training set T0532 56 :KSFIYDELL 1odzA 199 :QGRLIPVIF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23231 1zb1A expands to /projects/compbio/data/pdb/1zb1.pdb.gz 1zb1A:# 1zb1A.56.40 read from T0532.t2k.many.frag # adding 1zb1A to template set # found chain 1zb1A in template set Warning: unaligning (T0532)F58 (1zb1A)F38 because G (3-10) conformation "forbidden" or filtered. T0532 56 :KS 1zb1A 36 :RT T0532 59 :IYDELL 1zb1A 39 :YDEKAT Number of specific fragments extracted= 2 number of extra gaps= 1 total=23233 # 2absA.56.289 read from T0532.t2k.many.frag # found chain 2absA in template set Warning: unaligning (T0532)K56 because of BadResidue code BAD_PEPTIDE in next template residue (2absA)A271 Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE at template residue (2absA)A271 T0532 58 :FIYDELL 2absA 272 :TKLVVMT Number of specific fragments extracted= 1 number of extra gaps= 1 total=23234 # 1gvhA.56.23 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 56 :KSFIYDELL 1gvhA 24 :LTAHFYDRM Number of specific fragments extracted= 1 number of extra gaps= 0 total=23235 # 1fkmA.56.78 read from T0532.t2k.many.frag # found chain 1fkmA in template set Warning: unaligning (T0532)K56 (1fkmA)Q326 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S57 (1fkmA)H327 because D (zeta) conformation "forbidden" or filtered. T0532 58 :FIYDELL 1fkmA 328 :SRDIPTW Number of specific fragments extracted= 1 number of extra gaps= 1 total=23236 1mvlA expands to /projects/compbio/data/pdb/1mvl.pdb.gz 1mvlA:# 1mvlA.56.48 read from T0532.t2k.many.frag # adding 1mvlA to template set # found chain 1mvlA in template set T0532 56 :KSFIYDELL 1mvlA 49 :RAVVTKSSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23237 # 1vjoA.56.82 read from T0532.t2k.many.frag # found chain 1vjoA in training set T0532 56 :KSFIYDELL 1vjoA 71 :ENPLTIAVS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23238 # 1mw5A.57.72 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 57 :SFIYDELLA 1mw5A 70 :WLNLDDALQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23239 # 1uxoA.57.90 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)D61 (1uxoA)I93 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1uxoA)I94 because E (beta_S) conformation "forbidden" or filtered. T0532 57 :SFIY 1uxoA 89 :ALGG T0532 63 :LLA 1uxoA 95 :LVS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23241 # 2baa.57.165 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)A65 (2baa)G174 because T (delta_L) conformation "forbidden" or filtered. T0532 57 :SFIYDELL 2baa 166 :PSSHAVIA Number of specific fragments extracted= 1 number of extra gaps= 1 total=23242 # 1jk0B.57.97 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jk0B)L100 T0532 60 :YDELLA 1jk0B 101 :IENFSA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23243 # 1bkrA.57.23 read from T0532.t2k.many.frag # found chain 1bkrA in training set T0532 57 :SFIYDELLA 1bkrA 24 :IHNFTTSWR Number of specific fragments extracted= 1 number of extra gaps= 0 total=23244 # 1es9A.57.41 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 57 :SFIYDELLA 1es9A 42 :VFIGDSLVQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23245 # 1nekA.57.304 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)S57 (1nekA)G305 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1nekA)H310 because Y (epsilon') conformation "forbidden" or filtered. T0532 58 :FIYD 1nekA 306 :PWGP T0532 63 :LLA 1nekA 311 :AKL Number of specific fragments extracted= 2 number of extra gaps= 2 total=23247 # 1sz9A.57.23 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 57 :SFIYDELLA 1sz9A 24 :RPIITTLTK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23248 # 1gs9A.57.44 read from T0532.t2k.many.frag # found chain 1gs9A in training set Warning: unaligning (T0532)A65 because of BadResidue code BAD_PEPTIDE in next template residue (1gs9A)S54 T0532 57 :SFIYDELL 1gs9A 45 :EQVQEELL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23249 # 1j79A.57.73 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 57 :SFIYDELLA 1j79A 74 :PLMTCYLTD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23250 # 1l9vA.57.95 read from T0532.t2k.many.frag # found chain 1l9vA in template set T0532 57 :SFIYDELLA 1l9vA 96 :ANVSNVLSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=23251 # 1esc.57.124 read from T0532.t2k.many.frag # found chain 1esc in template set Warning: unaligning (T0532)S57 (1esc)S125 because Y (epsilon') conformation "forbidden" or filtered. T0532 58 :FIYDELLA 1esc 126 :LLPGDPVD Number of specific fragments extracted= 1 number of extra gaps= 1 total=23252 # 1i2aA.57.24 read from T0532.t2k.many.frag # found chain 1i2aA in template set T0532 57 :SFIYDELLA 1i2aA 25 :SFEFIATLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23253 # 2erbA.57.69 read from T0532.t2k.many.frag # found chain 2erbA in template set T0532 57 :SFIYDELLA 2erbA 70 :DVHLEKLHD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23254 # 1fk5A.57.64 read from T0532.t2k.many.frag # found chain 1fk5A in training set T0532 57 :SFIYDELLA 1fk5A 65 :AGNAASIPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23255 # 1q2lA.57.154 read from T0532.t2k.many.frag # found chain 1q2lA in template set T0532 57 :SFIYDELLA 1q2lA 178 :GMRMAQVSA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23256 # 2bhuA.57.271 read from T0532.t2k.many.frag # found chain 2bhuA in template set Warning: unaligning (T0532)D61 (2bhuA)A276 because L (left) conformation "forbidden" or filtered. T0532 57 :SFIY 2bhuA 272 :LRLD T0532 62 :ELLA 2bhuA 277 :TPYM Number of specific fragments extracted= 2 number of extra gaps= 1 total=23258 # 1ci4A.57.56 read from T0532.t2k.many.frag # found chain 1ci4A in template set T0532 57 :SFIYDELLA 1ci4A 57 :DLFREWLKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23259 # 1mxrA.57.54 read from T0532.t2k.many.frag # found chain 1mxrA in training set Warning: unaligning (T0532)I59 (1mxrA)R57 because G (3-10) conformation "forbidden" or filtered. T0532 57 :SF 1mxrA 55 :VS T0532 60 :YDELLA 1mxrA 58 :DRIDYQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=23261 # 1mvlA.57.49 read from T0532.t2k.many.frag # found chain 1mvlA in template set T0532 57 :SFIYDELLA 1mvlA 50 :AVVTKSSLH Number of specific fragments extracted= 1 number of extra gaps= 0 total=23262 # 1m48A.57.32 read from T0532.t2k.many.frag # found chain 1m48A in template set T0532 57 :SFIYDELLA 1m48A 33 :NPKLTRMLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23263 # 1gvhA.57.24 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 57 :SFIYDELLA 1gvhA 25 :TAHFYDRMF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23264 # 1n62A.57.124 read from T0532.t2k.many.frag # found chain 1n62A in training set T0532 57 :SFIYDELLA 1n62A 125 :EAEIRFGIG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23265 # 1zb1A.57.41 read from T0532.t2k.many.frag # found chain 1zb1A in template set T0532 57 :SFIYDELLA 1zb1A 37 :TFYDEKATS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23266 # 1yiiA.57.189 read from T0532.t2k.many.frag # found chain 1yiiA in training set T0532 57 :SFIYDELLA 1yiiA 191 :EETFITILG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23267 # 1fkmA.57.79 read from T0532.t2k.many.frag # found chain 1fkmA in template set Warning: unaligning (T0532)S57 (1fkmA)H327 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)I59 (1fkmA)R329 because G (3-10) conformation "forbidden" or filtered. T0532 58 :F 1fkmA 328 :S T0532 60 :YDELLA 1fkmA 330 :DIPTWH Number of specific fragments extracted= 2 number of extra gaps= 2 total=23269 # 1va6A.57.97 read from T0532.t2k.many.frag # found chain 1va6A in template set T0532 57 :SFIYDELLA 1va6A 98 :RMWPLSMPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23270 # 1u60A.57.25 read from T0532.t2k.many.frag # found chain 1u60A in training set Warning: unaligning (T0532)S57 because of BadResidue code BAD_PEPTIDE in next template residue (1u60A)A27 Warning: unaligning (T0532)F58 because of BadResidue code BAD_PEPTIDE at template residue (1u60A)A27 Warning: unaligning (T0532)D61 (1u60A)I30 because E (beta_S) conformation "forbidden" or filtered. T0532 59 :IY 1u60A 28 :DY T0532 62 :ELLA 1u60A 31 :PFLA Number of specific fragments extracted= 2 number of extra gaps= 2 total=23272 # 1odzA.57.162 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)S57 (1odzA)G200 because T (delta_L) conformation "forbidden" or filtered. T0532 58 :FIYDELLA 1odzA 201 :RLIPVIFR Number of specific fragments extracted= 1 number of extra gaps= 1 total=23273 # 1kptA.57.33 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)Y60 (1kptA)G37 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1kptA)E38 because P (beta_P) conformation "forbidden" or filtered. T0532 57 :SFI 1kptA 34 :WCP T0532 62 :ELLA 1kptA 39 :RRAK Number of specific fragments extracted= 2 number of extra gaps= 1 total=23275 # 1mw5A.58.73 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 58 :FIYDELLAK 1mw5A 71 :LNLDDALQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23276 # 2baa.58.166 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)A65 (2baa)G174 because T (delta_L) conformation "forbidden" or filtered. T0532 58 :FIYDELL 2baa 167 :SSHAVIA T0532 66 :K 2baa 175 :Q Number of specific fragments extracted= 2 number of extra gaps= 1 total=23278 # 1uxoA.58.91 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)A65 (1uxoA)S97 because L (left) conformation "forbidden" or filtered. T0532 58 :FIYDELL 1uxoA 90 :LGGIILV T0532 66 :K 1uxoA 98 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=23280 # 1jk0B.58.98 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jk0B)L100 T0532 60 :YDELLAK 1jk0B 101 :IENFSAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23281 # 1es9A.58.42 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)Y60 (1es9A)G45 because Y (epsilon') conformation "forbidden" or filtered. T0532 58 :FI 1es9A 43 :FI T0532 61 :DELLAK 1es9A 46 :DSLVQL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23283 # 1bkrA.58.24 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)K66 (1bkrA)D33 because G (3-10) conformation "forbidden" or filtered. T0532 58 :FIYDELLA 1bkrA 25 :HNFTTSWR Number of specific fragments extracted= 1 number of extra gaps= 1 total=23284 # 1j79A.58.74 read from T0532.t2k.many.frag # found chain 1j79A in training set Warning: unaligning (T0532)K66 (1j79A)S83 because G (3-10) conformation "forbidden" or filtered. T0532 58 :FIYDELLA 1j79A 75 :LMTCYLTD Number of specific fragments extracted= 1 number of extra gaps= 1 total=23285 # 1esc.58.125 read from T0532.t2k.many.frag # found chain 1esc in template set T0532 58 :FIYDELLAK 1esc 126 :LLPGDPVDG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23286 # 1gs9A.58.45 read from T0532.t2k.many.frag # found chain 1gs9A in training set Warning: unaligning (T0532)A65 because of BadResidue code BAD_PEPTIDE in next template residue (1gs9A)S54 Warning: unaligning (T0532)K66 because of BadResidue code BAD_PEPTIDE at template residue (1gs9A)S54 T0532 58 :FIYDELL 1gs9A 46 :QVQEELL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23287 # 1nekA.58.305 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)Y60 (1nekA)G308 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)E62 (1nekA)H310 because Y (epsilon') conformation "forbidden" or filtered. T0532 58 :FI 1nekA 306 :PW T0532 61 :D 1nekA 309 :P T0532 63 :LLAK 1nekA 311 :AKLK Number of specific fragments extracted= 3 number of extra gaps= 2 total=23290 # 1mxrA.58.55 read from T0532.t2k.many.frag # found chain 1mxrA in training set Warning: unaligning (T0532)I59 (1mxrA)R57 because G (3-10) conformation "forbidden" or filtered. T0532 58 :F 1mxrA 56 :S T0532 60 :YDELLAK 1mxrA 58 :DRIDYQA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23292 # 1i2aA.58.25 read from T0532.t2k.many.frag # found chain 1i2aA in template set T0532 58 :FIYDELLAK 1i2aA 26 :FEFIATLKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23293 # 1sz9A.58.24 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 58 :FIYDELLAK 1sz9A 25 :PIITTLTKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23294 # 1l9vA.58.96 read from T0532.t2k.many.frag # found chain 1l9vA in template set Warning: unaligning (T0532)K66 (1l9vA)V105 because P (beta_P) conformation "forbidden" or filtered. T0532 58 :FIYDELLA 1l9vA 97 :NVSNVLSR Number of specific fragments extracted= 1 number of extra gaps= 1 total=23295 # 2bhuA.58.272 read from T0532.t2k.many.frag # found chain 2bhuA in template set Warning: unaligning (T0532)D61 (2bhuA)A276 because L (left) conformation "forbidden" or filtered. T0532 58 :FIY 2bhuA 273 :RLD T0532 62 :ELLAK 2bhuA 277 :TPYMT Number of specific fragments extracted= 2 number of extra gaps= 1 total=23297 # 1q2lA.58.155 read from T0532.t2k.many.frag # found chain 1q2lA in template set T0532 58 :FIYDELLAK 1q2lA 179 :MRMAQVSAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23298 # 2erbA.58.70 read from T0532.t2k.many.frag # found chain 2erbA in template set T0532 58 :FIYDELLAK 2erbA 71 :VHLEKLHDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23299 # 1mvlA.58.50 read from T0532.t2k.many.frag # found chain 1mvlA in template set T0532 58 :FIYDELLAK 1mvlA 51 :VVTKSSLHF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23300 # 1va6A.58.98 read from T0532.t2k.many.frag # found chain 1va6A in template set T0532 58 :FIYDELLAK 1va6A 99 :MWPLSMPSY Number of specific fragments extracted= 1 number of extra gaps= 0 total=23301 # 1ci4A.58.57 read from T0532.t2k.many.frag # found chain 1ci4A in template set T0532 58 :FIYDELLAK 1ci4A 58 :LFREWLKDT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23302 # 1gvhA.58.25 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 58 :FIYDELLAK 1gvhA 26 :AHFYDRMFT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23303 # 1yiiA.58.190 read from T0532.t2k.many.frag # found chain 1yiiA in training set T0532 58 :FIYDELLAK 1yiiA 192 :ETFITILGT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23304 # 1fk5A.58.65 read from T0532.t2k.many.frag # found chain 1fk5A in training set T0532 58 :FIYDELLAK 1fk5A 66 :GNAASIPSK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23305 # 1n62A.58.125 read from T0532.t2k.many.frag # found chain 1n62A in training set T0532 58 :FIYDELLAK 1n62A 126 :AEIRFGIGG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23306 2axtB expands to /projects/compbio/data/pdb/2axt.pdb.gz 2axtB:# 2axtB.58.35 read from T0532.t2k.many.frag # adding 2axtB to template set # found chain 2axtB in template set T0532 58 :FIYDELLAK 2axtB 36 :SMALYELAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23307 # 1l1lA.58.165 read from T0532.t2k.many.frag # found chain 1l1lA in training set T0532 58 :FIYDELLAK 1l1lA 166 :SVARSNISQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23308 # 1fkmA.58.80 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 58 :FIYDELLAK 1fkmA 328 :SRDIPTWHQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23309 2czlA expands to /projects/compbio/data/pdb/2czl.pdb.gz 2czlA:# 2czlA.58.209 read from T0532.t2k.many.frag # adding 2czlA to template set # found chain 2czlA in template set T0532 58 :FIYDELLAK 2czlA 210 :EALDYMRAH Number of specific fragments extracted= 1 number of extra gaps= 0 total=23310 # 1kptA.58.34 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)Y60 (1kptA)G37 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A65 (1kptA)K42 because Y (epsilon') conformation "forbidden" or filtered. T0532 58 :FI 1kptA 35 :CP T0532 61 :DELL 1kptA 38 :ERRA T0532 66 :K 1kptA 43 :V Number of specific fragments extracted= 3 number of extra gaps= 2 total=23313 # 1zb1A.58.42 read from T0532.t2k.many.frag # found chain 1zb1A in template set T0532 58 :FIYDELLAK 1zb1A 38 :FYDEKATSE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23314 # 1mw5A.59.74 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 59 :IYDELLAKQ 1mw5A 72 :NLDDALQAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=23315 # 2baa.59.167 read from T0532.t2k.many.frag # found chain 2baa in training set T0532 59 :IYDELLAKQ 2baa 168 :SHAVIAGQW Number of specific fragments extracted= 1 number of extra gaps= 0 total=23316 # 1jk0B.59.99 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)I59 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1jk0B)L100 T0532 60 :YDELLAKQ 1jk0B 101 :IENFSAQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23317 # 1uxoA.59.92 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)A65 (1uxoA)S97 because L (left) conformation "forbidden" or filtered. T0532 59 :IYDELL 1uxoA 91 :GGIILV T0532 66 :KQ 1uxoA 98 :GF Number of specific fragments extracted= 2 number of extra gaps= 1 total=23319 # 1es9A.59.43 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 59 :IYDELLAKQ 1es9A 44 :IGDSLVQLM Number of specific fragments extracted= 1 number of extra gaps= 0 total=23320 # 1bkrA.59.25 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)I59 (1bkrA)N26 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1bkrA)G34 because T (delta_L) conformation "forbidden" or filtered. T0532 60 :YDELLAK 1bkrA 27 :FTTSWRD Number of specific fragments extracted= 1 number of extra gaps= 2 total=23321 # 1j79A.59.75 read from T0532.t2k.many.frag # found chain 1j79A in training set Warning: unaligning (T0532)E62 (1j79A)Y79 because P (beta_P) conformation "forbidden" or filtered. T0532 59 :IYD 1j79A 76 :MTC T0532 63 :LLAKQ 1j79A 80 :LTDSL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23323 # 1esc.59.126 read from T0532.t2k.many.frag # found chain 1esc in template set Warning: unaligning (T0532)A65 (1esc)D133 because N (gamma') conformation "forbidden" or filtered. T0532 59 :IYDELL 1esc 127 :LPGDPV T0532 66 :KQ 1esc 134 :GD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23325 # 1mxrA.59.56 read from T0532.t2k.many.frag # found chain 1mxrA in training set T0532 59 :IYDELLAKQ 1mxrA 57 :RDRIDYQAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23326 # 1va6A.59.99 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)D61 (1va6A)L102 because E (beta_S) conformation "forbidden" or filtered. T0532 59 :IY 1va6A 100 :WP T0532 62 :ELLAKQ 1va6A 103 :SMPSYI Number of specific fragments extracted= 2 number of extra gaps= 1 total=23328 # 1gs9A.59.46 read from T0532.t2k.many.frag # found chain 1gs9A in training set Warning: unaligning (T0532)A65 because of BadResidue code BAD_PEPTIDE in next template residue (1gs9A)S54 Warning: unaligning (T0532)K66 because of BadResidue code BAD_PEPTIDE at template residue (1gs9A)S54 T0532 59 :IYDELL 1gs9A 47 :VQEELL T0532 67 :Q 1gs9A 55 :Q Number of specific fragments extracted= 2 number of extra gaps= 1 total=23330 # 2bhuA.59.273 read from T0532.t2k.many.frag # found chain 2bhuA in template set Warning: unaligning (T0532)D61 (2bhuA)A276 because L (left) conformation "forbidden" or filtered. T0532 59 :IY 2bhuA 274 :LD T0532 62 :ELLAKQ 2bhuA 277 :TPYMTD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23332 # 1l9vA.59.97 read from T0532.t2k.many.frag # found chain 1l9vA in template set T0532 59 :IYDELLAKQ 1l9vA 98 :VSNVLSRVV Number of specific fragments extracted= 1 number of extra gaps= 0 total=23333 # 1mvlA.59.51 read from T0532.t2k.many.frag # found chain 1mvlA in template set T0532 59 :IYDELLAKQ 1mvlA 52 :VTKSSLHFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23334 # 1i2aA.59.26 read from T0532.t2k.many.frag # found chain 1i2aA in template set Warning: unaligning (T0532)A65 (1i2aA)K33 because E (beta_S) conformation "forbidden" or filtered. T0532 59 :IYDELL 1i2aA 27 :EFIATL T0532 66 :KQ 1i2aA 34 :EI Number of specific fragments extracted= 2 number of extra gaps= 1 total=23336 # 1yiiA.59.191 read from T0532.t2k.many.frag # found chain 1yiiA in training set T0532 59 :IYDELLAKQ 1yiiA 193 :TFITILGTR Number of specific fragments extracted= 1 number of extra gaps= 0 total=23337 # 1q2lA.59.156 read from T0532.t2k.many.frag # found chain 1q2lA in template set T0532 59 :IYDELLAKQ 1q2lA 180 :RMAQVSAET Number of specific fragments extracted= 1 number of extra gaps= 0 total=23338 # 2axtB.59.36 read from T0532.t2k.many.frag # found chain 2axtB in template set T0532 59 :IYDELLAKQ 2axtB 37 :MALYELATF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23339 # 1gvhA.59.26 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 59 :IYDELLAKQ 1gvhA 27 :HFYDRMFTH Number of specific fragments extracted= 1 number of extra gaps= 0 total=23340 # 1ci4A.59.58 read from T0532.t2k.many.frag # found chain 1ci4A in template set T0532 59 :IYDELLAKQ 1ci4A 59 :FREWLKDTC Number of specific fragments extracted= 1 number of extra gaps= 0 total=23341 # 1l1lA.59.166 read from T0532.t2k.many.frag # found chain 1l1lA in training set Warning: unaligning (T0532)I59 (1l1lA)V167 because G (3-10) conformation "forbidden" or filtered. T0532 60 :YDELLAKQ 1l1lA 168 :ARSNISQI Number of specific fragments extracted= 1 number of extra gaps= 1 total=23342 # 2czlA.59.210 read from T0532.t2k.many.frag # found chain 2czlA in template set Warning: unaligning (T0532)Q67 (2czlA)A219 because D (zeta) conformation "forbidden" or filtered. T0532 59 :IYDELLAK 2czlA 211 :ALDYMRAH Number of specific fragments extracted= 1 number of extra gaps= 1 total=23343 1otvA expands to /projects/compbio/data/pdb/1otv.pdb.gz 1otvA:# 1otvA.59.141 read from T0532.t2k.many.frag # adding 1otvA to template set # found chain 1otvA in template set T0532 59 :IYDELLAKQ 1otvA 142 :CSSLTELFA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23344 # 2erbA.59.71 read from T0532.t2k.many.frag # found chain 2erbA in template set T0532 59 :IYDELLAKQ 2erbA 72 :HLEKLHDSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23345 # 1nekA.59.306 read from T0532.t2k.many.frag # found chain 1nekA in template set Warning: unaligning (T0532)Y60 (1nekA)G308 because S (epsilon) conformation "forbidden" or filtered. T0532 59 :I 1nekA 307 :W T0532 61 :DELLAKQ 1nekA 309 :PHAKLKL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23347 # 1n62A.59.126 read from T0532.t2k.many.frag # found chain 1n62A in training set T0532 59 :IYDELLAKQ 1n62A 127 :EIRFGIGGN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23348 1colA expands to /projects/compbio/data/pdb/1col.pdb.gz 1colA:# 1colA.59.54 read from T0532.t2k.many.frag # adding 1colA to template set # found chain 1colA in template set T0532 59 :IYDELLAKQ 1colA 55 :SFDDAMASL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23349 # 1fkmA.59.81 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 59 :IYDELLAKQ 1fkmA 329 :RDIPTWHQI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23350 # 1kptA.59.35 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)Y60 (1kptA)G37 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)D61 (1kptA)E38 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1kptA)C44 because P (beta_P) conformation "forbidden" or filtered. T0532 59 :I 1kptA 36 :P T0532 62 :ELLAK 1kptA 39 :RRAKV Number of specific fragments extracted= 2 number of extra gaps= 2 total=23352 # 1sz9A.59.25 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 59 :IYDELLAKQ 1sz9A 26 :IITTLTKLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23353 # 1mw5A.60.75 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 60 :YDELLAKQM 1mw5A 73 :LDDALQAVV Number of specific fragments extracted= 1 number of extra gaps= 0 total=23354 # 2baa.60.168 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)A65 (2baa)G174 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (2baa)W176 because E (beta_S) conformation "forbidden" or filtered. T0532 60 :YDELL 2baa 169 :HAVIA T0532 66 :K 2baa 175 :Q T0532 68 :M 2baa 177 :S Number of specific fragments extracted= 3 number of extra gaps= 2 total=23357 # 1jk0B.60.100 read from T0532.t2k.many.frag # found chain 1jk0B in template set T0532 60 :YDELLAKQM 1jk0B 101 :IENFSAQLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23358 # 1uxoA.60.93 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)K66 (1uxoA)G98 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1uxoA)F99 because Y (epsilon') conformation "forbidden" or filtered. T0532 60 :YDELLA 1uxoA 92 :GIILVS T0532 68 :M 1uxoA 100 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=23360 # 1j79A.60.76 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 60 :YDELLAKQM 1j79A 77 :TCYLTDSLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23361 # 1es9A.60.44 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)M68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1es9A)Q54 T0532 60 :YDELLAKQ 1es9A 45 :GDSLVQLM Number of specific fragments extracted= 1 number of extra gaps= 1 total=23362 # 1esc.60.127 read from T0532.t2k.many.frag # found chain 1esc in template set Warning: unaligning (T0532)M68 (1esc)E136 because P (beta_P) conformation "forbidden" or filtered. T0532 60 :YDELLAKQ 1esc 128 :PGDPVDGD Number of specific fragments extracted= 1 number of extra gaps= 1 total=23363 # 1bkrA.60.26 read from T0532.t2k.many.frag # found chain 1bkrA in training set Warning: unaligning (T0532)Q67 (1bkrA)G34 because T (delta_L) conformation "forbidden" or filtered. T0532 60 :YDELLAK 1bkrA 27 :FTTSWRD T0532 68 :M 1bkrA 35 :M Number of specific fragments extracted= 2 number of extra gaps= 1 total=23365 # 1mxrA.60.57 read from T0532.t2k.many.frag # found chain 1mxrA in training set Warning: unaligning (T0532)M68 (1mxrA)P66 because P (beta_P) conformation "forbidden" or filtered. T0532 60 :YDELLAKQ 1mxrA 58 :DRIDYQAL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23366 # 1va6A.60.100 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)K66 (1va6A)Y107 because G (3-10) conformation "forbidden" or filtered. T0532 60 :YDELLA 1va6A 101 :PLSMPS T0532 67 :QM 1va6A 108 :IA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23368 # 1colA.60.55 read from T0532.t2k.many.frag # found chain 1colA in template set T0532 60 :YDELLAKQM 1colA 56 :FDDAMASLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23369 # 2bhuA.60.274 read from T0532.t2k.many.frag # found chain 2bhuA in template set T0532 60 :YDELLAKQM 2bhuA 275 :DATPYMTDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23370 # 1otvA.60.142 read from T0532.t2k.many.frag # found chain 1otvA in template set T0532 60 :YDELLAKQM 1otvA 143 :SSLTELFAP Number of specific fragments extracted= 1 number of extra gaps= 0 total=23371 # 1yiiA.60.192 read from T0532.t2k.many.frag # found chain 1yiiA in training set T0532 60 :YDELLAKQM 1yiiA 194 :FITILGTRS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23372 # 1mvlA.60.52 read from T0532.t2k.many.frag # found chain 1mvlA in template set T0532 60 :YDELLAKQM 1mvlA 53 :TKSSLHFLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23373 # 2czlA.60.211 read from T0532.t2k.many.frag # found chain 2czlA in template set T0532 60 :YDELLAKQM 2czlA 212 :LDYMRAHAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23374 # 2axtB.60.37 read from T0532.t2k.many.frag # found chain 2axtB in template set T0532 60 :YDELLAKQM 2axtB 38 :ALYELATFD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23375 # 1gs9A.60.47 read from T0532.t2k.many.frag # found chain 1gs9A in training set Warning: unaligning (T0532)A65 because of BadResidue code BAD_PEPTIDE in next template residue (1gs9A)S54 Warning: unaligning (T0532)K66 because of BadResidue code BAD_PEPTIDE at template residue (1gs9A)S54 T0532 60 :YDELL 1gs9A 48 :QEELL T0532 67 :QM 1gs9A 55 :QV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23377 # 1l1lA.60.167 read from T0532.t2k.many.frag # found chain 1l1lA in training set Warning: unaligning (T0532)Q67 (1l1lA)I175 because P (beta_P) conformation "forbidden" or filtered. T0532 60 :YDELLAK 1l1lA 168 :ARSNISQ T0532 68 :M 1l1lA 176 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=23379 # 1l9vA.60.98 read from T0532.t2k.many.frag # found chain 1l9vA in template set Warning: unaligning (T0532)K66 (1l9vA)V105 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1l9vA)S107 because P (beta_P) conformation "forbidden" or filtered. T0532 60 :YDELLA 1l9vA 99 :SNVLSR T0532 67 :Q 1l9vA 106 :V Number of specific fragments extracted= 2 number of extra gaps= 2 total=23381 # 1ci4A.60.59 read from T0532.t2k.many.frag # found chain 1ci4A in template set Warning: unaligning (T0532)M68 (1ci4A)G68 because L (left) conformation "forbidden" or filtered. T0532 60 :YDELLAKQ 1ci4A 60 :REWLKDTC Number of specific fragments extracted= 1 number of extra gaps= 1 total=23382 # 1gvhA.60.27 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 60 :YDELLAKQM 1gvhA 28 :FYDRMFTHN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23383 # 1q2lA.60.157 read from T0532.t2k.many.frag # found chain 1q2lA in template set T0532 60 :YDELLAKQM 1q2lA 181 :MAQVSAETI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23384 # 1ppjB.60.178 read from T0532.t2k.many.frag # found chain 1ppjB in template set Warning: unaligning (T0532)A65 (1ppjB)G184 because T (delta_L) conformation "forbidden" or filtered. T0532 60 :YDELL 1ppjB 179 :PDYRI T0532 66 :KQM 1ppjB 185 :KVT Number of specific fragments extracted= 2 number of extra gaps= 1 total=23386 # 1n62A.60.127 read from T0532.t2k.many.frag # found chain 1n62A in training set T0532 60 :YDELLAKQM 1n62A 128 :IRFGIGGNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23387 # 1fkmA.60.82 read from T0532.t2k.many.frag # found chain 1fkmA in template set T0532 60 :YDELLAKQM 1fkmA 330 :DIPTWHQIE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23388 # 2erbA.60.72 read from T0532.t2k.many.frag # found chain 2erbA in template set T0532 60 :YDELLAKQM 2erbA 73 :LEKLHDSLP Number of specific fragments extracted= 1 number of extra gaps= 0 total=23389 # 1i2aA.60.27 read from T0532.t2k.many.frag # found chain 1i2aA in template set Warning: unaligning (T0532)D61 (1i2aA)I29 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)K66 (1i2aA)E34 because L (left) conformation "forbidden" or filtered. T0532 60 :Y 1i2aA 28 :F T0532 62 :ELLA 1i2aA 30 :ATLK T0532 67 :QM 1i2aA 35 :ID Number of specific fragments extracted= 3 number of extra gaps= 2 total=23392 1wzdA expands to /projects/compbio/data/pdb/1wzd.pdb.gz 1wzdA:Skipped atom 182, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 213, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 219, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 585, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 587, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 589, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 596, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 598, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 717, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 719, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 721, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 723, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 725, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 727, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 831, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 833, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 835, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 870, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 872, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 874, because occupancy 0.500 <= existing 0.500 in 1wzdA Skipped atom 876, because occupancy 0.500 <= existing 0.500 in 1wzdA # 1wzdA.60.143 read from T0532.t2k.many.frag # adding 1wzdA to template set # found chain 1wzdA in template set Warning: unaligning (T0532)M68 (1wzdA)G152 because L (left) conformation "forbidden" or filtered. T0532 60 :YDELLAKQ 1wzdA 144 :ARMMQRHY Number of specific fragments extracted= 1 number of extra gaps= 1 total=23393 # 1kptA.60.36 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)A65 (1kptA)K42 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1kptA)G45 because Y (epsilon') conformation "forbidden" or filtered. T0532 60 :YDELL 1kptA 37 :GERRA T0532 66 :KQ 1kptA 43 :VC Number of specific fragments extracted= 2 number of extra gaps= 2 total=23395 # 1mw5A.61.76 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)M68 (1mw5A)V81 because P (beta_P) conformation "forbidden" or filtered. T0532 61 :DELLAKQ 1mw5A 74 :DDALQAV T0532 69 :A 1mw5A 82 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=23397 # 1uxoA.61.94 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)A65 (1uxoA)S97 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1uxoA)F99 because Y (epsilon') conformation "forbidden" or filtered. T0532 61 :DELL 1uxoA 93 :IILV T0532 66 :K 1uxoA 98 :G T0532 68 :MA 1uxoA 100 :AK Number of specific fragments extracted= 3 number of extra gaps= 2 total=23400 # 1va6A.61.101 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)K66 (1va6A)Y107 because G (3-10) conformation "forbidden" or filtered. T0532 61 :DELLA 1va6A 102 :LSMPS T0532 67 :QMA 1va6A 108 :IAE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23402 # 1jk0B.61.101 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)A69 (1jk0B)N110 because Y (epsilon') conformation "forbidden" or filtered. T0532 61 :DELLAKQM 1jk0B 102 :ENFSAQLQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=23403 # 1gvhA.61.28 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 61 :DELLAKQMA 1gvhA 29 :YDRMFTHNP Number of specific fragments extracted= 1 number of extra gaps= 0 total=23404 # 2baa.61.169 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)A65 (2baa)G174 because T (delta_L) conformation "forbidden" or filtered. T0532 61 :DELL 2baa 170 :AVIA T0532 66 :KQMA 2baa 175 :QWSP Number of specific fragments extracted= 2 number of extra gaps= 1 total=23406 # 1esc.61.128 read from T0532.t2k.many.frag # found chain 1esc in template set Warning: unaligning (T0532)A65 (1esc)D133 because N (gamma') conformation "forbidden" or filtered. T0532 61 :DELL 1esc 129 :GDPV T0532 66 :KQMA 1esc 134 :GDEP Number of specific fragments extracted= 2 number of extra gaps= 1 total=23408 # 1odzA.61.166 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)E62 (1odzA)V205 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1odzA)Y210 because L (left) conformation "forbidden" or filtered. T0532 61 :D 1odzA 204 :P T0532 63 :LLAK 1odzA 206 :IFRL T0532 68 :MA 1odzA 211 :HE Number of specific fragments extracted= 3 number of extra gaps= 2 total=23411 # 1es9A.61.45 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)M68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1es9A)Q54 Warning: unaligning (T0532)A69 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1es9A)Q54 T0532 61 :DELLAKQ 1es9A 46 :DSLVQLM Number of specific fragments extracted= 1 number of extra gaps= 1 total=23412 1n2sA expands to /projects/compbio/data/pdb/1n2s.pdb.gz 1n2sA:# 1n2sA.61.99 read from T0532.t2k.many.frag # adding 1n2sA to template set # found chain 1n2sA in template set Warning: unaligning (T0532)L64 (1n2sA)S103 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1n2sA)F108 because E (beta_S) conformation "forbidden" or filtered. T0532 61 :DEL 1n2sA 100 :VHY T0532 65 :AKQM 1n2sA 104 :TDYV Number of specific fragments extracted= 2 number of extra gaps= 2 total=23414 # 1wzdA.61.144 read from T0532.t2k.many.frag # found chain 1wzdA in template set Warning: unaligning (T0532)M68 (1wzdA)G152 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1wzdA)V153 because P (beta_P) conformation "forbidden" or filtered. T0532 61 :DELLAKQ 1wzdA 145 :RMMQRHY Number of specific fragments extracted= 1 number of extra gaps= 1 total=23415 # 1eerA.61.34 read from T0532.t2k.many.frag # found chain 1eerA in template set Warning: unaligning (T0532)A65 (1eerA)I39 because P (beta_P) conformation "forbidden" or filtered. T0532 61 :DELL 1eerA 35 :LNEK T0532 66 :KQMA 1eerA 40 :TVPD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23417 # 1kptA.61.37 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)D61 (1kptA)E38 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)A65 (1kptA)K42 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1kptA)G45 because Y (epsilon') conformation "forbidden" or filtered. T0532 62 :ELL 1kptA 39 :RRA T0532 66 :KQ 1kptA 43 :VC T0532 69 :A 1kptA 46 :T Number of specific fragments extracted= 3 number of extra gaps= 3 total=23420 # 1otvA.61.143 read from T0532.t2k.many.frag # found chain 1otvA in template set T0532 61 :DELLAKQMA 1otvA 144 :SLTELFAPQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23421 1lddA expands to /projects/compbio/data/pdb/1ldd.pdb.gz 1lddA:# 1lddA.61.28 read from T0532.t2k.many.frag # adding 1lddA to template set # found chain 1lddA in template set T0532 61 :DELLAKQMA 1lddA 801 :HSFLKITVP Number of specific fragments extracted= 1 number of extra gaps= 0 total=23422 1nv8A expands to /projects/compbio/data/pdb/1nv8.pdb.gz 1nv8A:Skipped atom 799, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 801, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 803, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 805, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 807, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1195, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1197, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1199, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1201, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1626, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1628, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1630, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1632, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1634, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1778, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1780, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1782, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1784, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1786, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1788, because occupancy 0.500 <= existing 0.500 in 1nv8A Skipped atom 1790, because occupancy 0.500 <= existing 0.500 in 1nv8A # 1nv8A.61.38 read from T0532.t2k.many.frag # adding 1nv8A to template set # found chain 1nv8A in template set T0532 61 :DELLAKQMA 1nv8A 37 :LLIVSRVLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23423 # 1j79A.61.77 read from T0532.t2k.many.frag # found chain 1j79A in training set Warning: unaligning (T0532)M68 (1j79A)D85 because P (beta_P) conformation "forbidden" or filtered. T0532 61 :DELLAKQ 1j79A 78 :CYLTDSL T0532 69 :A 1j79A 86 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=23425 # 1u7nA.61.125 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)D61 (1u7nA)M123 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1u7nA)E131 because D (zeta) conformation "forbidden" or filtered. T0532 62 :ELLAKQ 1u7nA 124 :STLPVM Number of specific fragments extracted= 1 number of extra gaps= 2 total=23426 1nigA expands to /projects/compbio/data/pdb/1nig.pdb.gz 1nigA:Skipped atom 144, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 146, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 148, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 309, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 311, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 338, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 340, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 342, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 344, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 346, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 359, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 361, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 363, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 365, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 367, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 369, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 371, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 393, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 395, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 397, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 399, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 401, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 403, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 405, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 411, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 413, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 415, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 417, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 419, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 425, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 427, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 429, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 431, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 570, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 572, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 713, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 715, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 717, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 723, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 725, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 727, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 729, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 731, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 743, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 745, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 749, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 755, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 757, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 759, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 761, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 763, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 765, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 767, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 769, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 771, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 773, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 775, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 777, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 779, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 781, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 783, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 785, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 787, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 789, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 791, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 793, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 795, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 797, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 897, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 899, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 987, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 989, because occupancy 0.000 <= existing 0.500 in 1nigA Skipped atom 991, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 993, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 995, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 997, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 999, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1022, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1024, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1026, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1028, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1030, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1118, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1120, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1122, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1124, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1126, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1163, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1165, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1167, because occupancy 0.500 <= existing 0.500 in 1nigA Skipped atom 1169, because occupancy 0.500 <= existing 0.500 in 1nigA # 1nigA.61.72 read from T0532.t2k.many.frag # adding 1nigA to template set # found chain 1nigA in template set T0532 61 :DELLAKQMA 1nigA 73 :EKRLNFTEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23427 # 1mxrA.61.58 read from T0532.t2k.many.frag # found chain 1mxrA in training set Warning: unaligning (T0532)Q67 (1mxrA)L65 because P (beta_P) conformation "forbidden" or filtered. T0532 61 :DELLAK 1mxrA 59 :RIDYQA T0532 68 :MA 1mxrA 66 :PE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23429 # 1mvlA.61.53 read from T0532.t2k.many.frag # found chain 1mvlA in template set T0532 61 :DELLAKQMA 1mvlA 54 :KSSLHFLDK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23430 # 1xmtA.61.76 read from T0532.t2k.many.frag # found chain 1xmtA in training set T0532 61 :DELLAKQMA 1xmtA 77 :SYVSDTFLP Number of specific fragments extracted= 1 number of extra gaps= 0 total=23431 # 2czlA.61.212 read from T0532.t2k.many.frag # found chain 2czlA in template set Warning: unaligning (T0532)A69 (2czlA)E221 because G (3-10) conformation "forbidden" or filtered. T0532 61 :DELLAKQM 2czlA 213 :DYMRAHAQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=23432 1bea expands to /projects/compbio/data/pdb/1bea.pdb.gz 1bea:Warning: there is no chain 1bea will retry with 1beaA Skipped atom 36, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 38, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 40, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 42, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 44, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 46, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 48, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 50, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 52, because occupancy 0.250 <= existing 0.750 in 1bea Skipped atom 54, because occupancy 0.250 <= existing 0.750 in 1bea # 1bea.61.59 read from T0532.t2k.many.frag # adding 1bea to template set # found chain 1bea in template set Warning: unaligning (T0532)A69 (1bea)I68 because D (zeta) conformation "forbidden" or filtered. T0532 61 :DELLAKQM 1bea 60 :LSILMDGA Number of specific fragments extracted= 1 number of extra gaps= 1 total=23433 # 1jfxA.61.94 read from T0532.t2k.many.frag # found chain 1jfxA in training set Warning: unaligning (T0532)K66 (1jfxA)E100 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1jfxA)N102 because P (beta_P) conformation "forbidden" or filtered. T0532 61 :DELLA 1jfxA 95 :GVLDI T0532 67 :Q 1jfxA 101 :H T0532 69 :A 1jfxA 103 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=23436 1efdN expands to /projects/compbio/data/pdb/1efd.pdb.gz 1efdN:# 1efdN.61.32 read from T0532.t2k.many.frag # adding 1efdN to template set # found chain 1efdN in template set T0532 61 :DELLAKQMA 1efdN 63 :INYRLWVSE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23437 2blnA expands to /projects/compbio/data/pdb/2bln.pdb.gz 2blnA:Skipped atom 132, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 134, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 205, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 503, because occupancy 0.250 <= existing 0.750 in 2blnA Skipped atom 504, because occupancy 0.250 <= existing 0.750 in 2blnA Skipped atom 505, because occupancy 0.250 <= existing 0.750 in 2blnA Skipped atom 506, because occupancy 0.250 <= existing 0.750 in 2blnA Skipped atom 507, because occupancy 0.250 <= existing 0.750 in 2blnA Skipped atom 508, because occupancy 0.250 <= existing 0.750 in 2blnA Skipped atom 509, because occupancy 0.250 <= existing 0.750 in 2blnA Skipped atom 739, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 740, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 741, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 1306, because occupancy 0.400 <= existing 0.600 in 2blnA Skipped atom 1307, because occupancy 0.400 <= existing 0.600 in 2blnA Skipped atom 1308, because occupancy 0.400 <= existing 0.600 in 2blnA Skipped atom 1309, because occupancy 0.400 <= existing 0.600 in 2blnA Skipped atom 1310, because occupancy 0.400 <= existing 0.600 in 2blnA Skipped atom 1513, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 1581, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 1582, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 1583, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 1669, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 1711, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 1712, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 2006, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 2199, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 2200, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 2201, because occupancy 0.500 <= existing 0.500 in 2blnA Skipped atom 2202, because occupancy 0.500 <= existing 0.500 in 2blnA # 2blnA.61.191 read from T0532.t2k.many.frag # adding 2blnA to template set # found chain 2blnA in template set Warning: unaligning (T0532)Q67 (2blnA)F198 because E (beta_S) conformation "forbidden" or filtered. T0532 61 :DELLAK 2blnA 192 :ENEATC T0532 68 :MA 2blnA 199 :GR Number of specific fragments extracted= 2 number of extra gaps= 1 total=23439 # 1r29A.61.103 read from T0532.t2k.many.frag # found chain 1r29A in training set Warning: unaligning (T0532)M68 (1r29A)Q113 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1r29A)M114 because D (zeta) conformation "forbidden" or filtered. T0532 61 :DELLAKQ 1r29A 106 :MATAMYL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23440 # 1szqA.61.197 read from T0532.t2k.many.frag # found chain 1szqA in template set T0532 61 :DELLAKQMA 1szqA 198 :VSLAWVDGQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23441 # 1u60A.61.29 read from T0532.t2k.many.frag # found chain 1u60A in training set T0532 61 :DELLAKQMA 1u60A 30 :IPFLANVPG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23442 # 1va6A.62.102 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)M68 (1va6A)A109 because P (beta_P) conformation "forbidden" or filtered. T0532 62 :ELLAKQ 1va6A 103 :SMPSYI T0532 69 :AW 1va6A 110 :EG Number of specific fragments extracted= 2 number of extra gaps= 1 total=23444 # 1uxoA.62.95 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)A65 (1uxoA)S97 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1uxoA)F99 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1uxoA)K101 because Y (epsilon') conformation "forbidden" or filtered. T0532 62 :ELL 1uxoA 94 :ILV T0532 66 :K 1uxoA 98 :G T0532 68 :M 1uxoA 100 :A T0532 70 :W 1uxoA 102 :S Number of specific fragments extracted= 4 number of extra gaps= 3 total=23448 # 1gvhA.62.29 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 62 :ELLAKQMAW 1gvhA 30 :DRMFTHNPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23449 # 1mw5A.62.77 read from T0532.t2k.many.frag # found chain 1mw5A in template set T0532 62 :ELLAKQMAW 1mw5A 75 :DALQAVVGN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23450 # 1odzA.62.167 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)K66 (1odzA)L209 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1odzA)Y210 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1odzA)E212 because L (left) conformation "forbidden" or filtered. T0532 62 :ELLA 1odzA 205 :VIFR T0532 68 :M 1odzA 211 :H T0532 70 :W 1odzA 213 :N Number of specific fragments extracted= 3 number of extra gaps= 2 total=23453 # 1u7nA.62.126 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)M68 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1u7nA)E131 because D (zeta) conformation "forbidden" or filtered. T0532 62 :ELLAKQ 1u7nA 124 :STLPVM T0532 70 :W 1u7nA 132 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=23455 # 1eerA.62.35 read from T0532.t2k.many.frag # found chain 1eerA in template set Warning: unaligning (T0532)E62 (1eerA)N36 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)L63 (1eerA)E37 because Y (epsilon') conformation "forbidden" or filtered. T0532 64 :LAKQMAW 1eerA 38 :KITVPDT Number of specific fragments extracted= 1 number of extra gaps= 1 total=23456 # 1nv8A.62.39 read from T0532.t2k.many.frag # found chain 1nv8A in template set T0532 62 :ELLAKQMAW 1nv8A 38 :LIVSRVLGI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23457 # 1n2sA.62.100 read from T0532.t2k.many.frag # found chain 1n2sA in template set Warning: unaligning (T0532)E62 (1n2sA)H101 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)L64 (1n2sA)S103 because Y (epsilon') conformation "forbidden" or filtered. T0532 63 :L 1n2sA 102 :Y T0532 65 :AKQMAW 1n2sA 104 :TDYVFP Number of specific fragments extracted= 2 number of extra gaps= 2 total=23459 # 1jk0B.62.102 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)A69 (1jk0B)N110 because Y (epsilon') conformation "forbidden" or filtered. T0532 62 :ELLAKQM 1jk0B 103 :NFSAQLQ T0532 70 :W 1jk0B 111 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=23461 # 1esc.62.129 read from T0532.t2k.many.frag # found chain 1esc in template set Warning: unaligning (T0532)M68 (1esc)E136 because P (beta_P) conformation "forbidden" or filtered. T0532 62 :ELLAKQ 1esc 130 :DPVDGD T0532 69 :AW 1esc 137 :PA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23463 # 1otvA.62.144 read from T0532.t2k.many.frag # found chain 1otvA in template set Warning: unaligning (T0532)W70 (1otvA)I153 because L (left) conformation "forbidden" or filtered. T0532 62 :ELLAKQMA 1otvA 145 :LTELFAPQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=23464 # 1kptA.62.38 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)A65 (1kptA)K42 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)K66 (1kptA)V43 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1kptA)G47 because T (delta_L) conformation "forbidden" or filtered. T0532 62 :ELL 1kptA 39 :RRA T0532 67 :QMA 1kptA 44 :CGT Number of specific fragments extracted= 2 number of extra gaps= 2 total=23466 # 1wxcA.62.38 read from T0532.t2k.many.frag # found chain 1wxcA in template set T0532 62 :ELLAKQMAW 1wxcA 39 :NEFIMSDTD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23467 # 1wzdA.62.145 read from T0532.t2k.many.frag # found chain 1wzdA in template set Warning: unaligning (T0532)M68 (1wzdA)G152 because L (left) conformation "forbidden" or filtered. T0532 62 :ELLAKQ 1wzdA 146 :MMQRHY T0532 69 :AW 1wzdA 153 :VD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23469 # 1lddA.62.29 read from T0532.t2k.many.frag # found chain 1lddA in template set T0532 62 :ELLAKQMAW 1lddA 802 :SFLKITVPK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23470 # 1xmtA.62.77 read from T0532.t2k.many.frag # found chain 1xmtA in training set T0532 62 :ELLAKQMAW 1xmtA 78 :YVSDTFLPR Number of specific fragments extracted= 1 number of extra gaps= 0 total=23471 # 1es9A.62.46 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)M68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1es9A)Q54 Warning: unaligning (T0532)A69 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1es9A)Q54 Warning: unaligning (T0532)W70 because of BadResidue code BAD_PEPTIDE at template residue (1es9A)C55 T0532 62 :ELLAKQ 1es9A 47 :SLVQLM Number of specific fragments extracted= 1 number of extra gaps= 1 total=23472 # 1efdN.62.33 read from T0532.t2k.many.frag # found chain 1efdN in template set Warning: unaligning (T0532)M68 (1efdN)S70 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1efdN)E71 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1efdN)P72 because L (left) conformation "forbidden" or filtered. T0532 62 :ELLAKQ 1efdN 64 :NYRLWV Number of specific fragments extracted= 1 number of extra gaps= 1 total=23473 # 1nigA.62.73 read from T0532.t2k.many.frag # found chain 1nigA in template set T0532 62 :ELLAKQMAW 1nigA 74 :KRLNFTEED Number of specific fragments extracted= 1 number of extra gaps= 0 total=23474 # 1jfxA.62.95 read from T0532.t2k.many.frag # found chain 1jfxA in training set T0532 62 :ELLAKQMAW 1jfxA 96 :VLDIEHNPS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23475 # 1szqA.62.198 read from T0532.t2k.many.frag # found chain 1szqA in template set Warning: unaligning (T0532)W70 (1szqA)S207 because P (beta_P) conformation "forbidden" or filtered. T0532 62 :ELLAKQMA 1szqA 199 :SLAWVDGQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=23476 2bk9A expands to /projects/compbio/data/pdb/2bk9.pdb.gz 2bk9A:Skipped atom 45, because occupancy 0.350 <= existing 0.650 in 2bk9A Skipped atom 46, because occupancy 0.350 <= existing 0.650 in 2bk9A Skipped atom 129, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 130, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 131, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 132, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 161, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 162, because occupancy 0.350 <= existing 0.650 in 2bk9A Skipped atom 454, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 455, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 456, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 457, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 654, because occupancy 0.300 <= existing 0.700 in 2bk9A Skipped atom 655, because occupancy 0.300 <= existing 0.700 in 2bk9A Skipped atom 656, because occupancy 0.300 <= existing 0.700 in 2bk9A Skipped atom 657, because occupancy 0.300 <= existing 0.700 in 2bk9A Skipped atom 1002, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 1003, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 1004, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 1005, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 1006, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 1007, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 1008, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 2081, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 2082, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 2083, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 2084, because occupancy 0.500 <= existing 0.500 in 2bk9A Skipped atom 2085, because occupancy 0.500 <= existing 0.500 in 2bk9A # 2bk9A.62.29 read from T0532.t2k.many.frag # adding 2bk9A to template set # found chain 2bk9A in template set T0532 62 :ELLAKQMAW 2bk9A 30 :QFFNRFPSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23477 # 1bea.62.60 read from T0532.t2k.many.frag # found chain 1bea in template set Warning: unaligning (T0532)K66 (1bea)D65 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1bea)I68 because D (zeta) conformation "forbidden" or filtered. T0532 62 :ELLA 1bea 61 :SILM T0532 67 :QM 1bea 66 :GA T0532 70 :W 1bea 69 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=23480 # 2baa.62.170 read from T0532.t2k.many.frag # found chain 2baa in training set Warning: unaligning (T0532)Q67 (2baa)W176 because E (beta_S) conformation "forbidden" or filtered. T0532 62 :ELLAK 2baa 171 :VIAGQ T0532 68 :MAW 2baa 177 :SPS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23482 # 2blnA.62.192 read from T0532.t2k.many.frag # found chain 2blnA in template set Warning: unaligning (T0532)W70 because of BadResidue code BAD_PEPTIDE in next template residue (2blnA)T202 T0532 62 :ELLAKQMA 2blnA 193 :NEATCFGR Number of specific fragments extracted= 1 number of extra gaps= 1 total=23483 # 2czlA.62.213 read from T0532.t2k.many.frag # found chain 2czlA in template set T0532 62 :ELLAKQMAW 2czlA 214 :YMRAHAQEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23484 # 1dc1A.62.47 read from T0532.t2k.many.frag # found chain 1dc1A in training set T0532 62 :ELLAKQMAW 1dc1A 48 :ALKVAASVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23485 # 3seb.62.184 read from T0532.t2k.many.frag # found chain 3seb in training set T0532 62 :ELLAKQMAW 3seb 185 :GYIKFIENE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23486 1zk4A expands to /projects/compbio/data/pdb/1zk4.pdb.gz 1zk4A:Skipped atom 27, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 29, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 31, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 33, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 35, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 37, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 39, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 41, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 43, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 45, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 47, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 49, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 51, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 53, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 55, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 57, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 59, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 61, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 63, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 65, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 210, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 212, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 214, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 216, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 218, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 220, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 222, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 224, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 226, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 486, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 488, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 490, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 492, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 494, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 496, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 597, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 599, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 601, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 603, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 605, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 607, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 609, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 611, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 613, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 615, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 617, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 619, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 621, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 623, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 625, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 627, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 629, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 740, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 742, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 749, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 755, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 757, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 759, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 761, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 763, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 765, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1012, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1014, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1023, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1025, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1027, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1029, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1031, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1033, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1035, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1037, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1039, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1041, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1102, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1104, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1106, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1108, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1110, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1112, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1114, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1116, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1118, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1120, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1122, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1124, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1126, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1128, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1130, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1132, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1134, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1136, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1138, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1140, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1142, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1144, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1146, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1148, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1150, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1152, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1154, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1156, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1158, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1160, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1162, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1164, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1166, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1168, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1170, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1172, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1174, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1176, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1178, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1180, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1182, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1184, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1186, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1188, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1332, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1334, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1340, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1342, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1344, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1346, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1348, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1350, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1352, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1354, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1356, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1358, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1527, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1529, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1531, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1533, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1535, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1537, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1539, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1541, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1543, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1545, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1547, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1549, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1551, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1553, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1555, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1557, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1663, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1665, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1668, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1670, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1672, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1674, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1676, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1678, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1680, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1682, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1684, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1686, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1774, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1776, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1778, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1780, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1782, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1784, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1786, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1788, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1790, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1792, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1794, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1796, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1888, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1890, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1893, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1895, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1897, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1899, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1901, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1903, because occupancy 0.500 <= existing 0.500 in 1zk4A Skipped atom 1905, because occupancy 0.500 <= existing 0.500 in 1zk4A # 1zk4A.62.44 read from T0532.t2k.many.frag # adding 1zk4A to template set # found chain 1zk4A in template set T0532 62 :ELLAKQMAW 1zk4A 45 :KAAKSVGTP Number of specific fragments extracted= 1 number of extra gaps= 0 total=23487 # 1va6A.63.103 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)Q67 (1va6A)I108 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1va6A)G111 because T (delta_L) conformation "forbidden" or filtered. T0532 63 :LLAK 1va6A 104 :MPSY T0532 68 :MA 1va6A 109 :AE T0532 71 :G 1va6A 112 :Q Number of specific fragments extracted= 3 number of extra gaps= 2 total=23490 # 1gvhA.63.30 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 63 :LLAKQMAWG 1gvhA 31 :RMFTHNPEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23491 # 1nv8A.63.40 read from T0532.t2k.many.frag # found chain 1nv8A in template set Warning: unaligning (T0532)A69 (1nv8A)G45 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1nv8A)I46 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1nv8A)R47 because E (beta_S) conformation "forbidden" or filtered. T0532 63 :LLAKQM 1nv8A 39 :IVSRVL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23492 # 1uxoA.63.96 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)A69 (1uxoA)K101 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1uxoA)L103 because P (beta_P) conformation "forbidden" or filtered. T0532 63 :LLAKQM 1uxoA 95 :LVSGFA T0532 70 :W 1uxoA 102 :S Number of specific fragments extracted= 2 number of extra gaps= 2 total=23494 # 1u7nA.63.127 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)M68 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1u7nA)E131 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1u7nA)D133 because G (3-10) conformation "forbidden" or filtered. T0532 63 :LLAKQ 1u7nA 125 :TLPVM T0532 70 :W 1u7nA 132 :P Number of specific fragments extracted= 2 number of extra gaps= 2 total=23496 # 1eerA.63.36 read from T0532.t2k.many.frag # found chain 1eerA in template set Warning: unaligning (T0532)L63 (1eerA)E37 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A65 (1eerA)I39 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)K66 (1eerA)T40 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1eerA)K45 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :L 1eerA 38 :K T0532 67 :QMAW 1eerA 41 :VPDT Number of specific fragments extracted= 2 number of extra gaps= 3 total=23498 # 1n2sA.63.101 read from T0532.t2k.many.frag # found chain 1n2sA in template set Warning: unaligning (T0532)L64 (1n2sA)S103 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A65 (1n2sA)T104 because E (beta_S) conformation "forbidden" or filtered. T0532 63 :L 1n2sA 102 :Y T0532 66 :KQMAWG 1n2sA 105 :DYVFPG Number of specific fragments extracted= 2 number of extra gaps= 1 total=23500 # 1odzA.63.168 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)G71 (1odzA)T214 because G (3-10) conformation "forbidden" or filtered. T0532 63 :LLAKQMAW 1odzA 206 :IFRLYHEN Number of specific fragments extracted= 1 number of extra gaps= 1 total=23501 # 3seb.63.185 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)Q67 (3seb)I190 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (3seb)N192 because S (epsilon) conformation "forbidden" or filtered. T0532 63 :LLAK 3seb 186 :YIKF T0532 68 :M 3seb 191 :E T0532 70 :WG 3seb 193 :EN Number of specific fragments extracted= 3 number of extra gaps= 2 total=23504 # 1wxcA.63.39 read from T0532.t2k.many.frag # found chain 1wxcA in template set T0532 63 :LLAKQMAWG 1wxcA 40 :EFIMSDTDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23505 # 1kptA.63.39 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)A65 (1kptA)K42 because Y (epsilon') conformation "forbidden" or filtered. T0532 63 :LL 1kptA 40 :RA T0532 66 :KQMAWG 1kptA 43 :VCGTGN Number of specific fragments extracted= 2 number of extra gaps= 1 total=23507 # 1wzdA.63.146 read from T0532.t2k.many.frag # found chain 1wzdA in template set Warning: unaligning (T0532)M68 (1wzdA)G152 because L (left) conformation "forbidden" or filtered. T0532 63 :LLAKQ 1wzdA 147 :MQRHY T0532 69 :AWG 1wzdA 153 :VDP Number of specific fragments extracted= 2 number of extra gaps= 1 total=23509 # 1mw5A.63.78 read from T0532.t2k.many.frag # found chain 1mw5A in template set Warning: unaligning (T0532)G71 (1mw5A)S84 because G (3-10) conformation "forbidden" or filtered. T0532 63 :LLAKQMAW 1mw5A 76 :ALQAVVGN Number of specific fragments extracted= 1 number of extra gaps= 1 total=23510 # 1zk4A.63.45 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 63 :LLAKQMAWG 1zk4A 46 :AAKSVGTPD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23511 # 1lddA.63.30 read from T0532.t2k.many.frag # found chain 1lddA in template set T0532 63 :LLAKQMAWG 1lddA 803 :FLKITVPKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23512 # 1otvA.63.145 read from T0532.t2k.many.frag # found chain 1otvA in template set T0532 63 :LLAKQMAWG 1otvA 146 :TELFAPQIH Number of specific fragments extracted= 1 number of extra gaps= 0 total=23513 # 1efdN.63.34 read from T0532.t2k.many.frag # found chain 1efdN in template set Warning: unaligning (T0532)W70 (1efdN)P72 because L (left) conformation "forbidden" or filtered. T0532 63 :LLAKQMA 1efdN 65 :YRLWVSE T0532 71 :G 1efdN 73 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=23515 # 1esc.63.130 read from T0532.t2k.many.frag # found chain 1esc in template set T0532 63 :LLAKQMAWG 1esc 131 :PVDGDEPAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23516 1c7nA expands to /projects/compbio/data/pdb/1c7n.pdb.gz 1c7nA:# 1c7nA.63.21 read from T0532.t2k.many.frag # adding 1c7nA to template set # found chain 1c7nA in template set T0532 63 :LLAKQMAWG 1c7nA 22 :MYSQNPEVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23517 # 1xmtA.63.78 read from T0532.t2k.many.frag # found chain 1xmtA in training set T0532 63 :LLAKQMAWG 1xmtA 79 :VSDTFLPRN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23518 # 1q74A.63.41 read from T0532.t2k.many.frag # found chain 1q74A in training set Warning: unaligning (T0532)L64 (1q74A)G43 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1q74A)I49 because P (beta_P) conformation "forbidden" or filtered. T0532 63 :L 1q74A 42 :L T0532 65 :AKQMA 1q74A 44 :EEGEV T0532 71 :G 1q74A 50 :G Number of specific fragments extracted= 3 number of extra gaps= 2 total=23521 # 2blnA.63.193 read from T0532.t2k.many.frag # found chain 2blnA in template set Warning: unaligning (T0532)A65 (2blnA)T196 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 because of BadResidue code BAD_PEPTIDE in next template residue (2blnA)T202 Warning: unaligning (T0532)G71 because of BadResidue code BAD_PEPTIDE at template residue (2blnA)T202 T0532 63 :LL 2blnA 194 :EA T0532 66 :KQMA 2blnA 197 :CFGR Number of specific fragments extracted= 2 number of extra gaps= 2 total=23523 # 1bea.63.61 read from T0532.t2k.many.frag # found chain 1bea in template set Warning: unaligning (T0532)K66 (1bea)D65 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1bea)P70 because P (beta_P) conformation "forbidden" or filtered. T0532 63 :LLA 1bea 62 :ILM T0532 67 :QMAW 1bea 66 :GAIP Number of specific fragments extracted= 2 number of extra gaps= 2 total=23525 1wo8A expands to /projects/compbio/data/pdb/1wo8.pdb.gz 1wo8A:# 1wo8A.63.37 read from T0532.t2k.many.frag # adding 1wo8A to template set # found chain 1wo8A in template set Warning: unaligning (T0532)G71 (1wo8A)T46 because G (3-10) conformation "forbidden" or filtered. T0532 63 :LLAKQMAW 1wo8A 38 :TGARIQEA Number of specific fragments extracted= 1 number of extra gaps= 1 total=23526 # 1nigA.63.74 read from T0532.t2k.many.frag # found chain 1nigA in template set Warning: unaligning (T0532)G71 (1nigA)W83 because P (beta_P) conformation "forbidden" or filtered. T0532 63 :LLAKQMAW 1nigA 75 :RLNFTEED Number of specific fragments extracted= 1 number of extra gaps= 1 total=23527 1iruK expands to /projects/compbio/data/pdb/1iru.pdb.gz 1iruK:# 1iruK.63.101 read from T0532.t2k.many.frag # adding 1iruK to template set # found chain 1iruK in template set Warning: unaligning (T0532)A65 (1iruK)L104 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1iruK)G106 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1iruK)D108 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1iruK)H110 because G (3-10) conformation "forbidden" or filtered. T0532 63 :LL 1iruK 102 :LL T0532 66 :K 1iruK 105 :A T0532 68 :M 1iruK 107 :Y T0532 70 :W 1iruK 109 :E Number of specific fragments extracted= 4 number of extra gaps= 4 total=23531 # 1jk0B.63.103 read from T0532.t2k.many.frag # found chain 1jk0B in template set Warning: unaligning (T0532)A69 (1jk0B)N110 because Y (epsilon') conformation "forbidden" or filtered. T0532 63 :LLAKQM 1jk0B 104 :FSAQLQ T0532 70 :WG 1jk0B 111 :PE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23533 # 1es9A.63.47 read from T0532.t2k.many.frag # found chain 1es9A in training set Warning: unaligning (T0532)M68 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1es9A)Q54 Warning: unaligning (T0532)A69 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1es9A)Q54 Warning: unaligning (T0532)W70 because of BadResidue code BAD_PEPTIDE at template residue (1es9A)C55 Warning: unaligning (T0532)G71 because of BadResidue code BAD_PEPTIDE at template residue (1es9A)E56 T0532 63 :LLAKQ 1es9A 48 :LVQLM Number of specific fragments extracted= 1 number of extra gaps= 1 total=23534 # 2bk9A.63.30 read from T0532.t2k.many.frag # found chain 2bk9A in template set T0532 63 :LLAKQMAWG 2bk9A 31 :FFNRFPSNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23535 # 1u7nA.63.126 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)A69 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. T0532 63 :LLAKQM 1u7nA 124 :STLPVM T0532 70 :WG 1u7nA 131 :EP Number of specific fragments extracted= 2 number of extra gaps= 1 total=23537 # 1va6A.64.104 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)W70 (1va6A)G111 because T (delta_L) conformation "forbidden" or filtered. T0532 64 :LAKQMA 1va6A 105 :PSYIAE T0532 71 :GE 1va6A 112 :QD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23539 # 1gvhA.64.31 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 64 :LAKQMAWGE 1gvhA 32 :MFTHNPELK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23540 # 1eerA.64.37 read from T0532.t2k.many.frag # found chain 1eerA in template set Warning: unaligning (T0532)M68 (1eerA)P42 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :LAKQ 1eerA 38 :KITV T0532 69 :AWGE 1eerA 43 :DTKV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23542 # 1nv8A.64.41 read from T0532.t2k.many.frag # found chain 1nv8A in template set Warning: unaligning (T0532)A69 (1nv8A)G45 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1nv8A)I46 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1nv8A)R47 because E (beta_S) conformation "forbidden" or filtered. T0532 64 :LAKQM 1nv8A 40 :VSRVL T0532 72 :E 1nv8A 48 :K Number of specific fragments extracted= 2 number of extra gaps= 1 total=23544 # 1u7nA.64.128 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)M68 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1u7nA)E131 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1u7nA)D133 because G (3-10) conformation "forbidden" or filtered. T0532 64 :LAKQ 1u7nA 126 :LPVM T0532 70 :W 1u7nA 132 :P T0532 72 :E 1u7nA 134 :K Number of specific fragments extracted= 3 number of extra gaps= 2 total=23547 # 3seb.64.186 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)K66 (3seb)F189 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (3seb)E193 because G (3-10) conformation "forbidden" or filtered. T0532 64 :LA 3seb 187 :IK T0532 67 :QMA 3seb 190 :IEN T0532 71 :GE 3seb 194 :NS Number of specific fragments extracted= 3 number of extra gaps= 2 total=23550 # 1n2sA.64.102 read from T0532.t2k.many.frag # found chain 1n2sA in template set Warning: unaligning (T0532)L64 (1n2sA)S103 because Y (epsilon') conformation "forbidden" or filtered. T0532 65 :AKQMAWGE 1n2sA 104 :TDYVFPGT Number of specific fragments extracted= 1 number of extra gaps= 1 total=23551 # 1uxoA.64.97 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)A65 (1uxoA)S97 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1uxoA)F99 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1uxoA)K101 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1uxoA)S102 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :L 1uxoA 96 :V T0532 66 :K 1uxoA 98 :G T0532 68 :M 1uxoA 100 :A T0532 71 :GE 1uxoA 103 :LP Number of specific fragments extracted= 4 number of extra gaps= 3 total=23555 # 1wxcA.64.40 read from T0532.t2k.many.frag # found chain 1wxcA in template set Warning: unaligning (T0532)G71 (1wxcA)S48 because G (3-10) conformation "forbidden" or filtered. T0532 64 :LAKQMAW 1wxcA 41 :FIMSDTD T0532 72 :E 1wxcA 49 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=23557 # 1zk4A.64.46 read from T0532.t2k.many.frag # found chain 1zk4A in template set Warning: unaligning (T0532)M68 (1zk4A)G51 because Y (epsilon') conformation "forbidden" or filtered. T0532 64 :LAKQ 1zk4A 47 :AKSV T0532 69 :AWGE 1zk4A 52 :TPDQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=23559 # 1kptA.64.40 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)M68 (1kptA)G45 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1kptA)S49 because Y (epsilon') conformation "forbidden" or filtered. T0532 64 :LAKQ 1kptA 41 :AKVC T0532 69 :AWG 1kptA 46 :TGN Number of specific fragments extracted= 2 number of extra gaps= 2 total=23561 # 1otvA.64.146 read from T0532.t2k.many.frag # found chain 1otvA in template set Warning: unaligning (T0532)W70 (1otvA)I153 because L (left) conformation "forbidden" or filtered. T0532 64 :LAKQMA 1otvA 147 :ELFAPQ T0532 71 :GE 1otvA 154 :HQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=23563 # 1wzdA.64.147 read from T0532.t2k.many.frag # found chain 1wzdA in template set T0532 64 :LAKQMAWGE 1wzdA 148 :QRHYGVDPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23564 # 1q74A.64.42 read from T0532.t2k.many.frag # found chain 1q74A in training set Warning: unaligning (T0532)L64 (1q74A)G43 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1q74A)E47 because P (beta_P) conformation "forbidden" or filtered. T0532 65 :AKQ 1q74A 44 :EEG T0532 69 :AWGE 1q74A 48 :VIGD Number of specific fragments extracted= 2 number of extra gaps= 2 total=23566 1gpqA expands to /projects/compbio/data/pdb/1gpq.pdb.gz 1gpqA:# 1gpqA.64.81 read from T0532.t2k.many.frag # adding 1gpqA to template set # found chain 1gpqA in template set Warning: unaligning (T0532)K66 (1gpqA)T84 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1gpqA)S90 because L (left) conformation "forbidden" or filtered. T0532 64 :LA 1gpqA 82 :FS T0532 67 :QMAWG 1gpqA 85 :IDEKT Number of specific fragments extracted= 2 number of extra gaps= 2 total=23568 # 1efdN.64.35 read from T0532.t2k.many.frag # found chain 1efdN in template set Warning: unaligning (T0532)M68 (1efdN)S70 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1efdN)P72 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1efdN)P73 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :LAKQ 1efdN 66 :RLWV T0532 69 :A 1efdN 71 :E T0532 72 :E 1efdN 74 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=23571 # 1gbs.64.144 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)A69 (1gbs)G150 because S (epsilon) conformation "forbidden" or filtered. T0532 64 :LAKQM 1gbs 145 :SAYNA T0532 70 :WGE 1gbs 151 :AGN Number of specific fragments extracted= 2 number of extra gaps= 1 total=23573 # 1odzA.64.169 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)Q67 (1odzA)Y210 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1odzA)E212 because L (left) conformation "forbidden" or filtered. T0532 64 :LAK 1odzA 207 :FRL T0532 68 :M 1odzA 211 :H T0532 70 :WGE 1odzA 213 :NTG Number of specific fragments extracted= 3 number of extra gaps= 2 total=23576 # 1esc.64.131 read from T0532.t2k.many.frag # found chain 1esc in template set T0532 64 :LAKQMAWGE 1esc 132 :VDGDEPAAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=23577 # 1xmtA.64.79 read from T0532.t2k.many.frag # found chain 1xmtA in training set Warning: unaligning (T0532)G71 (1xmtA)N87 because D (zeta) conformation "forbidden" or filtered. T0532 64 :LAKQMAW 1xmtA 80 :SDTFLPR T0532 72 :E 1xmtA 88 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=23579 # 1k0mA.64.154 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)W70 (1k0mA)G161 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1k0mA)V162 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1k0mA)S163 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :LAKQMA 1k0mA 155 :TSAEDE Number of specific fragments extracted= 1 number of extra gaps= 1 total=23580 # 1lddA.64.31 read from T0532.t2k.many.frag # found chain 1lddA in template set Warning: unaligning (T0532)M68 (1lddA)V808 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :LAKQ 1lddA 804 :LKIT T0532 69 :AWGE 1lddA 809 :PKDW Number of specific fragments extracted= 2 number of extra gaps= 1 total=23582 1rkxA expands to /projects/compbio/data/pdb/1rkx.pdb.gz 1rkxA:# 1rkxA.64.135 read from T0532.t2k.many.frag # adding 1rkxA to template set # found chain 1rkxA in template set Warning: unaligning (T0532)M68 (1rkxA)E140 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1rkxA)W141 because E (beta_S) conformation "forbidden" or filtered. T0532 64 :LAKQ 1rkxA 136 :YDNK T0532 70 :WGE 1rkxA 142 :IWG Number of specific fragments extracted= 2 number of extra gaps= 1 total=23584 # 2blnA.64.194 read from T0532.t2k.many.frag # found chain 2blnA in template set Warning: unaligning (T0532)Q67 (2blnA)F198 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 because of BadResidue code BAD_PEPTIDE in next template residue (2blnA)T202 Warning: unaligning (T0532)G71 because of BadResidue code BAD_PEPTIDE at template residue (2blnA)T202 T0532 64 :LAK 2blnA 195 :ATC T0532 68 :MA 2blnA 199 :GR T0532 72 :E 2blnA 203 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=23587 # 1c7nA.64.22 read from T0532.t2k.many.frag # found chain 1c7nA in template set Warning: unaligning (T0532)G71 (1c7nA)G30 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :LAKQMAW 1c7nA 23 :YSQNPEV T0532 72 :E 1c7nA 31 :N Number of specific fragments extracted= 2 number of extra gaps= 1 total=23589 # 1mgtA.64.70 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)K66 (1mgtA)G73 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1mgtA)D76 because P (beta_P) conformation "forbidden" or filtered. T0532 64 :LA 1mgtA 71 :LI T0532 67 :QM 1mgtA 74 :EL T0532 70 :WGE 1mgtA 77 :NAS Number of specific fragments extracted= 3 number of extra gaps= 2 total=23592 # 1iruK.64.102 read from T0532.t2k.many.frag # found chain 1iruK in template set T0532 64 :LAKQMAWGE 1iruK 103 :LLAGYDEHE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23593 # 1wo8A.64.38 read from T0532.t2k.many.frag # found chain 1wo8A in template set Warning: unaligning (T0532)G71 (1wo8A)T46 because G (3-10) conformation "forbidden" or filtered. T0532 64 :LAKQMAW 1wo8A 39 :GARIQEA T0532 72 :E 1wo8A 47 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=23595 # 1u7nA.64.127 read from T0532.t2k.many.frag # found chain 1u7nA in template set T0532 64 :LAKQMAWGE 1u7nA 125 :TLPVMGEPD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23596 1i24A expands to /projects/compbio/data/pdb/1i24.pdb.gz 1i24A:Skipped atom 200, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 269, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 271, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 273, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 275, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 277, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 302, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 304, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 306, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 308, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 310, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 312, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 314, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 376, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 378, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 380, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 382, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 384, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 386, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 388, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 390, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 392, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 394, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 396, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 398, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 400, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 402, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 404, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 406, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 408, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 410, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 412, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 414, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 416, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 487, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 519, because occupancy 0.200 <= existing 0.800 in 1i24A Skipped atom 521, because occupancy 0.200 <= existing 0.800 in 1i24A Skipped atom 563, because occupancy 0.300 <= existing 0.700 in 1i24A Skipped atom 687, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 699, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 701, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 703, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 705, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 707, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 709, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 711, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 727, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 749, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 916, because occupancy 0.200 <= existing 0.600 in 1i24A Skipped atom 917, because occupancy 0.200 <= existing 0.600 in 1i24A Skipped atom 1313, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 1317, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 1319, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 1321, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 1323, because occupancy 0.350 <= existing 0.650 in 1i24A Skipped atom 1392, because occupancy 0.450 <= existing 0.550 in 1i24A Skipped atom 1394, because occupancy 0.450 <= existing 0.550 in 1i24A Skipped atom 1396, because occupancy 0.450 <= existing 0.550 in 1i24A Skipped atom 1642, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 1644, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 1646, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 1648, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 1907, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 1909, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 1911, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 1913, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 1915, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 1917, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 2153, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2215, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2217, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2219, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2221, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2299, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2301, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2303, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2305, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2307, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2309, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2452, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 2721, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 2802, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2883, because occupancy 0.400 <= existing 0.600 in 1i24A Skipped atom 2968, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2970, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2972, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2974, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 2976, because occupancy 0.500 <= existing 0.500 in 1i24A Skipped atom 3143, because occupancy 0.400 <= existing 0.600 in 1i24A # 1i24A.64.170 read from T0532.t2k.many.frag # adding 1i24A to template set # found chain 1i24A in template set Warning: unaligning (T0532)A69 (1i24A)N166 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1i24A)R168 because E (beta_S) conformation "forbidden" or filtered. T0532 64 :LAKQM 1i24A 161 :ITITH T0532 70 :W 1i24A 167 :G T0532 72 :E 1i24A 169 :T Number of specific fragments extracted= 3 number of extra gaps= 2 total=23599 # 1va6A.65.105 read from T0532.t2k.many.frag # found chain 1va6A in template set T0532 65 :AKQMAWGES 1va6A 106 :SYIAEGQDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23600 # 1gvhA.65.32 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 65 :AKQMAWGES 1gvhA 33 :FTHNPELKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23601 # 1eerA.65.38 read from T0532.t2k.many.frag # found chain 1eerA in template set T0532 65 :AKQMAWGES 1eerA 39 :ITVPDTKVN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23602 # 3seb.65.187 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)A69 (3seb)N192 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (3seb)S195 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (3seb)F196 because Y (epsilon') conformation "forbidden" or filtered. T0532 65 :AKQM 3seb 188 :KFIE T0532 70 :WG 3seb 193 :EN Number of specific fragments extracted= 2 number of extra gaps= 2 total=23604 # 1u7nA.65.129 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)A69 (1u7nA)E131 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1u7nA)D133 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1u7nA)G135 because Y (epsilon') conformation "forbidden" or filtered. T0532 65 :AKQM 1u7nA 127 :PVMG T0532 70 :W 1u7nA 132 :P T0532 72 :E 1u7nA 134 :K Number of specific fragments extracted= 3 number of extra gaps= 3 total=23607 # 1nv8A.65.42 read from T0532.t2k.many.frag # found chain 1nv8A in template set Warning: unaligning (T0532)A69 (1nv8A)G45 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1nv8A)I46 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1nv8A)R47 because E (beta_S) conformation "forbidden" or filtered. T0532 65 :AKQM 1nv8A 41 :SRVL T0532 72 :ES 1nv8A 48 :KE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23609 # 1wxcA.65.41 read from T0532.t2k.many.frag # found chain 1wxcA in template set Warning: unaligning (T0532)A69 (1wxcA)T46 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1wxcA)S48 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1wxcA)G49 because Y (epsilon') conformation "forbidden" or filtered. T0532 65 :AKQM 1wxcA 42 :IMSD T0532 70 :W 1wxcA 47 :D T0532 73 :S 1wxcA 50 :E Number of specific fragments extracted= 3 number of extra gaps= 2 total=23612 # 1n2sA.65.103 read from T0532.t2k.many.frag # found chain 1n2sA in template set Warning: unaligning (T0532)E72 (1n2sA)T111 because D (zeta) conformation "forbidden" or filtered. T0532 65 :AKQMAWG 1n2sA 104 :TDYVFPG T0532 73 :S 1n2sA 112 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=23614 # 1zk4A.65.47 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 65 :AKQMAWGES 1zk4A 48 :KSVGTPDQI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23615 # 1gpqA.65.82 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)K66 (1gpqA)T84 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1gpqA)I85 because E (beta_S) conformation "forbidden" or filtered. T0532 65 :A 1gpqA 83 :S T0532 68 :MAWGES 1gpqA 86 :DEKTSQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=23617 # 1q74A.65.43 read from T0532.t2k.many.frag # found chain 1q74A in training set Warning: unaligning (T0532)A69 (1q74A)V48 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1q74A)G50 because S (epsilon) conformation "forbidden" or filtered. T0532 65 :AKQM 1q74A 44 :EEGE T0532 70 :W 1q74A 49 :I T0532 72 :ES 1q74A 51 :DR Number of specific fragments extracted= 3 number of extra gaps= 2 total=23620 # 1otvA.65.147 read from T0532.t2k.many.frag # found chain 1otvA in template set Warning: unaligning (T0532)W70 (1otvA)I153 because L (left) conformation "forbidden" or filtered. T0532 65 :AKQMA 1otvA 148 :LFAPQ T0532 71 :GES 1otvA 154 :HQS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23622 # 1gbs.65.145 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)A69 (1gbs)G150 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1gbs)G152 because H (helix) conformation "forbidden" or filtered. T0532 65 :AKQM 1gbs 146 :AYNA T0532 70 :W 1gbs 151 :A T0532 72 :ES 1gbs 153 :NV Number of specific fragments extracted= 3 number of extra gaps= 2 total=23625 # 1kptA.65.41 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)W70 (1kptA)G47 because T (delta_L) conformation "forbidden" or filtered. T0532 65 :AKQMA 1kptA 42 :KVCGT T0532 71 :GES 1kptA 48 :NSI Number of specific fragments extracted= 2 number of extra gaps= 1 total=23627 # 1uxoA.65.98 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)A65 (1uxoA)S97 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1uxoA)F99 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1uxoA)A100 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1uxoA)K101 because Y (epsilon') conformation "forbidden" or filtered. T0532 66 :K 1uxoA 98 :G T0532 70 :WGES 1uxoA 102 :SLPT Number of specific fragments extracted= 2 number of extra gaps= 2 total=23629 # 1wzdA.65.148 read from T0532.t2k.many.frag # found chain 1wzdA in template set T0532 65 :AKQMAWGES 1wzdA 149 :RHYGVDPEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23630 # 1efdN.65.36 read from T0532.t2k.many.frag # found chain 1efdN in template set Warning: unaligning (T0532)W70 (1efdN)P72 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1efdN)P73 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1efdN)P75 because P (beta_P) conformation "forbidden" or filtered. T0532 65 :AKQMA 1efdN 67 :LWVSE T0532 72 :E 1efdN 74 :L Number of specific fragments extracted= 2 number of extra gaps= 2 total=23632 # 1k0mA.65.155 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)W70 (1k0mA)G161 because T (delta_L) conformation "forbidden" or filtered. T0532 65 :AKQMA 1k0mA 156 :SAEDE T0532 71 :GES 1k0mA 162 :VSQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=23634 # 1mgtA.65.71 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)S73 (1mgtA)F80 because G (3-10) conformation "forbidden" or filtered. T0532 65 :AKQMAWGE 1mgtA 72 :IGELDNAS Number of specific fragments extracted= 1 number of extra gaps= 1 total=23635 # 1esc.65.132 read from T0532.t2k.many.frag # found chain 1esc in template set T0532 65 :AKQMAWGES 1esc 133 :DGDEPAAKC Number of specific fragments extracted= 1 number of extra gaps= 0 total=23636 # 1rkxA.65.136 read from T0532.t2k.many.frag # found chain 1rkxA in template set Warning: unaligning (T0532)M68 (1rkxA)E140 because L (left) conformation "forbidden" or filtered. T0532 65 :AKQ 1rkxA 137 :DNK T0532 69 :AWGES 1rkxA 141 :WIWGY Number of specific fragments extracted= 2 number of extra gaps= 1 total=23638 # 1odzA.65.170 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)A69 (1odzA)E212 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1odzA)T214 because G (3-10) conformation "forbidden" or filtered. T0532 65 :AKQM 1odzA 208 :RLYH T0532 70 :W 1odzA 213 :N T0532 72 :ES 1odzA 215 :GS Number of specific fragments extracted= 3 number of extra gaps= 2 total=23641 1vqoP expands to /projects/compbio/data/pdb/1vqo.pdb.gz 1vqoP:# 1vqoP.65.70 read from T0532.t2k.many.frag # adding 1vqoP to template set # found chain 1vqoP in template set Warning: unaligning (T0532)A69 (1vqoP)Q74 because L (left) conformation "forbidden" or filtered. T0532 65 :AKQM 1vqoP 70 :AYGH T0532 70 :WGES 1vqoP 75 :KGAG Number of specific fragments extracted= 2 number of extra gaps= 1 total=23643 # 1i24A.65.171 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)A69 (1i24A)N166 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1i24A)G167 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1i24A)R168 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1i24A)T169 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 65 :AKQM 1i24A 162 :TITH Number of specific fragments extracted= 1 number of extra gaps= 1 total=23644 # 2blnA.65.195 read from T0532.t2k.many.frag # found chain 2blnA in template set Warning: unaligning (T0532)W70 because of BadResidue code BAD_PEPTIDE in next template residue (2blnA)T202 Warning: unaligning (T0532)G71 because of BadResidue code BAD_PEPTIDE at template residue (2blnA)T202 T0532 65 :AKQMA 2blnA 196 :TCFGR T0532 72 :ES 2blnA 203 :PD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23646 # 1i24A.65.170 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)K66 (1i24A)T162 because P (beta_P) conformation "forbidden" or filtered. T0532 65 :A 1i24A 161 :I T0532 67 :QMAWGES 1i24A 163 :ITHNGRT Number of specific fragments extracted= 2 number of extra gaps= 1 total=23648 # 1lddA.65.32 read from T0532.t2k.many.frag # found chain 1lddA in template set Warning: unaligning (T0532)S73 (1lddA)G813 because S (epsilon) conformation "forbidden" or filtered. T0532 65 :AKQMAWGE 1lddA 805 :KITVPKDW Number of specific fragments extracted= 1 number of extra gaps= 1 total=23649 # 1xmtA.65.80 read from T0532.t2k.many.frag # found chain 1xmtA in training set Warning: unaligning (T0532)G71 (1xmtA)N87 because D (zeta) conformation "forbidden" or filtered. T0532 65 :AKQMAW 1xmtA 81 :DTFLPR T0532 72 :ES 1xmtA 88 :PS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23651 # 2fckA.65.88 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)A65 because of BadResidue code BAD_PEPTIDE at template residue (2fckA)I86 Warning: unaligning (T0532)A69 (2fckA)Y90 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (2fckA)N94 because L (left) conformation "forbidden" or filtered. T0532 66 :KQM 2fckA 87 :NEF T0532 70 :WGE 2fckA 91 :HTF Number of specific fragments extracted= 2 number of extra gaps= 3 total=23653 # 2akaA.65.306 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 65 :AKQMAWGES 2akaA 296 :LHLAGPESF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23654 # 1eerA.66.39 read from T0532.t2k.many.frag # found chain 1eerA in template set Warning: unaligning (T0532)K66 (1eerA)T40 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1eerA)V41 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1eerA)T44 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1eerA)K45 because P (beta_P) conformation "forbidden" or filtered. T0532 68 :MA 1eerA 42 :PD T0532 72 :ESM 1eerA 46 :VNF Number of specific fragments extracted= 2 number of extra gaps= 2 total=23656 # 1va6A.66.106 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)W70 (1va6A)G111 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1va6A)Q112 because P (beta_P) conformation "forbidden" or filtered. T0532 66 :KQMA 1va6A 107 :YIAE T0532 72 :ESM 1va6A 113 :DIE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23658 # 1gvhA.66.33 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 66 :KQMAWGESM 1gvhA 34 :THNPELKEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23659 # 3seb.66.188 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)K66 (3seb)F189 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (3seb)F196 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :QMAWGE 3seb 190 :IENENS T0532 74 :M 3seb 197 :W Number of specific fragments extracted= 2 number of extra gaps= 2 total=23661 # 1u7nA.66.130 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)Q67 (1u7nA)M129 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1u7nA)G135 because Y (epsilon') conformation "forbidden" or filtered. T0532 66 :K 1u7nA 128 :V T0532 69 :AWGE 1u7nA 131 :EPDK T0532 74 :M 1u7nA 136 :F Number of specific fragments extracted= 3 number of extra gaps= 2 total=23664 # 1gpqA.66.83 read from T0532.t2k.many.frag # found chain 1gpqA in template set T0532 66 :KQMAWGESM 1gpqA 84 :TIDEKTSQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23665 # 1n2sA.66.104 read from T0532.t2k.many.frag # found chain 1n2sA in template set Warning: unaligning (T0532)A69 (1n2sA)F108 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1n2sA)T111 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1n2sA)D113 because T (delta_L) conformation "forbidden" or filtered. T0532 66 :KQM 1n2sA 105 :DYV T0532 70 :WG 1n2sA 109 :PG T0532 73 :S 1n2sA 112 :G Number of specific fragments extracted= 3 number of extra gaps= 3 total=23668 # 1otvA.66.148 read from T0532.t2k.many.frag # found chain 1otvA in template set Warning: unaligning (T0532)W70 (1otvA)I153 because L (left) conformation "forbidden" or filtered. T0532 66 :KQMA 1otvA 149 :FAPQ T0532 71 :GESM 1otvA 154 :HQSR Number of specific fragments extracted= 2 number of extra gaps= 1 total=23670 # 1wxcA.66.42 read from T0532.t2k.many.frag # found chain 1wxcA in template set Warning: unaligning (T0532)G71 (1wxcA)S48 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1wxcA)G49 because Y (epsilon') conformation "forbidden" or filtered. T0532 66 :KQMAW 1wxcA 43 :MSDTD T0532 73 :SM 1wxcA 50 :ER Number of specific fragments extracted= 2 number of extra gaps= 1 total=23672 # 1q74A.66.44 read from T0532.t2k.many.frag # found chain 1q74A in training set Warning: unaligning (T0532)K66 (1q74A)E45 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1q74A)G46 because P (beta_P) conformation "forbidden" or filtered. T0532 68 :MAWGESM 1q74A 47 :EVIGDRW Number of specific fragments extracted= 1 number of extra gaps= 1 total=23673 # 1zk4A.66.48 read from T0532.t2k.many.frag # found chain 1zk4A in template set Warning: unaligning (T0532)M68 (1zk4A)G51 because Y (epsilon') conformation "forbidden" or filtered. T0532 66 :KQ 1zk4A 49 :SV T0532 69 :AWGESM 1zk4A 52 :TPDQIQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=23675 # 1nv8A.66.43 read from T0532.t2k.many.frag # found chain 1nv8A in template set Warning: unaligning (T0532)A69 (1nv8A)G45 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1nv8A)R47 because E (beta_S) conformation "forbidden" or filtered. T0532 66 :KQM 1nv8A 42 :RVL T0532 70 :W 1nv8A 46 :I T0532 72 :ESM 1nv8A 48 :KED Number of specific fragments extracted= 3 number of extra gaps= 2 total=23678 # 1gbs.66.146 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)A69 (1gbs)G150 because S (epsilon) conformation "forbidden" or filtered. T0532 66 :KQM 1gbs 147 :YNA T0532 70 :WGESM 1gbs 151 :AGNVR Number of specific fragments extracted= 2 number of extra gaps= 1 total=23680 # 1mgtA.66.72 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 66 :KQMAWGESM 1mgtA 73 :GELDNASFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23681 1vqrA expands to /projects/compbio/data/pdb/1vqr.pdb.gz 1vqrA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1584, because occupancy 0.350 <= existing 0.650 in 1vqrA Skipped atom 1586, because occupancy 0.350 <= existing 0.650 in 1vqrA Skipped atom 1588, because occupancy 0.350 <= existing 0.650 in 1vqrA Skipped atom 1590, because occupancy 0.350 <= existing 0.650 in 1vqrA # 1vqrA.66.101 read from T0532.t2k.many.frag # adding 1vqrA to template set # found chain 1vqrA in template set Warning: unaligning (T0532)M74 (1vqrA)N98 because G (3-10) conformation "forbidden" or filtered. T0532 66 :KQMAWGES 1vqrA 90 :VMADSIRD Number of specific fragments extracted= 1 number of extra gaps= 1 total=23682 # 1uxoA.66.99 read from T0532.t2k.many.frag # found chain 1uxoA in training set Warning: unaligning (T0532)Q67 (1uxoA)F99 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1uxoA)K101 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1uxoA)S102 because P (beta_P) conformation "forbidden" or filtered. T0532 66 :K 1uxoA 98 :G T0532 68 :M 1uxoA 100 :A T0532 71 :GESM 1uxoA 103 :LPTL Number of specific fragments extracted= 3 number of extra gaps= 2 total=23685 # 1kptA.66.42 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)M68 (1kptA)G45 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1kptA)G47 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1kptA)N48 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1kptA)S49 because Y (epsilon') conformation "forbidden" or filtered. T0532 66 :KQ 1kptA 43 :VC T0532 69 :A 1kptA 46 :T T0532 73 :SM 1kptA 50 :IS Number of specific fragments extracted= 3 number of extra gaps= 2 total=23688 # 1k0mA.66.156 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)G71 (1k0mA)V162 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1k0mA)R165 because Y (epsilon') conformation "forbidden" or filtered. T0532 66 :KQMAW 1k0mA 157 :AEDEG T0532 72 :ES 1k0mA 163 :SQ Number of specific fragments extracted= 2 number of extra gaps= 2 total=23690 # 1vqoP.66.71 read from T0532.t2k.many.frag # found chain 1vqoP in template set Warning: unaligning (T0532)Q67 (1vqoP)G72 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1vqoP)Q74 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1vqoP)K75 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1vqoP)G76 because P (beta_P) conformation "forbidden" or filtered. T0532 66 :K 1vqoP 71 :Y T0532 68 :M 1vqoP 73 :H T0532 72 :ESM 1vqoP 77 :AGS Number of specific fragments extracted= 3 number of extra gaps= 2 total=23693 # 1i24A.66.172 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)A69 (1i24A)N166 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1i24A)T169 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 66 :KQM 1i24A 163 :ITH T0532 70 :WG 1i24A 167 :GR T0532 74 :M 1i24A 171 :T Number of specific fragments extracted= 3 number of extra gaps= 2 total=23696 1za0A expands to /projects/compbio/data/pdb/1za0.pdb.gz 1za0A:Skipped atom 1214, because occupancy 0.500 <= existing 0.500 in 1za0A Skipped atom 1216, because occupancy 0.500 <= existing 0.500 in 1za0A Skipped atom 1218, because occupancy 0.500 <= existing 0.500 in 1za0A Skipped atom 1220, because occupancy 0.500 <= existing 0.500 in 1za0A Skipped atom 1222, because occupancy 0.500 <= existing 0.500 in 1za0A Skipped atom 1224, because occupancy 0.500 <= existing 0.500 in 1za0A Skipped atom 1226, because occupancy 0.500 <= existing 0.500 in 1za0A # 1za0A.66.41 read from T0532.t2k.many.frag # adding 1za0A to template set # found chain 1za0A in template set T0532 66 :KQMAWGESM 1za0A 42 :QGENFAFLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23697 # 1i24A.66.171 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)Q67 (1i24A)I163 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1i24A)N166 because L (left) conformation "forbidden" or filtered. T0532 66 :K 1i24A 162 :T T0532 68 :MA 1i24A 164 :TH T0532 71 :GESM 1i24A 167 :GRTD Number of specific fragments extracted= 3 number of extra gaps= 2 total=23700 # 1rkxA.66.137 read from T0532.t2k.many.frag # found chain 1rkxA in template set Warning: unaligning (T0532)M68 (1rkxA)E140 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1rkxA)G144 because P (beta_P) conformation "forbidden" or filtered. T0532 66 :KQ 1rkxA 138 :NK T0532 69 :AWG 1rkxA 141 :WIW T0532 73 :SM 1rkxA 145 :YR Number of specific fragments extracted= 3 number of extra gaps= 2 total=23703 # 2akaA.66.307 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)K66 (2akaA)H297 because L (left) conformation "forbidden" or filtered. T0532 67 :QMAWGESM 2akaA 298 :LAGPESFN Number of specific fragments extracted= 1 number of extra gaps= 1 total=23704 # 2fckA.66.89 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)A69 (2fckA)Y90 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (2fckA)N94 because L (left) conformation "forbidden" or filtered. T0532 66 :KQM 2fckA 87 :NEF T0532 70 :WGE 2fckA 91 :HTF T0532 74 :M 2fckA 95 :M Number of specific fragments extracted= 3 number of extra gaps= 2 total=23707 # 1nnlA.66.134 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)K66 (1nnlA)L135 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q67 (1nnlA)K136 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1nnlA)N140 because G (3-10) conformation "forbidden" or filtered. T0532 68 :MAW 1nnlA 137 :FYF T0532 72 :ESM 1nnlA 141 :GEY Number of specific fragments extracted= 2 number of extra gaps= 2 total=23709 # 1vlaA.66.34 read from T0532.t2k.many.frag # found chain 1vlaA in training set Warning: unaligning (T0532)K66 (1vlaA)M23 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1vlaA)T25 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :Q 1vlaA 24 :D T0532 69 :AWGESM 1vlaA 26 :KEEVGG Number of specific fragments extracted= 2 number of extra gaps= 2 total=23711 2al2A expands to /projects/compbio/data/pdb/2al2.pdb.gz 2al2A:# 2al2A.66.197 read from T0532.t2k.many.frag # adding 2al2A to template set # found chain 2al2A in template set Warning: unaligning (T0532)W70 (2al2A)G202 because S (epsilon) conformation "forbidden" or filtered. T0532 66 :KQMA 2al2A 198 :KKRY T0532 71 :GESM 2al2A 203 :ASAG Number of specific fragments extracted= 2 number of extra gaps= 1 total=23713 # 1esc.66.133 read from T0532.t2k.many.frag # found chain 1esc in template set T0532 66 :KQMAWGESM 1esc 134 :GDEPAAKCG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23714 # 1efdN.66.37 read from T0532.t2k.many.frag # found chain 1efdN in template set Warning: unaligning (T0532)M68 (1efdN)S70 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1efdN)P72 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1efdN)P73 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1efdN)L74 because P (beta_P) conformation "forbidden" or filtered. T0532 66 :KQ 1efdN 68 :WV T0532 69 :A 1efdN 71 :E T0532 73 :SM 1efdN 75 :PD Number of specific fragments extracted= 3 number of extra gaps= 2 total=23717 # 1eerA.67.40 read from T0532.t2k.many.frag # found chain 1eerA in template set Warning: unaligning (T0532)M68 (1eerA)P42 because P (beta_P) conformation "forbidden" or filtered. T0532 67 :Q 1eerA 41 :V T0532 69 :AWGESME 1eerA 43 :DTKVNFY Number of specific fragments extracted= 2 number of extra gaps= 1 total=23719 # 1vqrA.67.102 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 67 :QMAWGESME 1vqrA 91 :MADSIRDNF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23720 # 1gvhA.67.34 read from T0532.t2k.many.frag # found chain 1gvhA in template set Warning: unaligning (T0532)E75 (1gvhA)F43 because P (beta_P) conformation "forbidden" or filtered. T0532 67 :QMAWGESM 1gvhA 35 :HNPELKEI Number of specific fragments extracted= 1 number of extra gaps= 1 total=23721 # 1gbs.67.147 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)A69 (1gbs)G150 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1gbs)S156 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :QM 1gbs 148 :NA T0532 70 :WGESM 1gbs 151 :AGNVR Number of specific fragments extracted= 2 number of extra gaps= 2 total=23723 # 1zk4A.67.49 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 67 :QMAWGESME 1zk4A 50 :VGTPDQIQF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23724 # 1n2sA.67.105 read from T0532.t2k.many.frag # found chain 1n2sA in template set T0532 67 :QMAWGESME 1n2sA 106 :YVFPGTGDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23725 # 3seb.67.189 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)A69 (3seb)N192 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (3seb)N194 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (3seb)F196 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :QM 3seb 190 :IE T0532 70 :W 3seb 193 :E T0532 72 :E 3seb 195 :S T0532 74 :ME 3seb 197 :WY Number of specific fragments extracted= 4 number of extra gaps= 3 total=23729 # 1gpqA.67.84 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)G71 (1gpqA)T89 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1gpqA)S90 because L (left) conformation "forbidden" or filtered. T0532 67 :QMAW 1gpqA 85 :IDEK T0532 73 :SME 1gpqA 91 :QEK Number of specific fragments extracted= 2 number of extra gaps= 1 total=23731 # 1va6A.67.107 read from T0532.t2k.many.frag # found chain 1va6A in template set T0532 67 :QMAWGESME 1va6A 108 :IAEGQDIEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23732 # 1mgtA.67.73 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 67 :QMAWGESME 1mgtA 74 :ELDNASFLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=23733 # 1u7nA.67.131 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)M68 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1u7nA)E131 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1u7nA)D133 because G (3-10) conformation "forbidden" or filtered. T0532 67 :Q 1u7nA 129 :M T0532 70 :W 1u7nA 132 :P T0532 72 :ESME 1u7nA 134 :KGFD Number of specific fragments extracted= 3 number of extra gaps= 2 total=23736 # 2akaA.67.308 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 67 :QMAWGESME 2akaA 298 :LAGPESFNY Number of specific fragments extracted= 1 number of extra gaps= 0 total=23737 # 1nnlA.67.135 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)G71 (1nnlA)N140 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1nnlA)G141 because T (delta_L) conformation "forbidden" or filtered. T0532 67 :QMAW 1nnlA 136 :KFYF T0532 73 :SME 1nnlA 142 :EYA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23739 # 1q74A.67.45 read from T0532.t2k.many.frag # found chain 1q74A in training set Warning: unaligning (T0532)A69 (1q74A)V48 because E (beta_S) conformation "forbidden" or filtered. T0532 67 :QM 1q74A 46 :GE T0532 70 :WGESME 1q74A 49 :IGDRWA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23741 # 1otvA.67.149 read from T0532.t2k.many.frag # found chain 1otvA in template set Warning: unaligning (T0532)W70 (1otvA)I153 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1otvA)S156 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1otvA)R157 because P (beta_P) conformation "forbidden" or filtered. T0532 67 :QMA 1otvA 150 :APQ T0532 71 :GE 1otvA 154 :HQ T0532 75 :E 1otvA 158 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=23744 # 1k0mA.67.157 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)A69 (1k0mA)E160 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1k0mA)G161 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1k0mA)V162 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1k0mA)S163 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1k0mA)R165 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :QM 1k0mA 158 :ED T0532 73 :S 1k0mA 164 :Q T0532 75 :E 1k0mA 166 :K Number of specific fragments extracted= 3 number of extra gaps= 2 total=23747 1s28A expands to /projects/compbio/data/pdb/1s28.pdb.gz 1s28A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1s28A.67.45 read from T0532.t2k.many.frag # adding 1s28A to template set # found chain 1s28A in template set T0532 67 :QMAWGESME 1s28A 46 :QDKFKWVYF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23748 # 2al2A.67.198 read from T0532.t2k.many.frag # found chain 2al2A in template set T0532 67 :QMAWGESME 2al2A 199 :KRYGASAGN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23749 # 1wxcA.67.43 read from T0532.t2k.many.frag # found chain 1wxcA in template set Warning: unaligning (T0532)E72 (1wxcA)G49 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :QMAWG 1wxcA 44 :SDTDS T0532 73 :SME 1wxcA 50 :ERT Number of specific fragments extracted= 2 number of extra gaps= 1 total=23751 # 1kptA.67.43 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)A69 (1kptA)T46 because N (gamma') conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1kptA)N48 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :QM 1kptA 44 :CG T0532 70 :W 1kptA 47 :G T0532 72 :ESME 1kptA 49 :SISA Number of specific fragments extracted= 3 number of extra gaps= 2 total=23754 # 1i24A.67.173 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 67 :QMAWGESME 1i24A 164 :THNGRTDTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23755 # 1za0A.67.42 read from T0532.t2k.many.frag # found chain 1za0A in template set Warning: unaligning (T0532)A69 (1za0A)N45 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1za0A)G50 because T (delta_L) conformation "forbidden" or filtered. T0532 67 :QM 1za0A 43 :GE T0532 70 :WGES 1za0A 46 :FAFL T0532 75 :E 1za0A 51 :G Number of specific fragments extracted= 3 number of extra gaps= 2 total=23758 # 1lkkA.67.61 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)W70 (1lkkA)L186 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1lkkA)N188 because L (left) conformation "forbidden" or filtered. T0532 67 :QMA 1lkkA 183 :IRN T0532 71 :G 1lkkA 187 :D T0532 73 :SME 1lkkA 189 :GGF Number of specific fragments extracted= 3 number of extra gaps= 2 total=23761 # 1nv8A.67.44 read from T0532.t2k.many.frag # found chain 1nv8A in template set Warning: unaligning (T0532)A69 (1nv8A)G45 because L (left) conformation "forbidden" or filtered. T0532 67 :QM 1nv8A 43 :VL T0532 70 :WGESME 1nv8A 46 :IRKEDL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23763 # 1vqoP.67.72 read from T0532.t2k.many.frag # found chain 1vqoP in template set T0532 67 :QMAWGESME 1vqoP 72 :GHQKGAGSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=23764 # 1rkxA.67.138 read from T0532.t2k.many.frag # found chain 1rkxA in template set Warning: unaligning (T0532)M68 (1rkxA)E140 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1rkxA)W143 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1rkxA)R146 because P (beta_P) conformation "forbidden" or filtered. T0532 67 :Q 1rkxA 139 :K T0532 69 :AW 1rkxA 141 :WI T0532 72 :ES 1rkxA 144 :GY T0532 75 :E 1rkxA 147 :E Number of specific fragments extracted= 4 number of extra gaps= 3 total=23768 # 1i24A.67.172 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)W70 (1i24A)N166 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :QMA 1i24A 163 :ITH T0532 71 :GES 1i24A 167 :GRT T0532 75 :E 1i24A 171 :T Number of specific fragments extracted= 3 number of extra gaps= 2 total=23771 # 2fckA.67.90 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)M68 (2fckA)F89 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (2fckA)A96 because Y (epsilon') conformation "forbidden" or filtered. T0532 67 :Q 2fckA 88 :E T0532 69 :AWGESM 2fckA 90 :YHTFNM Number of specific fragments extracted= 2 number of extra gaps= 2 total=23773 # 1esc.67.134 read from T0532.t2k.many.frag # found chain 1esc in template set T0532 67 :QMAWGESME 1esc 135 :DEPAAKCGE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23774 # 1vlaA.67.35 read from T0532.t2k.many.frag # found chain 1vlaA in training set Warning: unaligning (T0532)Q67 (1vlaA)D24 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)M68 (1vlaA)T25 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :AWGESME 1vlaA 26 :KEEVGGK Number of specific fragments extracted= 1 number of extra gaps= 1 total=23775 # 1vqrA.68.103 read from T0532.t2k.many.frag # found chain 1vqrA in template set Warning: unaligning (T0532)M68 (1vqrA)A92 because P (beta_P) conformation "forbidden" or filtered. T0532 69 :AWGESMED 1vqrA 93 :DSIRDNFK Number of specific fragments extracted= 1 number of extra gaps= 1 total=23776 # 1nnlA.68.136 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)E72 (1nnlA)G141 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1nnlA)E142 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1nnlA)G145 because S (epsilon) conformation "forbidden" or filtered. T0532 68 :MAWG 1nnlA 137 :FYFN T0532 74 :ME 1nnlA 143 :YA Number of specific fragments extracted= 2 number of extra gaps= 2 total=23778 # 1s28A.68.46 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)W70 (1s28A)F49 because G (3-10) conformation "forbidden" or filtered. T0532 68 :MA 1s28A 47 :DK T0532 71 :GESMED 1s28A 50 :KWVYFL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23780 # 2akaA.68.309 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)M68 (2akaA)A299 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :AWGESMED 2akaA 300 :GPESFNYL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23781 # 3seb.68.190 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)A69 (3seb)N192 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (3seb)N194 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (3seb)F196 because Y (epsilon') conformation "forbidden" or filtered. T0532 68 :M 3seb 191 :E T0532 70 :W 3seb 193 :E T0532 72 :E 3seb 195 :S T0532 74 :MED 3seb 197 :WYD Number of specific fragments extracted= 4 number of extra gaps= 3 total=23785 # 1mgtA.68.74 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 68 :MAWGESMED 1mgtA 75 :LDNASFLRE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23786 # 1lkkA.68.62 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)W70 (1lkkA)L186 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1lkkA)N188 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1lkkA)Y192 because Y (epsilon') conformation "forbidden" or filtered. T0532 68 :MA 1lkkA 184 :RN T0532 71 :G 1lkkA 187 :D T0532 73 :SME 1lkkA 189 :GGF Number of specific fragments extracted= 3 number of extra gaps= 3 total=23789 # 1zk4A.68.50 read from T0532.t2k.many.frag # found chain 1zk4A in template set Warning: unaligning (T0532)M68 (1zk4A)G51 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :AWGESMED 1zk4A 52 :TPDQIQFF Number of specific fragments extracted= 1 number of extra gaps= 1 total=23790 # 2al2A.68.199 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)W70 (2al2A)G202 because S (epsilon) conformation "forbidden" or filtered. T0532 68 :MA 2al2A 200 :RY T0532 71 :GESMED 2al2A 203 :ASAGNV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23792 # 1gbs.68.148 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)A69 (1gbs)G150 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1gbs)S156 because Y (epsilon') conformation "forbidden" or filtered. T0532 68 :M 1gbs 149 :A T0532 70 :WGESM 1gbs 151 :AGNVR T0532 76 :D 1gbs 157 :Y Number of specific fragments extracted= 3 number of extra gaps= 2 total=23795 # 1gvhA.68.35 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 68 :MAWGESMED 1gvhA 36 :NPELKEIFN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23796 # 1eerA.68.41 read from T0532.t2k.many.frag # found chain 1eerA in template set Warning: unaligning (T0532)W70 (1eerA)T44 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1eerA)K45 because P (beta_P) conformation "forbidden" or filtered. T0532 68 :MA 1eerA 42 :PD T0532 72 :ESMED 1eerA 46 :VNFYA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23798 # 1gpqA.68.85 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)E72 (1gpqA)S90 because L (left) conformation "forbidden" or filtered. T0532 68 :MAWG 1gpqA 86 :DEKT T0532 73 :SMED 1gpqA 91 :QEKL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23800 # 1u7nA.68.132 read from T0532.t2k.many.frag # found chain 1u7nA in template set Warning: unaligning (T0532)M68 (1u7nA)G130 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)A69 (1u7nA)E131 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1u7nA)G135 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :WGE 1u7nA 132 :PDK T0532 74 :MED 1u7nA 136 :FDM Number of specific fragments extracted= 2 number of extra gaps= 2 total=23802 # 1q74A.68.46 read from T0532.t2k.many.frag # found chain 1q74A in training set T0532 68 :MAWGESMED 1q74A 47 :EVIGDRWAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23803 # 1sfxA.68.68 read from T0532.t2k.many.frag # found chain 1sfxA in training set Warning: unaligning (T0532)A69 (1sfxA)E69 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1sfxA)G74 because Y (epsilon') conformation "forbidden" or filtered. T0532 68 :M 1sfxA 68 :V T0532 70 :WGES 1sfxA 70 :KGWV T0532 75 :ED 1sfxA 75 :YI Number of specific fragments extracted= 3 number of extra gaps= 2 total=23806 # 1n2sA.68.106 read from T0532.t2k.many.frag # found chain 1n2sA in template set Warning: unaligning (T0532)A69 (1n2sA)F108 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1n2sA)D113 because T (delta_L) conformation "forbidden" or filtered. T0532 68 :M 1n2sA 107 :V T0532 70 :WGES 1n2sA 109 :PGTG T0532 75 :ED 1n2sA 114 :IP Number of specific fragments extracted= 3 number of extra gaps= 2 total=23809 # 1k0mA.68.158 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)D76 (1k0mA)F167 because Y (epsilon') conformation "forbidden" or filtered. T0532 68 :MAWGESME 1k0mA 159 :DEGVSQRK Number of specific fragments extracted= 1 number of extra gaps= 1 total=23810 # 1i24A.68.174 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)A69 (1i24A)N166 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 68 :M 1i24A 165 :H T0532 70 :WGE 1i24A 167 :GRT T0532 74 :MED 1i24A 171 :TLP Number of specific fragments extracted= 3 number of extra gaps= 2 total=23813 # 1va6A.68.108 read from T0532.t2k.many.frag # found chain 1va6A in template set Warning: unaligning (T0532)W70 (1va6A)G111 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1va6A)Q112 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1va6A)A117 because P (beta_P) conformation "forbidden" or filtered. T0532 68 :MA 1va6A 109 :AE T0532 72 :ESME 1va6A 113 :DIEL Number of specific fragments extracted= 2 number of extra gaps= 2 total=23815 2basA expands to /projects/compbio/data/pdb/2bas.pdb.gz 2basA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2basA.68.137 read from T0532.t2k.many.frag # adding 2basA to template set # found chain 2basA in template set T0532 68 :MAWGESMED 2basA 114 :IELHRFVLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23816 # 1kptA.68.44 read from T0532.t2k.many.frag # found chain 1kptA in training set Warning: unaligning (T0532)G71 (1kptA)N48 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1kptA)S49 because Y (epsilon') conformation "forbidden" or filtered. T0532 68 :MAW 1kptA 45 :GTG T0532 73 :SMED 1kptA 50 :ISAY Number of specific fragments extracted= 2 number of extra gaps= 1 total=23818 1c4oA expands to /projects/compbio/data/pdb/1c4o.pdb.gz 1c4oA:# 1c4oA.68.97 read from T0532.t2k.many.frag # adding 1c4oA to template set # found chain 1c4oA in template set Warning: unaligning (T0532)E72 (1c4oA)D103 because L (left) conformation "forbidden" or filtered. T0532 68 :MAWG 1c4oA 99 :VPGK T0532 73 :SMED 1c4oA 104 :LYIE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23820 # 1xeaA.68.246 read from T0532.t2k.many.frag # found chain 1xeaA in template set Warning: unaligning (T0532)A69 (1xeaA)D248 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)W70 (1xeaA)N249 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1xeaA)Q250 because E (beta_S) conformation "forbidden" or filtered. T0532 68 :M 1xeaA 247 :R T0532 72 :ESMED 1xeaA 251 :ESRVA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23822 # 1vqoP.68.73 read from T0532.t2k.many.frag # found chain 1vqoP in template set Warning: unaligning (T0532)A69 (1vqoP)Q74 because L (left) conformation "forbidden" or filtered. T0532 68 :M 1vqoP 73 :H T0532 70 :WGESMED 1vqoP 75 :KGAGSRK Number of specific fragments extracted= 2 number of extra gaps= 1 total=23824 # 1mk0A.68.9 read from T0532.t2k.many.frag # found chain 1mk0A in training set Warning: unaligning (T0532)E72 (1mk0A)N14 because T (delta_L) conformation "forbidden" or filtered. T0532 68 :MAWG 1mk0A 10 :NTLN T0532 73 :SMED 1mk0A 15 :KVYV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23826 1c93A expands to /projects/compbio/data/pdb/1c93.pdb.gz 1c93A:# 1c93A.68.45 read from T0532.t2k.many.frag # adding 1c93A to template set # found chain 1c93A in template set T0532 68 :MAWGESMED 1c93A 51 :DTGTKTAYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23827 # 2fckA.68.91 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)S73 (2fckA)N94 because L (left) conformation "forbidden" or filtered. T0532 68 :MAWGE 2fckA 89 :FYHTF T0532 74 :MED 2fckA 95 :MAS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23829 # 1f1mA.68.41 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)G71 (1f1mA)S82 because N (gamma') conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1f1mA)D83 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1f1mA)L86 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1f1mA)D87 because E (beta_S) conformation "forbidden" or filtered. T0532 68 :MAW 1f1mA 79 :KIK T0532 73 :SM 1f1mA 84 :VS Number of specific fragments extracted= 2 number of extra gaps= 2 total=23831 # 1vlaA.68.36 read from T0532.t2k.many.frag # found chain 1vlaA in training set Warning: unaligning (T0532)S73 (1vlaA)G30 because T (delta_L) conformation "forbidden" or filtered. T0532 68 :MAWGE 1vlaA 25 :TKEEV T0532 74 :MED 1vlaA 31 :GKD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23833 # 1vqrA.69.104 read from T0532.t2k.many.frag # found chain 1vqrA in template set Warning: unaligning (T0532)E75 (1vqrA)F99 because P (beta_P) conformation "forbidden" or filtered. T0532 69 :AWGESM 1vqrA 93 :DSIRDN T0532 76 :DY 1vqrA 100 :KI Number of specific fragments extracted= 2 number of extra gaps= 1 total=23835 # 2akaA.69.310 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)Y77 (2akaA)N308 because G (3-10) conformation "forbidden" or filtered. T0532 69 :AWGESMED 2akaA 300 :GPESFNYL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23836 # 1s28A.69.47 read from T0532.t2k.many.frag # found chain 1s28A in template set T0532 69 :AWGESMEDY 1s28A 48 :KFKWVYFLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23837 # 1nnlA.69.137 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)E72 (1nnlA)G141 because T (delta_L) conformation "forbidden" or filtered. T0532 69 :AWG 1nnlA 138 :YFN T0532 73 :SMEDY 1nnlA 142 :EYAGF Number of specific fragments extracted= 2 number of extra gaps= 1 total=23839 # 1sfxA.69.69 read from T0532.t2k.many.frag # found chain 1sfxA in training set Warning: unaligning (T0532)A69 (1sfxA)E69 because D (zeta) conformation "forbidden" or filtered. T0532 70 :WGESMEDY 1sfxA 70 :KGWVGYIY Number of specific fragments extracted= 1 number of extra gaps= 1 total=23840 # 2al2A.69.200 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)W70 (2al2A)G202 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (2al2A)N207 because P (beta_P) conformation "forbidden" or filtered. T0532 69 :A 2al2A 201 :Y T0532 71 :GESM 2al2A 203 :ASAG T0532 76 :DY 2al2A 208 :VG Number of specific fragments extracted= 3 number of extra gaps= 2 total=23843 # 1lkkA.69.63 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)W70 (1lkkA)L186 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1lkkA)N188 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1lkkA)G190 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1lkkA)Y192 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :A 1lkkA 185 :N T0532 71 :G 1lkkA 187 :D T0532 73 :S 1lkkA 189 :G T0532 75 :E 1lkkA 191 :F T0532 77 :Y 1lkkA 193 :I Number of specific fragments extracted= 5 number of extra gaps= 4 total=23848 # 1c4oA.69.98 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)G71 (1c4oA)K102 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1c4oA)D103 because L (left) conformation "forbidden" or filtered. T0532 69 :AW 1c4oA 100 :PG T0532 73 :SMEDY 1c4oA 104 :LYIEK Number of specific fragments extracted= 2 number of extra gaps= 1 total=23850 # 1mgtA.69.75 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 69 :AWGESMEDY 1mgtA 76 :DNASFLREL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23851 # 2basA.69.138 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 69 :AWGESMEDY 2basA 115 :ELHRFVLEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=23852 # 3seb.69.191 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)S73 (3seb)F196 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :AWGE 3seb 192 :NENS T0532 74 :MEDY 3seb 197 :WYDM Number of specific fragments extracted= 2 number of extra gaps= 1 total=23854 # 1zk4A.69.51 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 69 :AWGESMEDY 1zk4A 52 :TPDQIQFFQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23855 # 1gvhA.69.36 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 69 :AWGESMEDY 1gvhA 37 :PELKEIFNM Number of specific fragments extracted= 1 number of extra gaps= 0 total=23856 1reqB expands to /projects/compbio/data/pdb/1req.pdb.gz 1reqB:# 1reqB.69.387 read from T0532.t2k.many.frag # adding 1reqB to template set # found chain 1reqB in template set Warning: unaligning (T0532)D76 (1reqB)N396 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Y77 (1reqB)D397 because L (left) conformation "forbidden" or filtered. T0532 69 :AWGESME 1reqB 389 :EVNIGRV Number of specific fragments extracted= 1 number of extra gaps= 1 total=23857 # 1gbs.69.149 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)E75 (1gbs)S156 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :AWGESM 1gbs 150 :GAGNVR T0532 76 :DY 1gbs 157 :YA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23859 # 1xeaA.69.247 read from T0532.t2k.many.frag # found chain 1xeaA in template set Warning: unaligning (T0532)W70 (1xeaA)N249 because L (left) conformation "forbidden" or filtered. T0532 69 :A 1xeaA 248 :D T0532 71 :GESMEDY 1xeaA 250 :QESRVAL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23861 # 1xjvA.69.262 read from T0532.t2k.many.frag # found chain 1xjvA in training set Warning: unaligning (T0532)G71 (1xjvA)S270 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1xjvA)G274 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :AW 1xjvA 268 :GT T0532 72 :ESM 1xjvA 271 :YGR T0532 76 :DY 1xjvA 275 :IR Number of specific fragments extracted= 3 number of extra gaps= 2 total=23864 # 1g8kA.69.292 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)G71 (1g8kA)R295 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1g8kA)A300 because N (gamma') conformation "forbidden" or filtered. T0532 69 :AW 1g8kA 293 :ND T0532 72 :ESME 1g8kA 296 :VLHL T0532 77 :Y 1g8kA 301 :I Number of specific fragments extracted= 3 number of extra gaps= 2 total=23867 # 1m4lA.69.272 read from T0532.t2k.many.frag # found chain 1m4lA in training set Warning: unaligning (T0532)A69 because of BadResidue code BAD_PEPTIDE at template residue (1m4lA)D273 T0532 70 :WGESMEDY 1m4lA 274 :TGRYGFLL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23868 # 1q74A.69.47 read from T0532.t2k.many.frag # found chain 1q74A in training set T0532 69 :AWGESMEDY 1q74A 48 :VIGDRWAQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=23869 # 1i24A.69.175 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)W70 (1i24A)G167 because T (delta_L) conformation "forbidden" or filtered. T0532 69 :A 1i24A 166 :N T0532 71 :GESMEDY 1i24A 168 :RTDTLPY Number of specific fragments extracted= 2 number of extra gaps= 1 total=23871 # 1gpqA.69.86 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)G71 (1gpqA)T89 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1gpqA)L94 because E (beta_S) conformation "forbidden" or filtered. T0532 69 :AW 1gpqA 87 :EK T0532 72 :ESME 1gpqA 90 :SQEK T0532 77 :Y 1gpqA 95 :T Number of specific fragments extracted= 3 number of extra gaps= 2 total=23874 1bvoA expands to /projects/compbio/data/pdb/1bvo.pdb.gz 1bvoA:# 1bvoA.69.88 read from T0532.t2k.many.frag # adding 1bvoA to template set # found chain 1bvoA in template set T0532 69 :AWGESMEDY 1bvoA 136 :NSTTMSYTF Number of specific fragments extracted= 1 number of extra gaps= 0 total=23875 1pprM expands to /projects/compbio/data/pdb/1ppr.pdb.gz 1pprM:# 1pprM.69.149 read from T0532.t2k.many.frag # adding 1pprM to template set # found chain 1pprM in template set T0532 69 :AWGESMEDY 1pprM 150 :QVTSAAGPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23876 # 1k0mA.69.159 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)M74 (1k0mA)R165 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1k0mA)F167 because Y (epsilon') conformation "forbidden" or filtered. T0532 69 :AWGES 1k0mA 160 :EGVSQ T0532 75 :E 1k0mA 166 :K T0532 77 :Y 1k0mA 168 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=23879 # 1jkeA.69.84 read from T0532.t2k.many.frag # found chain 1jkeA in training set Warning: unaligning (T0532)E72 (1jkeA)G88 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1jkeA)S92 because E (beta_S) conformation "forbidden" or filtered. T0532 69 :AWG 1jkeA 85 :TER T0532 73 :SME 1jkeA 89 :MRP T0532 77 :Y 1jkeA 93 :F Number of specific fragments extracted= 3 number of extra gaps= 2 total=23882 # 1zgmA.69.124 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)W70 (1zgmA)L114 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1zgmA)G116 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1zgmA)M120 because E (beta_S) conformation "forbidden" or filtered. T0532 69 :A 1zgmA 113 :T T0532 71 :G 1zgmA 115 :N T0532 73 :SME 1zgmA 117 :GRE T0532 77 :Y 1zgmA 121 :W Number of specific fragments extracted= 4 number of extra gaps= 3 total=23886 # 1f1mA.69.42 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 69 :AWGESMEDY 1f1mA 80 :IKSDVSLDN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23887 # 1mk0A.69.10 read from T0532.t2k.many.frag # found chain 1mk0A in training set T0532 69 :AWGESMEDY 1mk0A 11 :TLNNKVYVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=23888 1chmA expands to /projects/compbio/data/pdb/1chm.pdb.gz 1chmA:# 1chmA.69.113 read from T0532.t2k.many.frag # adding 1chmA to template set # found chain 1chmA in template set Warning: unaligning (T0532)A69 (1chmA)L115 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 because of BadResidue code BAD_PEPTIDE in next template residue (1chmA)R119 Warning: unaligning (T0532)S73 because of BadResidue code BAD_PEPTIDE at template residue (1chmA)R119 T0532 70 :WG 1chmA 116 :PK T0532 74 :MEDY 1chmA 120 :RIGI Number of specific fragments extracted= 2 number of extra gaps= 2 total=23890 # 1vqrA.70.105 read from T0532.t2k.many.frag # found chain 1vqrA in template set Warning: unaligning (T0532)S73 (1vqrA)D97 because P (beta_P) conformation "forbidden" or filtered. T0532 70 :WGE 1vqrA 94 :SIR T0532 74 :MEDYQ 1vqrA 98 :NFKID Number of specific fragments extracted= 2 number of extra gaps= 1 total=23892 # 2akaA.70.311 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 70 :WGESMEDYQ 2akaA 301 :PESFNYLNQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=23893 # 1s28A.70.48 read from T0532.t2k.many.frag # found chain 1s28A in template set T0532 70 :WGESMEDYQ 1s28A 49 :FKWVYFLSD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23894 # 1nnlA.70.138 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)G71 (1nnlA)N140 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1nnlA)G145 because S (epsilon) conformation "forbidden" or filtered. T0532 70 :W 1nnlA 139 :F T0532 72 :ESME 1nnlA 141 :GEYA T0532 77 :YQ 1nnlA 146 :FD Number of specific fragments extracted= 3 number of extra gaps= 2 total=23897 # 2al2A.70.201 read from T0532.t2k.many.frag # found chain 2al2A in template set T0532 70 :WGESMEDYQ 2al2A 202 :GASAGNVGD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23898 # 1sfxA.70.70 read from T0532.t2k.many.frag # found chain 1sfxA in training set Warning: unaligning (T0532)E72 (1sfxA)W72 because P (beta_P) conformation "forbidden" or filtered. T0532 70 :WG 1sfxA 70 :KG T0532 73 :SMEDYQ 1sfxA 73 :VGYIYS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23900 # 2basA.70.139 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 70 :WGESMEDYQ 2basA 116 :LHRFVLEIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23901 # 1lkkA.70.64 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)G71 (1lkkA)D187 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1lkkA)N188 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1lkkA)G190 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1lkkA)Y192 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :W 1lkkA 186 :L T0532 73 :S 1lkkA 189 :G T0532 75 :E 1lkkA 191 :F T0532 77 :YQ 1lkkA 193 :IS Number of specific fragments extracted= 4 number of extra gaps= 3 total=23905 # 1c4oA.70.99 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)E72 (1c4oA)D103 because L (left) conformation "forbidden" or filtered. T0532 70 :WG 1c4oA 101 :GK T0532 73 :SMEDYQ 1c4oA 104 :LYIEKD Number of specific fragments extracted= 2 number of extra gaps= 1 total=23907 # 1mgtA.70.76 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 70 :WGESMEDYQ 1mgtA 77 :NASFLRELS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23908 # 3seb.70.192 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)S73 (3seb)F196 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :WGE 3seb 193 :ENS T0532 74 :MEDYQ 3seb 197 :WYDMM Number of specific fragments extracted= 2 number of extra gaps= 1 total=23910 # 1zk4A.70.52 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 70 :WGESMEDYQ 1zk4A 53 :PDQIQFFQH Number of specific fragments extracted= 1 number of extra gaps= 0 total=23911 # 1xeaA.70.248 read from T0532.t2k.many.frag # found chain 1xeaA in template set Warning: unaligning (T0532)W70 (1xeaA)N249 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1xeaA)Q250 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1xeaA)K257 because P (beta_P) conformation "forbidden" or filtered. T0532 72 :ESMEDY 1xeaA 251 :ESRVAL Number of specific fragments extracted= 1 number of extra gaps= 2 total=23912 # 1reqB.70.388 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)E75 (1reqB)V395 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Y77 (1reqB)D397 because L (left) conformation "forbidden" or filtered. T0532 70 :WGESM 1reqB 390 :VNIGR T0532 76 :D 1reqB 396 :N T0532 78 :Q 1reqB 398 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=23915 # 1gvhA.70.37 read from T0532.t2k.many.frag # found chain 1gvhA in template set Warning: unaligning (T0532)D76 (1gvhA)N44 because P (beta_P) conformation "forbidden" or filtered. T0532 70 :WGESME 1gvhA 38 :ELKEIF T0532 77 :YQ 1gvhA 45 :MS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23917 # 1g8kA.70.293 read from T0532.t2k.many.frag # found chain 1g8kA in training set T0532 70 :WGESMEDYQ 1g8kA 294 :DRVLHLAIE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23918 # 1i24A.70.176 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)S73 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :WGE 1i24A 167 :GRT T0532 74 :MEDYQ 1i24A 171 :TLPYP Number of specific fragments extracted= 2 number of extra gaps= 1 total=23920 # 1gbs.70.150 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)E75 (1gbs)S156 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :WGESM 1gbs 151 :AGNVR T0532 76 :DYQ 1gbs 157 :YAR Number of specific fragments extracted= 2 number of extra gaps= 1 total=23922 # 1m4lA.70.273 read from T0532.t2k.many.frag # found chain 1m4lA in training set Warning: unaligning (T0532)M74 (1m4lA)G278 because S (epsilon) conformation "forbidden" or filtered. T0532 70 :WGES 1m4lA 274 :TGRY T0532 75 :EDYQ 1m4lA 279 :FLLP Number of specific fragments extracted= 2 number of extra gaps= 1 total=23924 # 1gpqA.70.87 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)E72 (1gpqA)S90 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1gpqA)W96 because P (beta_P) conformation "forbidden" or filtered. T0532 70 :WG 1gpqA 88 :KT T0532 73 :SMEDY 1gpqA 91 :QEKLT Number of specific fragments extracted= 2 number of extra gaps= 2 total=23926 # 1q74A.70.48 read from T0532.t2k.many.frag # found chain 1q74A in training set T0532 70 :WGESMEDYQ 1q74A 49 :IGDRWAQLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=23927 # 1xjvA.70.263 read from T0532.t2k.many.frag # found chain 1xjvA in training set Warning: unaligning (T0532)W70 (1xjvA)T269 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)G71 (1xjvA)S270 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1xjvA)Y271 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1xjvA)G274 because Y (epsilon') conformation "forbidden" or filtered. T0532 73 :SM 1xjvA 272 :GR T0532 76 :DYQ 1xjvA 275 :IRV Number of specific fragments extracted= 2 number of extra gaps= 2 total=23929 # 1k0mA.70.160 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)G71 (1k0mA)V162 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1k0mA)R165 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :W 1k0mA 161 :G T0532 72 :ES 1k0mA 163 :SQ T0532 75 :EDYQ 1k0mA 166 :KFLD Number of specific fragments extracted= 3 number of extra gaps= 2 total=23932 # 1f1mA.70.43 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)G71 (1f1mA)S82 because N (gamma') conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1f1mA)D83 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :W 1f1mA 81 :K T0532 73 :SMEDYQ 1f1mA 84 :VSLDNE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23934 # 1pprM.70.150 read from T0532.t2k.many.frag # found chain 1pprM in template set Warning: unaligning (T0532)W70 (1pprM)V151 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1pprM)A155 because P (beta_P) conformation "forbidden" or filtered. T0532 71 :GES 1pprM 152 :TSA T0532 75 :EDYQ 1pprM 156 :GPAT Number of specific fragments extracted= 2 number of extra gaps= 2 total=23936 # 1jkeA.70.85 read from T0532.t2k.many.frag # found chain 1jkeA in training set Warning: unaligning (T0532)E72 (1jkeA)G88 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1jkeA)M89 because G (3-10) conformation "forbidden" or filtered. T0532 70 :WG 1jkeA 86 :ER T0532 74 :MEDYQ 1jkeA 90 :RPSFS Number of specific fragments extracted= 2 number of extra gaps= 1 total=23938 # 1zgmA.70.125 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)W70 (1zgmA)L114 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1zgmA)G116 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1zgmA)G117 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1zgmA)R118 because G (3-10) conformation "forbidden" or filtered. T0532 71 :G 1zgmA 115 :N T0532 75 :EDYQ 1zgmA 119 :EMWT Number of specific fragments extracted= 2 number of extra gaps= 2 total=23940 # 1chmA.70.114 read from T0532.t2k.many.frag # found chain 1chmA in template set Warning: unaligning (T0532)E72 because of BadResidue code BAD_PEPTIDE in next template residue (1chmA)R119 Warning: unaligning (T0532)S73 because of BadResidue code BAD_PEPTIDE at template residue (1chmA)R119 T0532 70 :WG 1chmA 116 :PK T0532 74 :MEDYQ 1chmA 120 :RIGIE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23942 # 1bvoA.70.89 read from T0532.t2k.many.frag # found chain 1bvoA in template set Warning: unaligning (T0532)S73 (1bvoA)M140 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1bvoA)Y142 because E (beta_S) conformation "forbidden" or filtered. T0532 70 :WGE 1bvoA 137 :STT T0532 74 :M 1bvoA 141 :S T0532 76 :DYQ 1bvoA 143 :TFN Number of specific fragments extracted= 3 number of extra gaps= 2 total=23945 # 1mk0A.70.11 read from T0532.t2k.many.frag # found chain 1mk0A in training set Warning: unaligning (T0532)G71 (1mk0A)N13 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1mk0A)N14 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)Y77 (1mk0A)G19 because Y (epsilon') conformation "forbidden" or filtered. T0532 70 :W 1mk0A 12 :L T0532 73 :SMED 1mk0A 15 :KVYV T0532 78 :Q 1mk0A 20 :S Number of specific fragments extracted= 3 number of extra gaps= 2 total=23948 # 1vqrA.71.106 read from T0532.t2k.many.frag # found chain 1vqrA in template set Warning: unaligning (T0532)D76 (1vqrA)K100 because E (beta_S) conformation "forbidden" or filtered. T0532 71 :GESME 1vqrA 95 :IRDNF T0532 77 :YQY 1vqrA 101 :IDV Number of specific fragments extracted= 2 number of extra gaps= 1 total=23950 # 1s28A.71.49 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)D76 (1s28A)L55 because E (beta_S) conformation "forbidden" or filtered. T0532 71 :GESME 1s28A 50 :KWVYF T0532 77 :YQY 1s28A 56 :SDI Number of specific fragments extracted= 2 number of extra gaps= 1 total=23952 # 2akaA.71.312 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 71 :GESMEDYQY 2akaA 302 :ESFNYLNQS Number of specific fragments extracted= 1 number of extra gaps= 0 total=23953 # 1nnlA.71.139 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)G71 (1nnlA)N140 because G (3-10) conformation "forbidden" or filtered. T0532 72 :ESMEDYQY 1nnlA 141 :GEYAGFDE Number of specific fragments extracted= 1 number of extra gaps= 1 total=23954 # 2basA.71.140 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 71 :GESMEDYQY 2basA 117 :HRFVLEITE Number of specific fragments extracted= 1 number of extra gaps= 0 total=23955 # 2al2A.71.202 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)E75 (2al2A)N207 because P (beta_P) conformation "forbidden" or filtered. T0532 71 :GESM 2al2A 203 :ASAG T0532 76 :DYQY 2al2A 208 :VGDE Number of specific fragments extracted= 2 number of extra gaps= 1 total=23957 # 1sfxA.71.71 read from T0532.t2k.many.frag # found chain 1sfxA in training set Warning: unaligning (T0532)E72 (1sfxA)W72 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1sfxA)G74 because Y (epsilon') conformation "forbidden" or filtered. T0532 71 :G 1sfxA 71 :G T0532 73 :S 1sfxA 73 :V T0532 75 :EDYQY 1sfxA 75 :YIYSA Number of specific fragments extracted= 3 number of extra gaps= 2 total=23960 # 1c4oA.71.100 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)G71 (1c4oA)K102 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1c4oA)E107 because P (beta_P) conformation "forbidden" or filtered. T0532 72 :ESME 1c4oA 103 :DLYI T0532 77 :YQY 1c4oA 108 :KDA Number of specific fragments extracted= 2 number of extra gaps= 2 total=23962 # 1mgtA.71.77 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)Y79 (1mgtA)F86 because L (left) conformation "forbidden" or filtered. T0532 71 :GESMEDYQ 1mgtA 78 :ASFLRELS Number of specific fragments extracted= 1 number of extra gaps= 1 total=23963 # 1lkkA.71.65 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)S73 (1lkkA)G189 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1lkkA)G190 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1lkkA)Y192 because Y (epsilon') conformation "forbidden" or filtered. T0532 71 :GE 1lkkA 187 :DN T0532 75 :E 1lkkA 191 :F T0532 77 :YQY 1lkkA 193 :ISP Number of specific fragments extracted= 3 number of extra gaps= 2 total=23966 # 3seb.71.193 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)S73 (3seb)F196 because Y (epsilon') conformation "forbidden" or filtered. T0532 71 :GE 3seb 194 :NS T0532 74 :MEDYQY 3seb 197 :WYDMMP Number of specific fragments extracted= 2 number of extra gaps= 1 total=23968 # 1xeaA.71.249 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 71 :GESMEDYQY 1xeaA 250 :QESRVALKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23969 # 1g8kA.71.294 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)G71 (1g8kA)R295 because G (3-10) conformation "forbidden" or filtered. T0532 72 :ESMEDYQY 1g8kA 296 :VLHLAIEP Number of specific fragments extracted= 1 number of extra gaps= 1 total=23970 # 1zk4A.71.53 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 71 :GESMEDYQY 1zk4A 54 :DQIQFFQHD Number of specific fragments extracted= 1 number of extra gaps= 0 total=23971 # 1reqB.71.389 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)D76 (1reqB)N396 because P (beta_P) conformation "forbidden" or filtered. T0532 71 :GESME 1reqB 391 :NIGRV T0532 77 :YQY 1reqB 397 :DPA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23973 # 1i24A.71.177 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)S73 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 71 :GE 1i24A 168 :RT T0532 74 :MEDYQY 1i24A 171 :TLPYPK Number of specific fragments extracted= 2 number of extra gaps= 1 total=23975 # 1gvhA.71.38 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 71 :GESMEDYQY 1gvhA 39 :LKEIFNMSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=23976 # 1gpqA.71.88 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)E75 (1gpqA)K93 because E (beta_S) conformation "forbidden" or filtered. T0532 71 :GESM 1gpqA 89 :TSQE T0532 76 :DYQY 1gpqA 94 :LTWL Number of specific fragments extracted= 2 number of extra gaps= 1 total=23978 # 1q74A.71.49 read from T0532.t2k.many.frag # found chain 1q74A in training set Warning: unaligning (T0532)M74 (1q74A)W53 because G (3-10) conformation "forbidden" or filtered. T0532 71 :GES 1q74A 50 :GDR T0532 75 :EDYQY 1q74A 54 :AQLTA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23980 # 1m4lA.71.274 read from T0532.t2k.many.frag # found chain 1m4lA in training set Warning: unaligning (T0532)M74 (1m4lA)G278 because S (epsilon) conformation "forbidden" or filtered. T0532 71 :GES 1m4lA 275 :GRY T0532 75 :EDYQY 1m4lA 279 :FLLPA Number of specific fragments extracted= 2 number of extra gaps= 1 total=23982 # 1f1mA.71.44 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)E72 (1f1mA)D83 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1f1mA)D87 because E (beta_S) conformation "forbidden" or filtered. T0532 71 :G 1f1mA 82 :S T0532 73 :SME 1f1mA 84 :VSL T0532 77 :YQY 1f1mA 88 :NEA Number of specific fragments extracted= 3 number of extra gaps= 2 total=23985 1zymA expands to /projects/compbio/data/pdb/1zym.pdb.gz 1zymA:# 1zymA.71.24 read from T0532.t2k.many.frag # adding 1zymA to template set # found chain 1zymA in template set T0532 71 :GESMEDYQY 1zymA 25 :VIDRKKISA Number of specific fragments extracted= 1 number of extra gaps= 0 total=23986 # 1chmA.71.115 read from T0532.t2k.many.frag # found chain 1chmA in template set Warning: unaligning (T0532)E72 because of BadResidue code BAD_PEPTIDE in next template residue (1chmA)R119 Warning: unaligning (T0532)S73 because of BadResidue code BAD_PEPTIDE at template residue (1chmA)R119 T0532 71 :G 1chmA 117 :K T0532 74 :MEDYQY 1chmA 120 :RIGIEH Number of specific fragments extracted= 2 number of extra gaps= 1 total=23988 # 1i24A.71.176 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)M74 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1i24A)L172 because E (beta_S) conformation "forbidden" or filtered. T0532 71 :GES 1i24A 167 :GRT T0532 75 :E 1i24A 171 :T T0532 77 :YQY 1i24A 173 :PYP Number of specific fragments extracted= 3 number of extra gaps= 2 total=23991 # 1k0mA.71.161 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)E72 (1k0mA)S163 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1k0mA)R165 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1k0mA)F167 because Y (epsilon') conformation "forbidden" or filtered. T0532 71 :G 1k0mA 162 :V T0532 73 :S 1k0mA 164 :Q T0532 75 :E 1k0mA 166 :K T0532 77 :YQY 1k0mA 168 :LDG Number of specific fragments extracted= 4 number of extra gaps= 3 total=23995 # 1gbs.71.151 read from T0532.t2k.many.frag # found chain 1gbs in training set Warning: unaligning (T0532)G71 (1gbs)G152 because H (helix) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1gbs)S156 because Y (epsilon') conformation "forbidden" or filtered. T0532 72 :ESM 1gbs 153 :NVR T0532 76 :DYQY 1gbs 157 :YARM Number of specific fragments extracted= 2 number of extra gaps= 2 total=23997 # 1xjvA.71.264 read from T0532.t2k.many.frag # found chain 1xjvA in training set Warning: unaligning (T0532)G71 (1xjvA)S270 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E72 (1xjvA)Y271 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1xjvA)G272 because T (delta_L) conformation "forbidden" or filtered. T0532 74 :MEDYQY 1xjvA 273 :RGIRVL Number of specific fragments extracted= 1 number of extra gaps= 1 total=23998 # 1pprM.71.151 read from T0532.t2k.many.frag # found chain 1pprM in template set Warning: unaligning (T0532)Q78 (1pprM)T159 because P (beta_P) conformation "forbidden" or filtered. T0532 71 :GESMEDY 1pprM 152 :TSAAGPA T0532 79 :Y 1pprM 160 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=24000 # 1jkeA.71.86 read from T0532.t2k.many.frag # found chain 1jkeA in training set Warning: unaligning (T0532)G71 (1jkeA)R87 because E (beta_S) conformation "forbidden" or filtered. T0532 72 :ESMEDYQY 1jkeA 88 :GMRPSFSK Number of specific fragments extracted= 1 number of extra gaps= 1 total=24001 # 1zgmA.71.126 read from T0532.t2k.many.frag # found chain 1zgmA in template set Warning: unaligning (T0532)E72 (1zgmA)G116 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)S73 (1zgmA)G117 because Y (epsilon') conformation "forbidden" or filtered. T0532 71 :G 1zgmA 115 :N T0532 74 :MEDYQY 1zgmA 118 :REMWTP Number of specific fragments extracted= 2 number of extra gaps= 1 total=24003 # 1vqrA.72.107 read from T0532.t2k.many.frag # found chain 1vqrA in template set Warning: unaligning (T0532)Q78 (1vqrA)D102 because D (zeta) conformation "forbidden" or filtered. T0532 72 :ESMEDY 1vqrA 96 :RDNFKI T0532 79 :YN 1vqrA 103 :VS Number of specific fragments extracted= 2 number of extra gaps= 1 total=24005 # 2basA.72.141 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 72 :ESMEDYQYN 2basA 118 :RFVLEITEH Number of specific fragments extracted= 1 number of extra gaps= 0 total=24006 # 1s28A.72.50 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)S73 (1s28A)V52 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1s28A)G59 because S (epsilon) conformation "forbidden" or filtered. T0532 72 :E 1s28A 51 :W T0532 74 :MEDYQY 1s28A 53 :YFLSDI Number of specific fragments extracted= 2 number of extra gaps= 2 total=24008 # 1nnlA.72.140 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)Y79 (1nnlA)E148 because G (3-10) conformation "forbidden" or filtered. T0532 72 :ESMEDYQ 1nnlA 141 :GEYAGFD T0532 80 :N 1nnlA 149 :T Number of specific fragments extracted= 2 number of extra gaps= 1 total=24010 # 2akaA.72.313 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)N80 (2akaA)G311 because T (delta_L) conformation "forbidden" or filtered. T0532 72 :ESMEDYQY 2akaA 303 :SFNYLNQS Number of specific fragments extracted= 1 number of extra gaps= 1 total=24011 # 2al2A.72.203 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)Y79 (2al2A)E211 because G (3-10) conformation "forbidden" or filtered. T0532 72 :ESMEDYQ 2al2A 204 :SAGNVGD T0532 80 :N 2al2A 212 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=24013 # 1c4oA.72.101 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)E72 (1c4oA)D103 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1c4oA)E107 because P (beta_P) conformation "forbidden" or filtered. T0532 73 :SME 1c4oA 104 :LYI T0532 77 :YQYN 1c4oA 108 :KDAS Number of specific fragments extracted= 2 number of extra gaps= 2 total=24015 # 1sfxA.72.72 read from T0532.t2k.many.frag # found chain 1sfxA in training set T0532 72 :ESMEDYQYN 1sfxA 72 :WVGYIYSAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24016 # 1mgtA.72.78 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)Y79 (1mgtA)F86 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1mgtA)E87 because P (beta_P) conformation "forbidden" or filtered. T0532 72 :ESMEDYQ 1mgtA 79 :SFLRELS Number of specific fragments extracted= 1 number of extra gaps= 1 total=24017 # 1lkkA.72.66 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)S73 (1lkkA)G189 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)M74 (1lkkA)G190 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1lkkA)Y192 because Y (epsilon') conformation "forbidden" or filtered. T0532 72 :E 1lkkA 188 :N T0532 75 :E 1lkkA 191 :F T0532 77 :YQYN 1lkkA 193 :ISPR Number of specific fragments extracted= 3 number of extra gaps= 2 total=24020 # 1xeaA.72.250 read from T0532.t2k.many.frag # found chain 1xeaA in template set Warning: unaligning (T0532)E72 (1xeaA)E251 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1xeaA)V254 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1xeaA)A255 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1xeaA)W259 because L (left) conformation "forbidden" or filtered. T0532 73 :SM 1xeaA 252 :SR T0532 77 :YQY 1xeaA 256 :LKD Number of specific fragments extracted= 2 number of extra gaps= 3 total=24022 # 1g8kA.72.295 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)N80 (1g8kA)G304 because T (delta_L) conformation "forbidden" or filtered. T0532 72 :ESMEDYQY 1g8kA 296 :VLHLAIEP Number of specific fragments extracted= 1 number of extra gaps= 1 total=24023 # 1gpqA.72.89 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)E72 (1gpqA)S90 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1gpqA)N98 because L (left) conformation "forbidden" or filtered. T0532 73 :SMEDYQY 1gpqA 91 :QEKLTWL Number of specific fragments extracted= 1 number of extra gaps= 2 total=24024 # 3seb.72.194 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)E72 (3seb)S195 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (3seb)A203 because P (beta_P) conformation "forbidden" or filtered. T0532 73 :SMEDYQY 3seb 196 :FWYDMMP Number of specific fragments extracted= 1 number of extra gaps= 2 total=24025 # 1reqB.72.390 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)D76 (1reqB)N396 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Y77 (1reqB)D397 because L (left) conformation "forbidden" or filtered. T0532 72 :ESME 1reqB 392 :IGRV T0532 78 :QYN 1reqB 398 :PAG Number of specific fragments extracted= 2 number of extra gaps= 1 total=24027 # 1i24A.72.178 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)S73 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 72 :E 1i24A 169 :T T0532 74 :MEDYQYN 1i24A 171 :TLPYPKQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=24029 # 1zk4A.72.54 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 72 :ESMEDYQYN 1zk4A 55 :QIQFFQHDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24030 # 1i24A.72.177 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)D76 (1i24A)L172 because E (beta_S) conformation "forbidden" or filtered. T0532 72 :ESME 1i24A 168 :RTDT T0532 77 :YQYN 1i24A 173 :PYPK Number of specific fragments extracted= 2 number of extra gaps= 1 total=24032 # 1f1mA.72.45 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)E72 (1f1mA)D83 because Y (epsilon') conformation "forbidden" or filtered. T0532 73 :SMEDYQYN 1f1mA 84 :VSLDNEAD Number of specific fragments extracted= 1 number of extra gaps= 1 total=24033 # 1h1nA.72.124 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)S73 (1h1nA)V126 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1h1nA)D131 because Y (epsilon') conformation "forbidden" or filtered. T0532 72 :E 1h1nA 125 :L T0532 74 :MEDY 1h1nA 127 :IFDT T0532 79 :YN 1h1nA 132 :NE Number of specific fragments extracted= 3 number of extra gaps= 2 total=24036 1t3gA expands to /projects/compbio/data/pdb/1t3g.pdb.gz 1t3gA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1t3gA.72.102 read from T0532.t2k.many.frag # adding 1t3gA to template set # found chain 1t3gA in template set T0532 72 :ESMEDYQYN 1t3gA 505 :IKVILIECS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24037 # 1zymA.72.25 read from T0532.t2k.many.frag # found chain 1zymA in template set Warning: unaligning (T0532)E75 (1zymA)K29 because P (beta_P) conformation "forbidden" or filtered. T0532 72 :ESM 1zymA 26 :IDR T0532 76 :DYQYN 1zymA 30 :KISAD Number of specific fragments extracted= 2 number of extra gaps= 1 total=24039 # 1gvhA.72.39 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 72 :ESMEDYQYN 1gvhA 40 :KEIFNMSNQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24040 # 1m4lA.72.275 read from T0532.t2k.many.frag # found chain 1m4lA in training set T0532 72 :ESMEDYQYN 1m4lA 276 :RYGFLLPAS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24041 # 1q74A.72.50 read from T0532.t2k.many.frag # found chain 1q74A in training set T0532 72 :ESMEDYQYN 1q74A 51 :DRWAQLTAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24042 1t0qB expands to /projects/compbio/data/pdb/1t0q.pdb.gz 1t0qB:# 1t0qB.72.71 read from T0532.t2k.many.frag # adding 1t0qB to template set # found chain 1t0qB in template set Warning: unaligning (T0532)Y79 (1t0qB)D79 because G (3-10) conformation "forbidden" or filtered. T0532 72 :ESMEDYQ 1t0qB 72 :WNAFRDP T0532 80 :N 1t0qB 80 :Q Number of specific fragments extracted= 2 number of extra gaps= 1 total=24044 1vf7A expands to /projects/compbio/data/pdb/1vf7.pdb.gz 1vf7A:# 1vf7A.72.68 read from T0532.t2k.many.frag # adding 1vf7A to template set # found chain 1vf7A in template set T0532 72 :ESMEDYQYN 1vf7A 66 :QQLYQIDPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24045 # 1chmA.72.116 read from T0532.t2k.many.frag # found chain 1chmA in template set Warning: unaligning (T0532)E72 because of BadResidue code BAD_PEPTIDE in next template residue (1chmA)R119 Warning: unaligning (T0532)S73 because of BadResidue code BAD_PEPTIDE at template residue (1chmA)R119 T0532 74 :MEDYQYN 1chmA 120 :RIGIEHD Number of specific fragments extracted= 1 number of extra gaps= 1 total=24046 # 1k0mA.72.162 read from T0532.t2k.many.frag # found chain 1k0mA in training set Warning: unaligning (T0532)M74 (1k0mA)R165 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1k0mA)F167 because Y (epsilon') conformation "forbidden" or filtered. T0532 72 :ES 1k0mA 163 :SQ T0532 75 :E 1k0mA 166 :K T0532 77 :YQYN 1k0mA 168 :LDGN Number of specific fragments extracted= 3 number of extra gaps= 2 total=24049 # 1pprM.72.152 read from T0532.t2k.many.frag # found chain 1pprM in template set Warning: unaligning (T0532)E75 (1pprM)G156 because P (beta_P) conformation "forbidden" or filtered. T0532 72 :ESM 1pprM 153 :SAA T0532 76 :DYQYN 1pprM 157 :PATVP Number of specific fragments extracted= 2 number of extra gaps= 1 total=24051 # 1vqrA.73.108 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 73 :SMEDYQYNV 1vqrA 97 :DNFKIDVSP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24052 # 2basA.73.142 read from T0532.t2k.many.frag # found chain 2basA in template set Warning: unaligning (T0532)S73 (2basA)F119 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (2basA)L121 because N (gamma') conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (2basA)N127 because G (3-10) conformation "forbidden" or filtered. T0532 74 :M 2basA 120 :V T0532 76 :DYQYN 2basA 122 :EITEH Number of specific fragments extracted= 2 number of extra gaps= 3 total=24054 # 1s28A.73.51 read from T0532.t2k.many.frag # found chain 1s28A in template set T0532 73 :SMEDYQYNV 1s28A 52 :VYFLSDIGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24055 # 1nnlA.73.141 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)S73 (1nnlA)E142 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1nnlA)G145 because S (epsilon) conformation "forbidden" or filtered. T0532 74 :ME 1nnlA 143 :YA T0532 77 :YQYNV 1nnlA 146 :FDETQ Number of specific fragments extracted= 2 number of extra gaps= 2 total=24057 # 2akaA.73.314 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)N80 (2akaA)G311 because T (delta_L) conformation "forbidden" or filtered. T0532 73 :SMEDYQY 2akaA 304 :FNYLNQS T0532 81 :V 2akaA 312 :C Number of specific fragments extracted= 2 number of extra gaps= 1 total=24059 # 1c4oA.73.102 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)D76 (1c4oA)E107 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. T0532 73 :SME 1c4oA 104 :LYI T0532 77 :YQY 1c4oA 108 :KDA T0532 81 :V 1c4oA 112 :I Number of specific fragments extracted= 3 number of extra gaps= 2 total=24062 # 2al2A.73.204 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)E75 (2al2A)N207 because P (beta_P) conformation "forbidden" or filtered. T0532 73 :SM 2al2A 205 :AG T0532 76 :DYQYNV 2al2A 208 :VGDEGG Number of specific fragments extracted= 2 number of extra gaps= 1 total=24064 # 1mgtA.73.79 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)Y79 (1mgtA)F86 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1mgtA)E87 because P (beta_P) conformation "forbidden" or filtered. T0532 73 :SMEDYQ 1mgtA 80 :FLRELS T0532 81 :V 1mgtA 88 :G Number of specific fragments extracted= 2 number of extra gaps= 1 total=24066 # 1xeaA.73.251 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 73 :SMEDYQYNV 1xeaA 252 :SRVALKDWT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24067 # 1sfxA.73.73 read from T0532.t2k.many.frag # found chain 1sfxA in training set Warning: unaligning (T0532)M74 (1sfxA)G74 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1sfxA)S78 because E (beta_S) conformation "forbidden" or filtered. T0532 73 :S 1sfxA 73 :V T0532 75 :EDY 1sfxA 75 :YIY T0532 79 :YNV 1sfxA 79 :AEK Number of specific fragments extracted= 3 number of extra gaps= 2 total=24070 # 1gpqA.73.90 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)D76 (1gpqA)L94 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1gpqA)N98 because L (left) conformation "forbidden" or filtered. T0532 73 :SME 1gpqA 91 :QEK T0532 77 :YQY 1gpqA 95 :TWL T0532 81 :V 1gpqA 99 :V Number of specific fragments extracted= 3 number of extra gaps= 2 total=24073 # 1lkkA.73.67 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)M74 (1lkkA)G190 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1lkkA)F191 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1lkkA)Y192 because Y (epsilon') conformation "forbidden" or filtered. T0532 73 :S 1lkkA 189 :G T0532 77 :YQYNV 1lkkA 193 :ISPRI Number of specific fragments extracted= 2 number of extra gaps= 1 total=24075 # 1t3gA.73.103 read from T0532.t2k.many.frag # found chain 1t3gA in template set T0532 73 :SMEDYQYNV 1t3gA 506 :KVILIECSE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24076 # 1i24A.73.179 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)S73 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)E75 (1i24A)L172 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1i24A)P175 because P (beta_P) conformation "forbidden" or filtered. T0532 74 :M 1i24A 171 :T T0532 76 :DY 1i24A 173 :PY T0532 79 :YNV 1i24A 176 :KQA Number of specific fragments extracted= 3 number of extra gaps= 3 total=24079 # 1reqB.73.391 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)Y77 (1reqB)D397 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 T0532 73 :SMED 1reqB 393 :GRVN T0532 78 :QYN 1reqB 398 :PAG Number of specific fragments extracted= 2 number of extra gaps= 2 total=24081 # 1g8kA.73.296 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)V81 (1g8kA)T305 because G (3-10) conformation "forbidden" or filtered. T0532 73 :SMEDYQYN 1g8kA 297 :LHLAIEPG Number of specific fragments extracted= 1 number of extra gaps= 1 total=24082 # 1h1nA.73.125 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)E75 (1h1nA)F128 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1h1nA)D131 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1h1nA)E133 because L (left) conformation "forbidden" or filtered. T0532 73 :SM 1h1nA 126 :VI T0532 76 :DY 1h1nA 129 :DT T0532 79 :Y 1h1nA 132 :N T0532 81 :V 1h1nA 134 :Y Number of specific fragments extracted= 4 number of extra gaps= 3 total=24086 # 1f1mA.73.46 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 73 :SMEDYQYNV 1f1mA 84 :VSLDNEADH Number of specific fragments extracted= 1 number of extra gaps= 0 total=24087 # 1i24A.73.178 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)M74 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1i24A)Y174 because P (beta_P) conformation "forbidden" or filtered. T0532 73 :S 1i24A 169 :T T0532 75 :EDY 1i24A 171 :TLP T0532 79 :YNV 1i24A 175 :PKQ Number of specific fragments extracted= 3 number of extra gaps= 2 total=24090 # 3seb.73.195 read from T0532.t2k.many.frag # found chain 3seb in training set T0532 73 :SMEDYQYNV 3seb 196 :FWYDMMPAP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24091 # 1zymA.73.26 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 73 :SMEDYQYNV 1zymA 27 :DRKKISADQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24092 # 1zk4A.73.55 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 73 :SMEDYQYNV 1zk4A 56 :IQFFQHDSS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24093 # 1t0qB.73.72 read from T0532.t2k.many.frag # found chain 1t0qB in template set Warning: unaligning (T0532)E75 (1t0qB)F75 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1t0qB)Q80 because L (left) conformation "forbidden" or filtered. T0532 73 :SM 1t0qB 73 :NA T0532 76 :DYQY 1t0qB 76 :RDPD T0532 81 :V 1t0qB 81 :L Number of specific fragments extracted= 3 number of extra gaps= 2 total=24096 # 1vf7A.73.69 read from T0532.t2k.many.frag # found chain 1vf7A in template set Warning: unaligning (T0532)D76 (1vf7A)Q70 because E (beta_S) conformation "forbidden" or filtered. T0532 73 :SME 1vf7A 67 :QLY T0532 77 :YQYNV 1vf7A 71 :IDPAT Number of specific fragments extracted= 2 number of extra gaps= 1 total=24098 # 1pinA.73.120 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)M74 (1pinA)L122 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1pinA)G128 because T (delta_L) conformation "forbidden" or filtered. T0532 73 :S 1pinA 121 :D T0532 75 :EDYQY 1pinA 123 :GAFSR T0532 81 :V 1pinA 129 :Q Number of specific fragments extracted= 3 number of extra gaps= 2 total=24101 # 1mtyB.73.130 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 73 :SMEDYQYNV 1mtyB 136 :MNPTWRDEF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24102 2bfdB expands to /projects/compbio/data/pdb/2bfd.pdb.gz 2bfdB:Skipped atom 3423, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3424, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3425, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3426, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3427, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3428, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3429, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3430, because occupancy 0.410 <= existing 0.590 in 2bfdB Skipped atom 3520, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3521, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3522, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3523, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3524, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3525, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3526, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3527, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 3676, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3677, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3678, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3679, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3680, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3681, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3682, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3683, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3684, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3685, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3686, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3687, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3688, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3689, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3690, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3691, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3692, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3693, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3694, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3695, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3696, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 3697, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4356, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4357, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4358, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4359, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4360, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4361, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4362, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4363, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4364, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4365, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4405, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4406, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4407, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4408, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4409, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4410, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4411, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4412, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4413, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4414, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4415, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4416, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4417, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4418, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4419, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4420, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4421, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4422, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4423, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4424, because occupancy 0.330 <= existing 0.330 in 2bfdB Skipped atom 4446, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4447, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4448, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4449, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4450, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4451, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4516, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4517, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4518, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4519, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4520, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4521, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 4795, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 4796, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 4797, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 4798, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 4799, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 4800, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 4801, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 4802, because occupancy 0.280 <= existing 0.720 in 2bfdB Skipped atom 5148, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5149, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5150, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5151, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5152, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5153, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5154, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5155, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5156, because occupancy 0.440 <= existing 0.560 in 2bfdB Skipped atom 5446, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5447, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5448, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5449, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5450, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5451, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5452, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5453, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5454, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5455, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5456, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5563, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5564, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5565, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5566, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5567, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5568, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5598, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5599, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5600, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5601, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5602, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5603, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5627, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5628, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5629, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5630, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5631, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5632, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5633, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5634, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5635, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5730, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5731, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5732, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5733, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5734, because occupancy 0.500 <= existing 0.500 in 2bfdB Skipped atom 5735, because occupancy 0.500 <= existing 0.500 in 2bfdB # 2bfdB.73.310 read from T0532.t2k.many.frag # adding 2bfdB to template set # found chain 2bfdB in template set Warning: unaligning (T0532)N80 (2bfdB)T315 because E (beta_S) conformation "forbidden" or filtered. T0532 73 :SMEDYQY 2bfdB 308 :SRVCGYD T0532 81 :V 2bfdB 316 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=24104 # 1gvhA.73.40 read from T0532.t2k.many.frag # found chain 1gvhA in template set T0532 73 :SMEDYQYNV 1gvhA 41 :EIFNMSNQR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24105 # 1m4lA.73.276 read from T0532.t2k.many.frag # found chain 1m4lA in training set Warning: unaligning (T0532)M74 (1m4lA)G278 because S (epsilon) conformation "forbidden" or filtered. T0532 73 :S 1m4lA 277 :Y T0532 75 :EDYQYNV 1m4lA 279 :FLLPASQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=24107 # 1c4oA.73.101 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)S73 (1c4oA)D103 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1c4oA)I106 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. T0532 74 :ME 1c4oA 104 :LY T0532 77 :YQYN 1c4oA 107 :EKDA Number of specific fragments extracted= 2 number of extra gaps= 3 total=24109 # 1vqrA.74.109 read from T0532.t2k.many.frag # found chain 1vqrA in template set Warning: unaligning (T0532)D76 (1vqrA)K100 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)F82 (1vqrA)Y106 because G (3-10) conformation "forbidden" or filtered. T0532 74 :ME 1vqrA 98 :NF T0532 77 :YQYNV 1vqrA 101 :IDVSP Number of specific fragments extracted= 2 number of extra gaps= 2 total=24111 # 2basA.74.143 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 74 :MEDYQYNVF 2basA 120 :VLEITEHNF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24112 # 1s28A.74.52 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)D76 (1s28A)L55 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1s28A)G59 because S (epsilon) conformation "forbidden" or filtered. T0532 74 :ME 1s28A 53 :YF T0532 77 :YQY 1s28A 56 :SDI T0532 81 :VF 1s28A 60 :VI Number of specific fragments extracted= 3 number of extra gaps= 2 total=24115 # 1nnlA.74.142 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)M74 (1nnlA)Y143 because P (beta_P) conformation "forbidden" or filtered. T0532 75 :EDYQYNVF 1nnlA 144 :AGFDETQP Number of specific fragments extracted= 1 number of extra gaps= 1 total=24116 # 1mgtA.74.80 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)Y79 (1mgtA)F86 because L (left) conformation "forbidden" or filtered. T0532 74 :MEDYQ 1mgtA 81 :LRELS T0532 80 :NVF 1mgtA 87 :EGV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24118 # 1xeaA.74.252 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 74 :MEDYQYNVF 1xeaA 253 :RVALKDWTP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24119 # 2akaA.74.315 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 74 :MEDYQYNVF 2akaA 305 :NYLNQSGCV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24120 # 1c4oA.74.103 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)N80 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. T0532 74 :MEDYQY 1c4oA 105 :YIEKDA T0532 81 :VF 1c4oA 112 :IN Number of specific fragments extracted= 2 number of extra gaps= 1 total=24122 # 2al2A.74.205 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)D76 (2al2A)V208 because E (beta_S) conformation "forbidden" or filtered. T0532 74 :ME 2al2A 206 :GN T0532 77 :YQYNVF 2al2A 209 :GDEGGV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24124 # 1sfxA.74.74 read from T0532.t2k.many.frag # found chain 1sfxA in training set Warning: unaligning (T0532)M74 (1sfxA)G74 because Y (epsilon') conformation "forbidden" or filtered. T0532 75 :EDYQYNVF 1sfxA 75 :YIYSAEKP Number of specific fragments extracted= 1 number of extra gaps= 1 total=24125 # 1gpqA.74.91 read from T0532.t2k.many.frag # found chain 1gpqA in template set Warning: unaligning (T0532)N80 (1gpqA)N98 because L (left) conformation "forbidden" or filtered. T0532 74 :MEDYQY 1gpqA 92 :EKLTWL T0532 81 :VF 1gpqA 99 :VN Number of specific fragments extracted= 2 number of extra gaps= 1 total=24127 # 1f1mA.74.47 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)F82 (1f1mA)N93 because G (3-10) conformation "forbidden" or filtered. T0532 74 :MEDYQYNV 1f1mA 85 :SLDNEADH Number of specific fragments extracted= 1 number of extra gaps= 1 total=24128 # 1t3gA.74.104 read from T0532.t2k.many.frag # found chain 1t3gA in template set T0532 74 :MEDYQYNVF 1t3gA 507 :VILIECSEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24129 # 1i24A.74.180 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 74 :MEDYQYNVF 1i24A 171 :TLPYPKQAS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24130 # 1zymA.74.27 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 74 :MEDYQYNVF 1zymA 28 :RKKISADQV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24131 # 1lkkA.74.68 read from T0532.t2k.many.frag # found chain 1lkkA in training set Warning: unaligning (T0532)M74 (1lkkA)G190 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1lkkA)Y192 because Y (epsilon') conformation "forbidden" or filtered. T0532 75 :E 1lkkA 191 :F T0532 77 :YQYNVF 1lkkA 193 :ISPRIT Number of specific fragments extracted= 2 number of extra gaps= 2 total=24133 # 1reqB.74.392 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)Y77 (1reqB)D397 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 74 :MED 1reqB 394 :RVN T0532 78 :QYN 1reqB 398 :PAG Number of specific fragments extracted= 2 number of extra gaps= 2 total=24135 # 1i24A.74.179 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)M74 (1i24A)D170 because Y (epsilon') conformation "forbidden" or filtered. T0532 75 :EDYQYNVF 1i24A 171 :TLPYPKQA Number of specific fragments extracted= 1 number of extra gaps= 1 total=24136 # 1t0qB.74.73 read from T0532.t2k.many.frag # found chain 1t0qB in template set T0532 74 :MEDYQYNVF 1t0qB 74 :AFRDPDQLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24137 # 1h1nA.74.126 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)D76 (1h1nA)D129 because E (beta_S) conformation "forbidden" or filtered. T0532 74 :ME 1h1nA 127 :IF T0532 77 :YQYNVF 1h1nA 130 :TDNEYH Number of specific fragments extracted= 2 number of extra gaps= 1 total=24139 # 1vf7A.74.70 read from T0532.t2k.many.frag # found chain 1vf7A in template set T0532 74 :MEDYQYNVF 1vf7A 68 :LYQIDPATY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24140 # 1mtyB.74.131 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 74 :MEDYQYNVF 1mtyB 137 :NPTWRDEFI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24141 # 2bfdB.74.311 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)D76 (2bfdB)C311 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (2bfdB)Y313 because P (beta_P) conformation "forbidden" or filtered. T0532 74 :ME 2bfdB 309 :RV T0532 77 :Y 2bfdB 312 :G T0532 79 :YNVF 2bfdB 314 :DTPF Number of specific fragments extracted= 3 number of extra gaps= 2 total=24144 # 1g8kA.74.297 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)Q78 (1g8kA)E302 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (1g8kA)T305 because G (3-10) conformation "forbidden" or filtered. T0532 74 :MEDY 1g8kA 298 :HLAI T0532 79 :YN 1g8kA 303 :PG T0532 82 :F 1g8kA 306 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=24147 # 1zk4A.74.56 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 74 :MEDYQYNVF 1zk4A 57 :QFFQHDSSD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24148 # 1pinA.74.121 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)E75 (1pinA)G123 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1pinA)A124 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)Y77 (1pinA)F125 because Y (epsilon') conformation "forbidden" or filtered. T0532 74 :M 1pinA 122 :L T0532 78 :QYNVF 1pinA 126 :SRGQM Number of specific fragments extracted= 2 number of extra gaps= 1 total=24150 # 1bupA.74.293 read from T0532.t2k.many.frag # found chain 1bupA in training set Warning: unaligning (T0532)E75 (1bupA)T295 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D76 (1bupA)S296 because Y (epsilon') conformation "forbidden" or filtered. T0532 74 :M 1bupA 294 :Y T0532 77 :YQYNVF 1bupA 297 :ITRARF Number of specific fragments extracted= 2 number of extra gaps= 1 total=24152 # 1c93A.74.51 read from T0532.t2k.many.frag # found chain 1c93A in template set T0532 74 :MEDYQYNVF 1c93A 57 :AYLHFNENV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24153 # 3seb.74.196 read from T0532.t2k.many.frag # found chain 3seb in training set Warning: unaligning (T0532)Y77 (3seb)M200 because G (3-10) conformation "forbidden" or filtered. T0532 74 :MED 3seb 197 :WYD T0532 78 :QYNVF 3seb 201 :MPAPG Number of specific fragments extracted= 2 number of extra gaps= 1 total=24155 # 2fckA.74.97 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)E75 (2fckA)A96 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (2fckA)G99 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)Y79 (2fckA)Y100 because Y (epsilon') conformation "forbidden" or filtered. T0532 74 :M 2fckA 95 :M T0532 76 :DY 2fckA 97 :SL T0532 80 :NVF 2fckA 101 :WIG Number of specific fragments extracted= 3 number of extra gaps= 2 total=24158 # 1vqrA.75.110 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 75 :EDYQYNVFG 1vqrA 99 :FKIDVSPYG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24159 # 2basA.75.144 read from T0532.t2k.many.frag # found chain 2basA in template set Warning: unaligning (T0532)D76 (2basA)E122 because P (beta_P) conformation "forbidden" or filtered. T0532 75 :E 2basA 121 :L T0532 77 :YQYNVFG 2basA 123 :ITEHNFE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24161 # 1s28A.75.53 read from T0532.t2k.many.frag # found chain 1s28A in template set T0532 75 :EDYQYNVFG 1s28A 54 :FLSDIGVID Number of specific fragments extracted= 1 number of extra gaps= 0 total=24162 # 1f1mA.75.48 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)D76 (1f1mA)D87 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1f1mA)G94 because H (helix) conformation "forbidden" or filtered. T0532 75 :E 1f1mA 86 :L T0532 77 :YQYNVF 1f1mA 88 :NEADHN Number of specific fragments extracted= 2 number of extra gaps= 2 total=24164 # 1mgtA.75.81 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 75 :EDYQYNVFG 1mgtA 82 :RELSFEGVT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24165 # 1xeaA.75.253 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 75 :EDYQYNVFG 1xeaA 254 :VALKDWTPM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24166 # 1nnlA.75.143 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)D76 (1nnlA)G145 because S (epsilon) conformation "forbidden" or filtered. T0532 75 :E 1nnlA 144 :A T0532 77 :YQYNVFG 1nnlA 146 :FDETQPT Number of specific fragments extracted= 2 number of extra gaps= 1 total=24168 # 1c4oA.75.104 read from T0532.t2k.many.frag # found chain 1c4oA in template set T0532 75 :EDYQYNVFG 1c4oA 106 :IEKDASINP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24169 # 2akaA.75.316 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)F82 (2akaA)V313 because G (3-10) conformation "forbidden" or filtered. T0532 75 :EDYQYNV 2akaA 306 :YLNQSGC T0532 83 :G 2akaA 314 :D Number of specific fragments extracted= 2 number of extra gaps= 1 total=24171 # 1vf7A.75.71 read from T0532.t2k.many.frag # found chain 1vf7A in template set T0532 75 :EDYQYNVFG 1vf7A 69 :YQIDPATYE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24172 # 1zymA.75.28 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 75 :EDYQYNVFG 1zymA 29 :KKISADQVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24173 # 1sfxA.75.75 read from T0532.t2k.many.frag # found chain 1sfxA in training set T0532 75 :EDYQYNVFG 1sfxA 75 :YIYSAEKPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24174 # 2al2A.75.206 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)G83 (2al2A)A215 because D (zeta) conformation "forbidden" or filtered. T0532 75 :EDYQYNVF 2al2A 207 :NVGDEGGV Number of specific fragments extracted= 1 number of extra gaps= 1 total=24175 # 1t3gA.75.105 read from T0532.t2k.many.frag # found chain 1t3gA in template set Warning: unaligning (T0532)E75 (1t3gA)I508 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1t3gA)S513 because P (beta_P) conformation "forbidden" or filtered. T0532 76 :DYQY 1t3gA 509 :LIEC T0532 81 :VFG 1t3gA 514 :ELR Number of specific fragments extracted= 2 number of extra gaps= 2 total=24177 # 1mtyB.75.132 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 75 :EDYQYNVFG 1mtyB 138 :PTWRDEFIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24178 # 1t0qB.75.74 read from T0532.t2k.many.frag # found chain 1t0qB in template set Warning: unaligning (T0532)N80 (1t0qB)Q80 because L (left) conformation "forbidden" or filtered. T0532 75 :EDYQY 1t0qB 75 :FRDPD T0532 81 :VFG 1t0qB 81 :LVY Number of specific fragments extracted= 2 number of extra gaps= 1 total=24180 1s12A expands to /projects/compbio/data/pdb/1s12.pdb.gz 1s12A:# 1s12A.75.51 read from T0532.t2k.many.frag # adding 1s12A to template set # found chain 1s12A in template set Warning: unaligning (T0532)Q78 (1s12A)K55 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (1s12A)E58 because L (left) conformation "forbidden" or filtered. T0532 75 :EDY 1s12A 52 :LKV T0532 79 :YN 1s12A 56 :FE T0532 82 :FG 1s12A 59 :LE Number of specific fragments extracted= 3 number of extra gaps= 2 total=24183 # 1i24A.75.181 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 75 :EDYQYNVFG 1i24A 172 :LPYPKQASS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24184 # 1i24A.75.180 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)G83 (1i24A)S179 because G (3-10) conformation "forbidden" or filtered. T0532 75 :EDYQYNVF 1i24A 171 :TLPYPKQA Number of specific fragments extracted= 1 number of extra gaps= 1 total=24185 # 1reqB.75.393 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)Y77 (1reqB)D397 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1reqB)G400 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 75 :ED 1reqB 395 :VN T0532 78 :QY 1reqB 398 :PA T0532 83 :G 1reqB 403 :Y Number of specific fragments extracted= 3 number of extra gaps= 2 total=24188 # 1bupA.75.294 read from T0532.t2k.many.frag # found chain 1bupA in training set Warning: unaligning (T0532)D76 (1bupA)S296 because Y (epsilon') conformation "forbidden" or filtered. T0532 75 :E 1bupA 295 :T T0532 77 :YQYNVFG 1bupA 297 :ITRARFE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24190 # 1gpqA.75.92 read from T0532.t2k.many.frag # found chain 1gpqA in template set T0532 75 :EDYQYNVFG 1gpqA 93 :KLTWLNVND Number of specific fragments extracted= 1 number of extra gaps= 0 total=24191 # 1h1nA.75.127 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)Q78 (1h1nA)D131 because Y (epsilon') conformation "forbidden" or filtered. T0532 75 :EDY 1h1nA 128 :FDT T0532 79 :YNVFG 1h1nA 132 :NEYHD Number of specific fragments extracted= 2 number of extra gaps= 1 total=24193 # 1lkkA.75.69 read from T0532.t2k.many.frag # found chain 1lkkA in training set T0532 75 :EDYQYNVFG 1lkkA 191 :FYISPRITF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24194 # 2bfdB.75.312 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)G83 (2bfdB)P318 because P (beta_P) conformation "forbidden" or filtered. T0532 75 :EDYQYNVF 2bfdB 310 :VCGYDTPF Number of specific fragments extracted= 1 number of extra gaps= 1 total=24195 # 1g8kA.75.298 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)N80 (1g8kA)G304 because T (delta_L) conformation "forbidden" or filtered. T0532 75 :EDYQY 1g8kA 299 :LAIEP T0532 81 :VFG 1g8kA 305 :TDT Number of specific fragments extracted= 2 number of extra gaps= 1 total=24197 # 1zk4A.75.57 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 75 :EDYQYNVFG 1zk4A 58 :FFQHDSSDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24198 # 2fckA.75.98 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)D76 (2fckA)S97 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (2fckA)G99 because Y (epsilon') conformation "forbidden" or filtered. T0532 75 :E 2fckA 96 :A T0532 77 :Y 2fckA 98 :L T0532 79 :YNVFG 2fckA 100 :YWIGD Number of specific fragments extracted= 3 number of extra gaps= 2 total=24201 # 1pinA.75.122 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)N80 (1pinA)G128 because T (delta_L) conformation "forbidden" or filtered. T0532 75 :EDYQY 1pinA 123 :GAFSR T0532 81 :VFG 1pinA 129 :QMQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=24203 # 1zgmA.75.130 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 75 :EDYQYNVFG 1zgmA 119 :EMWTPEKWQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24204 # 2basA.76.145 read from T0532.t2k.many.frag # found chain 2basA in template set Warning: unaligning (T0532)D76 (2basA)E122 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (2basA)N127 because G (3-10) conformation "forbidden" or filtered. T0532 77 :YQYN 2basA 123 :ITEH T0532 82 :FGR 2basA 128 :FEG Number of specific fragments extracted= 2 number of extra gaps= 2 total=24206 # 1vqrA.76.111 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 76 :DYQYNVFGR 1vqrA 100 :KIDVSPYGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24207 # 1f1mA.76.49 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)D76 (1f1mA)D87 because E (beta_S) conformation "forbidden" or filtered. T0532 77 :YQYNVFGR 1f1mA 88 :NEADHNGS Number of specific fragments extracted= 1 number of extra gaps= 1 total=24208 # 1s28A.76.54 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)N80 (1s28A)G59 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1s28A)D62 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)R84 (1s28A)N63 because S (epsilon) conformation "forbidden" or filtered. T0532 76 :DYQY 1s28A 55 :LSDI T0532 81 :VF 1s28A 60 :VI Number of specific fragments extracted= 2 number of extra gaps= 2 total=24210 # 1mgtA.76.82 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)Y79 (1mgtA)F86 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1mgtA)T90 because P (beta_P) conformation "forbidden" or filtered. T0532 76 :DYQ 1mgtA 83 :ELS T0532 80 :NVF 1mgtA 87 :EGV T0532 84 :R 1mgtA 91 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=24213 # 1s12A.76.52 read from T0532.t2k.many.frag # found chain 1s12A in template set Warning: unaligning (T0532)V81 (1s12A)E58 because L (left) conformation "forbidden" or filtered. T0532 76 :DYQYN 1s12A 53 :KVKFE T0532 82 :FGR 1s12A 59 :LEN Number of specific fragments extracted= 2 number of extra gaps= 1 total=24215 # 1t0qB.76.75 read from T0532.t2k.many.frag # found chain 1t0qB in template set Warning: unaligning (T0532)D76 (1t0qB)R76 because E (beta_S) conformation "forbidden" or filtered. T0532 77 :YQYNVFGR 1t0qB 77 :DPDQLVYR Number of specific fragments extracted= 1 number of extra gaps= 1 total=24216 # 1c4oA.76.105 read from T0532.t2k.many.frag # found chain 1c4oA in template set T0532 76 :DYQYNVFGR 1c4oA 107 :EKDASINPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24217 # 1vf7A.76.72 read from T0532.t2k.many.frag # found chain 1vf7A in template set Warning: unaligning (T0532)Q78 (1vf7A)D72 because P (beta_P) conformation "forbidden" or filtered. T0532 76 :DY 1vf7A 70 :QI T0532 79 :YNVFGR 1vf7A 73 :PATYEA Number of specific fragments extracted= 2 number of extra gaps= 1 total=24219 # 1zymA.76.29 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 76 :DYQYNVFGR 1zymA 30 :KISADQVDQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24220 # 1xeaA.76.254 read from T0532.t2k.many.frag # found chain 1xeaA in template set Warning: unaligning (T0532)D76 (1xeaA)A255 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1xeaA)K257 because P (beta_P) conformation "forbidden" or filtered. T0532 77 :Y 1xeaA 256 :L T0532 79 :YNVFGR 1xeaA 258 :DWTPML Number of specific fragments extracted= 2 number of extra gaps= 2 total=24222 # 1mtyB.76.133 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 76 :DYQYNVFGR 1mtyB 139 :TWRDEFINR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24223 # 1nnlA.76.144 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)Y77 (1nnlA)F146 because Y (epsilon') conformation "forbidden" or filtered. T0532 76 :D 1nnlA 145 :G T0532 78 :QYNVFGR 1nnlA 147 :DETQPTA Number of specific fragments extracted= 2 number of extra gaps= 1 total=24225 # 2akaA.76.317 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 76 :DYQYNVFGR 2akaA 307 :LNQSGCVDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24226 # 1i24A.76.182 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)G83 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 76 :DYQYNVF 1i24A 173 :PYPKQAS T0532 84 :R 1i24A 181 :F Number of specific fragments extracted= 2 number of extra gaps= 1 total=24228 # 1i24A.76.181 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)R84 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 76 :DYQYNVFG 1i24A 172 :LPYPKQAS Number of specific fragments extracted= 1 number of extra gaps= 1 total=24229 # 1reqB.76.394 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)Y77 (1reqB)D397 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 76 :D 1reqB 396 :N T0532 78 :QYN 1reqB 398 :PAG T0532 83 :GR 1reqB 403 :YY Number of specific fragments extracted= 3 number of extra gaps= 2 total=24232 # 1zk4A.76.58 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 76 :DYQYNVFGR 1zk4A 59 :FQHDSSDED Number of specific fragments extracted= 1 number of extra gaps= 0 total=24233 # 2al2A.76.207 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)N80 (2al2A)G212 because T (delta_L) conformation "forbidden" or filtered. T0532 76 :DYQY 2al2A 208 :VGDE T0532 81 :VFGR 2al2A 213 :GVAP Number of specific fragments extracted= 2 number of extra gaps= 1 total=24235 # 1bupA.76.295 read from T0532.t2k.many.frag # found chain 1bupA in training set Warning: unaligning (T0532)D76 (1bupA)S296 because Y (epsilon') conformation "forbidden" or filtered. T0532 77 :YQYNVFGR 1bupA 297 :ITRARFEE Number of specific fragments extracted= 1 number of extra gaps= 1 total=24236 # 1t3gA.76.106 read from T0532.t2k.many.frag # found chain 1t3gA in template set Warning: unaligning (T0532)N80 (1t3gA)S513 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1t3gA)R516 because E (beta_S) conformation "forbidden" or filtered. T0532 76 :DYQY 1t3gA 509 :LIEC T0532 81 :VF 1t3gA 514 :EL T0532 84 :R 1t3gA 517 :G Number of specific fragments extracted= 3 number of extra gaps= 2 total=24239 # 1sfxA.76.76 read from T0532.t2k.many.frag # found chain 1sfxA in training set T0532 76 :DYQYNVFGR 1sfxA 76 :IYSAEKPEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24240 # 1h1nA.76.128 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)D76 (1h1nA)D129 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)Q78 (1h1nA)D131 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1h1nA)E133 because L (left) conformation "forbidden" or filtered. T0532 77 :Y 1h1nA 130 :T T0532 79 :Y 1h1nA 132 :N T0532 81 :VFGR 1h1nA 134 :YHDM Number of specific fragments extracted= 3 number of extra gaps= 3 total=24243 # 1t2dA.76.287 read from T0532.t2k.many.frag # found chain 1t2dA in training set Warning: unaligning (T0532)D76 (1t2dA)Q287 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1t2dA)L291 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1t2dA)N294 because P (beta_P) conformation "forbidden" or filtered. T0532 77 :YQY 1t2dA 288 :VIE T0532 81 :VF 1t2dA 292 :QL T0532 84 :R 1t2dA 295 :S Number of specific fragments extracted= 3 number of extra gaps= 3 total=24246 # 2fckA.76.99 read from T0532.t2k.many.frag # found chain 2fckA in template set Warning: unaligning (T0532)Q78 (2fckA)G99 because Y (epsilon') conformation "forbidden" or filtered. T0532 76 :DY 2fckA 97 :SL T0532 79 :YNVFGR 2fckA 100 :YWIGDR Number of specific fragments extracted= 2 number of extra gaps= 1 total=24248 # 1zgmA.76.131 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 76 :DYQYNVFGR 1zgmA 120 :MWTPEKWQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24249 # 1g8kA.76.299 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)N80 (1g8kA)G304 because T (delta_L) conformation "forbidden" or filtered. T0532 76 :DYQY 1g8kA 300 :AIEP T0532 81 :VFGR 1g8kA 305 :TDTA Number of specific fragments extracted= 2 number of extra gaps= 1 total=24251 # 1pinA.76.123 read from T0532.t2k.many.frag # found chain 1pinA in training set Warning: unaligning (T0532)N80 (1pinA)G128 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1pinA)Q131 because P (beta_P) conformation "forbidden" or filtered. T0532 76 :DYQY 1pinA 124 :AFSR T0532 81 :VF 1pinA 129 :QM T0532 84 :R 1pinA 132 :K Number of specific fragments extracted= 3 number of extra gaps= 2 total=24254 # 2bfdB.76.313 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)G83 (2bfdB)P318 because P (beta_P) conformation "forbidden" or filtered. T0532 76 :DYQYNVF 2bfdB 311 :CGYDTPF T0532 84 :R 2bfdB 319 :H Number of specific fragments extracted= 2 number of extra gaps= 1 total=24256 # 1c4oA.76.104 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)Q78 (1c4oA)K108 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1c4oA)N113 because P (beta_P) conformation "forbidden" or filtered. T0532 76 :DY 1c4oA 106 :IE T0532 79 :YNVF 1c4oA 109 :DASI T0532 84 :R 1c4oA 114 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=24259 # 1vqrA.77.112 read from T0532.t2k.many.frag # found chain 1vqrA in template set Warning: unaligning (T0532)Q78 (1vqrA)D102 because D (zeta) conformation "forbidden" or filtered. T0532 77 :Y 1vqrA 101 :I T0532 79 :YNVFGRS 1vqrA 103 :VSPYGLN Number of specific fragments extracted= 2 number of extra gaps= 1 total=24261 # 1f1mA.77.50 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)G83 (1f1mA)G94 because H (helix) conformation "forbidden" or filtered. T0532 77 :YQYNVF 1f1mA 88 :NEADHN T0532 84 :RS 1f1mA 95 :SL Number of specific fragments extracted= 2 number of extra gaps= 1 total=24263 # 2basA.77.146 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 77 :YQYNVFGRS 2basA 123 :ITEHNFEGD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24264 # 1s12A.77.53 read from T0532.t2k.many.frag # found chain 1s12A in template set Warning: unaligning (T0532)V81 (1s12A)E58 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1s12A)E60 because E (beta_S) conformation "forbidden" or filtered. T0532 77 :YQYN 1s12A 54 :VKFE T0532 82 :F 1s12A 59 :L T0532 84 :RS 1s12A 61 :NC Number of specific fragments extracted= 3 number of extra gaps= 2 total=24267 # 1t0qB.77.76 read from T0532.t2k.many.frag # found chain 1t0qB in template set T0532 77 :YQYNVFGRS 1t0qB 77 :DPDQLVYRT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24268 # 1s28A.77.55 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)R84 (1s28A)N63 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (1s28A)L64 because T (delta_L) conformation "forbidden" or filtered. T0532 77 :YQYNVFG 1s28A 56 :SDIGVID Number of specific fragments extracted= 1 number of extra gaps= 1 total=24269 # 1mgtA.77.83 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)Y79 (1mgtA)F86 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (1mgtA)G88 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1mgtA)T90 because P (beta_P) conformation "forbidden" or filtered. T0532 77 :YQ 1mgtA 84 :LS T0532 80 :N 1mgtA 87 :E T0532 82 :F 1mgtA 89 :V T0532 84 :RS 1mgtA 91 :PF Number of specific fragments extracted= 4 number of extra gaps= 3 total=24273 # 1c4oA.77.106 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)N80 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. T0532 77 :YQY 1c4oA 108 :KDA T0532 81 :VFGRS 1c4oA 112 :INPEI Number of specific fragments extracted= 2 number of extra gaps= 1 total=24275 # 1mtyB.77.134 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 77 :YQYNVFGRS 1mtyB 140 :WRDEFINRY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24276 # 1zymA.77.30 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 77 :YQYNVFGRS 1zymA 31 :ISADQVDQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24277 # 1vf7A.77.73 read from T0532.t2k.many.frag # found chain 1vf7A in template set T0532 77 :YQYNVFGRS 1vf7A 71 :IDPATYEAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24278 # 1zk4A.77.59 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 77 :YQYNVFGRS 1zk4A 60 :QHDSSDEDG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24279 # 1i24A.77.183 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 77 :YQYNVFGRS 1i24A 174 :YPKQASSFY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24280 # 1t2dA.77.288 read from T0532.t2k.many.frag # found chain 1t2dA in training set T0532 77 :YQYNVFGRS 1t2dA 288 :VIELQLNSE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24281 # 1i24A.77.182 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)R84 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 77 :YQYNVFG 1i24A 173 :PYPKQAS T0532 85 :S 1i24A 181 :F Number of specific fragments extracted= 2 number of extra gaps= 1 total=24283 # 1reqB.77.395 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 77 :YQYN 1reqB 397 :DPAG T0532 83 :GRS 1reqB 403 :YYV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24285 # 1xeaA.77.255 read from T0532.t2k.many.frag # found chain 1xeaA in template set Warning: unaligning (T0532)N80 (1xeaA)W259 because L (left) conformation "forbidden" or filtered. T0532 77 :YQY 1xeaA 256 :LKD T0532 81 :VFGRS 1xeaA 260 :TPMLA Number of specific fragments extracted= 2 number of extra gaps= 1 total=24287 # 1mc2A.77.72 read from T0532.t2k.many.frag # found chain 1mc2A in training set Warning: unaligning (T0532)G83 (1mc2A)Q1089 because P (beta_P) conformation "forbidden" or filtered. T0532 77 :YQYNVF 1mc2A 1082 :IVCGKN T0532 84 :RS 1mc2A 1090 :PC Number of specific fragments extracted= 2 number of extra gaps= 1 total=24289 # 2akaA.77.318 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 77 :YQYNVFGRS 2akaA 308 :NQSGCVDIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24290 # 1mvlA.77.136 read from T0532.t2k.many.frag # found chain 1mvlA in template set T0532 77 :YQYNVFGRS 1mvlA 137 :VAPAMNTLM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24291 # 1c4oA.77.105 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)V81 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1c4oA)N113 because P (beta_P) conformation "forbidden" or filtered. T0532 77 :YQYN 1c4oA 107 :EKDA T0532 82 :F 1c4oA 112 :I T0532 84 :RS 1c4oA 114 :PE Number of specific fragments extracted= 3 number of extra gaps= 2 total=24294 # 2al2A.77.208 read from T0532.t2k.many.frag # found chain 2al2A in template set T0532 77 :YQYNVFGRS 2al2A 209 :GDEGGVAPN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24295 # 1t3gA.77.107 read from T0532.t2k.many.frag # found chain 1t3gA in template set Warning: unaligning (T0532)G83 (1t3gA)R516 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)R84 (1t3gA)G517 because S (epsilon) conformation "forbidden" or filtered. T0532 77 :YQYNVF 1t3gA 510 :IECSEL T0532 85 :S 1t3gA 518 :I Number of specific fragments extracted= 2 number of extra gaps= 1 total=24297 # 1bupA.77.296 read from T0532.t2k.many.frag # found chain 1bupA in training set Warning: unaligning (T0532)Q78 (1bupA)T298 because P (beta_P) conformation "forbidden" or filtered. T0532 77 :Y 1bupA 297 :I T0532 79 :YNVFGRS 1bupA 299 :RARFEEL Number of specific fragments extracted= 2 number of extra gaps= 1 total=24299 # 1nnlA.77.145 read from T0532.t2k.many.frag # found chain 1nnlA in training set Warning: unaligning (T0532)Y79 (1nnlA)E148 because G (3-10) conformation "forbidden" or filtered. T0532 77 :YQ 1nnlA 146 :FD T0532 80 :NVFGRS 1nnlA 149 :TQPTAE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24301 # 1h1nA.77.129 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)Q78 (1h1nA)D131 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1h1nA)E133 because L (left) conformation "forbidden" or filtered. T0532 77 :Y 1h1nA 130 :T T0532 79 :Y 1h1nA 132 :N T0532 81 :VFGRS 1h1nA 134 :YHDMD Number of specific fragments extracted= 3 number of extra gaps= 2 total=24304 # 1sfxA.77.77 read from T0532.t2k.many.frag # found chain 1sfxA in training set T0532 77 :YQYNVFGRS 1sfxA 77 :YSAEKPEKV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24305 # 1yvrA.77.212 read from T0532.t2k.many.frag # found chain 1yvrA in template set Warning: unaligning (T0532)Y79 (1yvrA)E215 because T (delta_L) conformation "forbidden" or filtered. T0532 77 :YQ 1yvrA 213 :YK T0532 80 :NVFGRS 1yvrA 216 :KELSPE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24307 # 1vlaA.77.45 read from T0532.t2k.many.frag # found chain 1vlaA in training set Warning: unaligning (T0532)Q78 (1vlaA)A35 because Y (epsilon') conformation "forbidden" or filtered. T0532 77 :Y 1vlaA 34 :A T0532 79 :YNVFGRS 1vlaA 36 :PRPLELV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24309 # 1zgmA.77.132 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 77 :YQYNVFGRS 1zgmA 121 :WTPEKWQEF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24310 # 1f1mA.78.51 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)N80 (1f1mA)D91 because L (left) conformation "forbidden" or filtered. T0532 78 :QY 1f1mA 89 :EA T0532 81 :VFGRSG 1f1mA 92 :HNGSLM Number of specific fragments extracted= 2 number of extra gaps= 1 total=24312 # 1vqrA.78.113 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 78 :QYNVFGRSG 1vqrA 102 :DVSPYGLNT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24313 # 2basA.78.147 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 78 :QYNVFGRSG 2basA 124 :TEHNFEGDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24314 # 1t0qB.78.77 read from T0532.t2k.many.frag # found chain 1t0qB in template set T0532 78 :QYNVFGRSG 1t0qB 78 :PDQLVYRTY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24315 # 1s12A.78.54 read from T0532.t2k.many.frag # found chain 1s12A in template set Warning: unaligning (T0532)Q78 (1s12A)K55 because P (beta_P) conformation "forbidden" or filtered. T0532 79 :YNVFGRSG 1s12A 56 :FEELENCE Number of specific fragments extracted= 1 number of extra gaps= 1 total=24316 # 1s28A.78.56 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)N80 (1s28A)G59 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (1s28A)L64 because T (delta_L) conformation "forbidden" or filtered. T0532 78 :QY 1s28A 57 :DI T0532 81 :VFGR 1s28A 60 :VIDN T0532 86 :G 1s28A 65 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=24319 # 1c4oA.78.107 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)N80 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. T0532 78 :QY 1c4oA 109 :DA T0532 81 :VFGRSG 1c4oA 112 :INPEIE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24321 # 1mtyB.78.135 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 78 :QYNVFGRSG 1mtyB 141 :RDEFINRYW Number of specific fragments extracted= 1 number of extra gaps= 0 total=24322 # 1mgtA.78.84 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 78 :QYNVFGRSG 1mgtA 85 :SFEGVTPFE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24323 # 1mc2A.78.73 read from T0532.t2k.many.frag # found chain 1mc2A in training set Warning: unaligning (T0532)G83 (1mc2A)Q1089 because P (beta_P) conformation "forbidden" or filtered. T0532 78 :QYNVF 1mc2A 1083 :VCGKN T0532 84 :RSG 1mc2A 1090 :PCM Number of specific fragments extracted= 2 number of extra gaps= 1 total=24325 # 1zymA.78.31 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 78 :QYNVFGRSG 1zymA 32 :SADQVDQEV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24326 # 1i24A.78.184 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)F82 (1i24A)S179 because G (3-10) conformation "forbidden" or filtered. T0532 78 :QYNV 1i24A 175 :PKQA T0532 83 :GRSG 1i24A 180 :SFYH Number of specific fragments extracted= 2 number of extra gaps= 1 total=24328 # 1zk4A.78.60 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 78 :QYNVFGRSG 1zk4A 61 :HDSSDEDGW Number of specific fragments extracted= 1 number of extra gaps= 0 total=24329 # 1t2dA.78.289 read from T0532.t2k.many.frag # found chain 1t2dA in training set Warning: unaligning (T0532)G83 (1t2dA)N294 because P (beta_P) conformation "forbidden" or filtered. T0532 78 :QYNVF 1t2dA 289 :IELQL T0532 84 :RSG 1t2dA 295 :SEE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24331 # 1reqB.78.396 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 78 :QYN 1reqB 398 :PAG T0532 83 :GRSG 1reqB 403 :YYVE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24333 # 1i24A.78.183 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)Q78 (1i24A)Y174 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1i24A)S179 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)R84 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 79 :YNVF 1i24A 175 :PKQA T0532 85 :SG 1i24A 181 :FY Number of specific fragments extracted= 2 number of extra gaps= 2 total=24335 # 1vf7A.78.74 read from T0532.t2k.many.frag # found chain 1vf7A in template set Warning: unaligning (T0532)Y79 (1vf7A)P73 because G (3-10) conformation "forbidden" or filtered. T0532 78 :Q 1vf7A 72 :D T0532 80 :NVFGRSG 1vf7A 74 :ATYEADY Number of specific fragments extracted= 2 number of extra gaps= 1 total=24337 # 2akaA.78.319 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)F82 (2akaA)V313 because G (3-10) conformation "forbidden" or filtered. T0532 78 :QYNV 2akaA 309 :QSGC T0532 83 :GRSG 2akaA 314 :DIKG Number of specific fragments extracted= 2 number of extra gaps= 1 total=24339 # 1c4oA.78.106 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)V81 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1c4oA)N113 because P (beta_P) conformation "forbidden" or filtered. T0532 78 :QYN 1c4oA 108 :KDA T0532 82 :F 1c4oA 112 :I T0532 84 :RSG 1c4oA 114 :PEI Number of specific fragments extracted= 3 number of extra gaps= 2 total=24342 # 1mvlA.78.137 read from T0532.t2k.many.frag # found chain 1mvlA in template set T0532 78 :QYNVFGRSG 1mvlA 138 :APAMNTLMW Number of specific fragments extracted= 1 number of extra gaps= 0 total=24343 # 1xeaA.78.256 read from T0532.t2k.many.frag # found chain 1xeaA in template set T0532 78 :QYNVFGRSG 1xeaA 257 :KDWTPMLAS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24344 # 1h1nA.78.130 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)Q78 (1h1nA)D131 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (1h1nA)E133 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)R84 (1h1nA)M137 because Y (epsilon') conformation "forbidden" or filtered. T0532 79 :Y 1h1nA 132 :N T0532 81 :VFG 1h1nA 134 :YHD T0532 85 :SG 1h1nA 138 :DQ Number of specific fragments extracted= 3 number of extra gaps= 3 total=24347 # 2al2A.78.209 read from T0532.t2k.many.frag # found chain 2al2A in template set T0532 78 :QYNVFGRSG 2al2A 210 :DEGGVAPNI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24348 # 1odzA.78.131 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)G86 (1odzA)Y177 because G (3-10) conformation "forbidden" or filtered. T0532 78 :QYNVFGRS 1odzA 169 :VDSLPGGA Number of specific fragments extracted= 1 number of extra gaps= 1 total=24349 # 1o7qA.78.108 read from T0532.t2k.many.frag # found chain 1o7qA in training set Warning: unaligning (T0532)N80 (1o7qA)K190 because P (beta_P) conformation "forbidden" or filtered. T0532 78 :QY 1o7qA 188 :KI T0532 81 :VFGRSG 1o7qA 191 :PEKRWQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=24351 # 1yvrA.78.213 read from T0532.t2k.many.frag # found chain 1yvrA in template set Warning: unaligning (T0532)Q78 (1yvrA)K214 because P (beta_P) conformation "forbidden" or filtered. T0532 79 :YNVFGRSG 1yvrA 215 :EKELSPET Number of specific fragments extracted= 1 number of extra gaps= 1 total=24352 # 1vlaA.78.46 read from T0532.t2k.many.frag # found chain 1vlaA in training set Warning: unaligning (T0532)Q78 (1vlaA)A35 because Y (epsilon') conformation "forbidden" or filtered. T0532 79 :YNVFGRSG 1vlaA 36 :PRPLELVL Number of specific fragments extracted= 1 number of extra gaps= 1 total=24353 # 2bfdB.78.315 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)G86 (2bfdB)F321 because G (3-10) conformation "forbidden" or filtered. T0532 78 :QYNVFGRS 2bfdB 313 :YDTPFPHI Number of specific fragments extracted= 1 number of extra gaps= 1 total=24354 # 1t3gA.78.108 read from T0532.t2k.many.frag # found chain 1t3gA in template set Warning: unaligning (T0532)N80 (1t3gA)S513 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)R84 (1t3gA)G517 because S (epsilon) conformation "forbidden" or filtered. T0532 78 :QY 1t3gA 511 :EC T0532 81 :VFG 1t3gA 514 :ELR T0532 85 :SG 1t3gA 518 :IM Number of specific fragments extracted= 3 number of extra gaps= 2 total=24357 # 1g8kA.78.301 read from T0532.t2k.many.frag # found chain 1g8kA in training set Warning: unaligning (T0532)N80 (1g8kA)G304 because T (delta_L) conformation "forbidden" or filtered. T0532 78 :QY 1g8kA 302 :EP T0532 81 :VFGRSG 1g8kA 305 :TDTALF Number of specific fragments extracted= 2 number of extra gaps= 1 total=24359 # 1f1mA.79.52 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)N80 (1f1mA)D91 because L (left) conformation "forbidden" or filtered. T0532 79 :Y 1f1mA 90 :A T0532 81 :VFGRSGF 1f1mA 92 :HNGSLMS Number of specific fragments extracted= 2 number of extra gaps= 1 total=24361 # 1vqrA.79.114 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 79 :YNVFGRSGF 1vqrA 103 :VSPYGLNTQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24362 # 2basA.79.148 read from T0532.t2k.many.frag # found chain 2basA in template set Warning: unaligning (T0532)S85 (2basA)D131 because P (beta_P) conformation "forbidden" or filtered. T0532 79 :YNVFGR 2basA 125 :EHNFEG T0532 86 :GF 2basA 132 :IE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24364 # 1t0qB.79.78 read from T0532.t2k.many.frag # found chain 1t0qB in template set Warning: unaligning (T0532)Y79 (1t0qB)D79 because G (3-10) conformation "forbidden" or filtered. T0532 80 :NVFGRSGF 1t0qB 80 :QLVYRTYN Number of specific fragments extracted= 1 number of extra gaps= 1 total=24365 # 1s12A.79.55 read from T0532.t2k.many.frag # found chain 1s12A in template set Warning: unaligning (T0532)V81 (1s12A)E58 because L (left) conformation "forbidden" or filtered. T0532 79 :YN 1s12A 56 :FE T0532 82 :FGRSGF 1s12A 59 :LENCEV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24367 # 1mtyB.79.136 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 79 :YNVFGRSGF 1mtyB 142 :DEFINRYWG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24368 # 1mc2A.79.74 read from T0532.t2k.many.frag # found chain 1mc2A in training set Warning: unaligning (T0532)G83 (1mc2A)Q1089 because P (beta_P) conformation "forbidden" or filtered. T0532 79 :YNVF 1mc2A 1084 :CGKN T0532 84 :RSGF 1mc2A 1090 :PCMQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=24370 # 1s28A.79.57 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)G83 (1s28A)D62 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (1s28A)L64 because T (delta_L) conformation "forbidden" or filtered. T0532 79 :YNVF 1s28A 58 :IGVI T0532 84 :R 1s28A 63 :N T0532 86 :GF 1s28A 65 :DS Number of specific fragments extracted= 3 number of extra gaps= 2 total=24373 # 1c4oA.79.108 read from T0532.t2k.many.frag # found chain 1c4oA in template set T0532 79 :YNVFGRSGF 1c4oA 110 :ASINPEIER Number of specific fragments extracted= 1 number of extra gaps= 0 total=24374 # 1mgtA.79.85 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)Y79 (1mgtA)F86 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (1mgtA)G88 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1mgtA)T90 because P (beta_P) conformation "forbidden" or filtered. T0532 80 :N 1mgtA 87 :E T0532 82 :F 1mgtA 89 :V T0532 84 :RSGF 1mgtA 91 :PFEK Number of specific fragments extracted= 3 number of extra gaps= 3 total=24377 # 1zymA.79.32 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 79 :YNVFGRSGF 1zymA 33 :ADQVDQEVE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24378 # 1i24A.79.185 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 79 :YNVFGRSGF 1i24A 176 :KQASSFYHL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24379 # 1jf8A.79.103 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 79 :YNVFGRSGF 1jf8A 104 :DDPAGKEWS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24380 # 1reqB.79.397 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 79 :YN 1reqB 399 :AG T0532 83 :GRSGF 1reqB 403 :YYVES Number of specific fragments extracted= 2 number of extra gaps= 1 total=24382 # 1i24A.79.184 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)G83 (1i24A)S179 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)R84 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 79 :YNVF 1i24A 175 :PKQA T0532 85 :SGF 1i24A 181 :FYH Number of specific fragments extracted= 2 number of extra gaps= 1 total=24384 # 1o7qA.79.201 read from T0532.t2k.many.frag # found chain 1o7qA in training set Warning: unaligning (T0532)G83 (1o7qA)G285 because Y (epsilon') conformation "forbidden" or filtered. T0532 79 :YNVF 1o7qA 281 :AAIF T0532 84 :RSGF 1o7qA 286 :GTPT Number of specific fragments extracted= 2 number of extra gaps= 1 total=24386 # 1t2dA.79.290 read from T0532.t2k.many.frag # found chain 1t2dA in training set Warning: unaligning (T0532)N80 (1t2dA)L291 because P (beta_P) conformation "forbidden" or filtered. T0532 79 :Y 1t2dA 290 :E T0532 81 :VFGRSGF 1t2dA 292 :QLNSEEK Number of specific fragments extracted= 2 number of extra gaps= 1 total=24388 # 1o7qA.79.109 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 79 :YNVFGRSGF 1o7qA 189 :IKPEKRWQD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24389 # 1zk4A.79.61 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 79 :YNVFGRSGF 1zk4A 62 :DSSDEDGWT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24390 # 1odzA.79.132 read from T0532.t2k.many.frag # found chain 1odzA in training set T0532 79 :YNVFGRSGF 1odzA 170 :DSLPGGAYN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24391 # 1c4oA.79.107 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)V81 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1c4oA)N113 because P (beta_P) conformation "forbidden" or filtered. T0532 79 :YN 1c4oA 109 :DA T0532 82 :F 1c4oA 112 :I T0532 84 :RSGF 1c4oA 114 :PEIE Number of specific fragments extracted= 3 number of extra gaps= 2 total=24394 # 1yvrA.79.214 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 79 :YNVFGRSGF 1yvrA 215 :EKELSPETE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24395 # 1h1nA.79.131 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)F82 (1h1nA)H135 because Y (epsilon') conformation "forbidden" or filtered. T0532 79 :YNV 1h1nA 132 :NEY T0532 83 :GRSGF 1h1nA 136 :DMDQT Number of specific fragments extracted= 2 number of extra gaps= 1 total=24397 # 2bw3A.79.236 read from T0532.t2k.many.frag # found chain 2bw3A in template set Warning: unaligning (T0532)G83 (2bw3A)P316 because P (beta_P) conformation "forbidden" or filtered. T0532 79 :YNVF 2bw3A 312 :KSEC T0532 84 :RSGF 2bw3A 317 :TRWN Number of specific fragments extracted= 2 number of extra gaps= 1 total=24399 # 2akaA.79.320 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)N80 (2akaA)G311 because T (delta_L) conformation "forbidden" or filtered. T0532 79 :Y 2akaA 310 :S T0532 81 :VFGRSGF 2akaA 312 :CVDIKGV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24401 1yzyA expands to /projects/compbio/data/pdb/1yzy.pdb.gz 1yzyA:# 1yzyA.79.47 read from T0532.t2k.many.frag # adding 1yzyA to template set # found chain 1yzyA in template set T0532 79 :YNVFGRSGF 1yzyA 47 :LKSRSNPVN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24402 # 1vf7A.79.75 read from T0532.t2k.many.frag # found chain 1vf7A in template set T0532 79 :YNVFGRSGF 1vf7A 73 :PATYEADYQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24403 # 2al2A.79.210 read from T0532.t2k.many.frag # found chain 2al2A in template set Warning: unaligning (T0532)Y79 (2al2A)E211 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)N80 (2al2A)G212 because T (delta_L) conformation "forbidden" or filtered. T0532 81 :VFGRSGF 2al2A 213 :GVAPNIQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=24404 2fefA expands to /projects/compbio/data/pdb/2fef.pdb.gz 2fefA:Skipped atom 367, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 371, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 373, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 375, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 377, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 379, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 381, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 383, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 505, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 509, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 511, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 513, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 515, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 517, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 519, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 882, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 886, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 888, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 1065, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 1069, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 1071, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 1073, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 1075, because occupancy 0.500 <= existing 0.500 in 2fefA Skipped atom 1077, because occupancy 0.500 <= existing 0.500 in 2fefA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2fefA.79.30 read from T0532.t2k.many.frag # adding 2fefA to template set # found chain 2fefA in template set T0532 79 :YNVFGRSGF 2fefA 31 :RNIDLADWK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24405 # 2bfdB.79.316 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)G83 (2bfdB)P318 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G86 (2bfdB)F321 because G (3-10) conformation "forbidden" or filtered. T0532 79 :YNVF 2bfdB 314 :DTPF T0532 84 :RS 2bfdB 319 :HI T0532 87 :F 2bfdB 322 :E Number of specific fragments extracted= 3 number of extra gaps= 2 total=24408 # 1f1mA.80.53 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)G88 (1f1mA)G99 because H (helix) conformation "forbidden" or filtered. T0532 80 :NVFGRSGF 1f1mA 91 :DHNGSLMS Number of specific fragments extracted= 1 number of extra gaps= 1 total=24409 # 1vqrA.80.115 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 80 :NVFGRSGFG 1vqrA 104 :SPYGLNTQN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24410 # 1t0qB.80.79 read from T0532.t2k.many.frag # found chain 1t0qB in template set Warning: unaligning (T0532)N80 (1t0qB)Q80 because L (left) conformation "forbidden" or filtered. T0532 81 :VFGRSGFG 1t0qB 81 :LVYRTYNL Number of specific fragments extracted= 1 number of extra gaps= 1 total=24411 # 1jf8A.80.104 read from T0532.t2k.many.frag # found chain 1jf8A in training set Warning: unaligning (T0532)N80 (1jf8A)D105 because P (beta_P) conformation "forbidden" or filtered. T0532 81 :VFGRSGFG 1jf8A 106 :PAGKEWSE Number of specific fragments extracted= 1 number of extra gaps= 1 total=24412 # 2basA.80.149 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 80 :NVFGRSGFG 2basA 126 :HNFEGDIEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24413 # 1mtyB.80.137 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 80 :NVFGRSGFG 1mtyB 143 :EFINRYWGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24414 # 1o7qA.80.202 read from T0532.t2k.many.frag # found chain 1o7qA in training set Warning: unaligning (T0532)R84 (1o7qA)G286 because Y (epsilon') conformation "forbidden" or filtered. T0532 80 :NVFG 1o7qA 282 :AIFG T0532 85 :SGFG 1o7qA 287 :TPTQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=24416 # 1s12A.80.56 read from T0532.t2k.many.frag # found chain 1s12A in template set Warning: unaligning (T0532)V81 (1s12A)E58 because L (left) conformation "forbidden" or filtered. T0532 80 :N 1s12A 57 :E T0532 82 :FGRSGFG 1s12A 59 :LENCEVK Number of specific fragments extracted= 2 number of extra gaps= 1 total=24418 # 1s28A.80.58 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)N80 (1s28A)G59 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1s28A)D62 because P (beta_P) conformation "forbidden" or filtered. T0532 81 :VF 1s28A 60 :VI T0532 84 :RSGFG 1s28A 63 :NLDSN Number of specific fragments extracted= 2 number of extra gaps= 2 total=24420 # 1mc2A.80.75 read from T0532.t2k.many.frag # found chain 1mc2A in training set T0532 80 :NVFGRSGFG 1mc2A 1086 :GKNQPCMQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24421 # 1c4oA.80.109 read from T0532.t2k.many.frag # found chain 1c4oA in template set T0532 80 :NVFGRSGFG 1c4oA 111 :SINPEIERL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24422 # 1o7qA.80.110 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 80 :NVFGRSGFG 1o7qA 190 :KPEKRWQDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24423 # 1zymA.80.33 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 80 :NVFGRSGFG 1zymA 34 :DQVDQEVER Number of specific fragments extracted= 1 number of extra gaps= 0 total=24424 # 1odzA.80.133 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)N80 (1odzA)S171 because G (3-10) conformation "forbidden" or filtered. T0532 81 :VFGRSGFG 1odzA 172 :LPGGAYNP Number of specific fragments extracted= 1 number of extra gaps= 1 total=24425 # 1mgtA.80.86 read from T0532.t2k.many.frag # found chain 1mgtA in training set Warning: unaligning (T0532)N80 (1mgtA)E87 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 (1mgtA)G88 because T (delta_L) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1mgtA)T90 because P (beta_P) conformation "forbidden" or filtered. T0532 82 :F 1mgtA 89 :V T0532 84 :RSGFG 1mgtA 91 :PFEKK Number of specific fragments extracted= 2 number of extra gaps= 2 total=24427 # 1i24A.80.186 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)G83 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 80 :NVF 1i24A 177 :QAS T0532 84 :RSGFG 1i24A 181 :FYHLS Number of specific fragments extracted= 2 number of extra gaps= 1 total=24429 # 1reqB.80.398 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)N80 (1reqB)G400 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 83 :GRSGFG 1reqB 403 :YYVESL Number of specific fragments extracted= 1 number of extra gaps= 1 total=24430 # 1t2dA.80.291 read from T0532.t2k.many.frag # found chain 1t2dA in training set Warning: unaligning (T0532)N80 (1t2dA)L291 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1t2dA)N294 because P (beta_P) conformation "forbidden" or filtered. T0532 81 :VF 1t2dA 292 :QL T0532 84 :RSGFG 1t2dA 295 :SEEKA Number of specific fragments extracted= 2 number of extra gaps= 2 total=24432 # 1i24A.80.185 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)R84 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 80 :NVFG 1i24A 176 :KQAS T0532 85 :SGFG 1i24A 181 :FYHL Number of specific fragments extracted= 2 number of extra gaps= 1 total=24434 # 2bw3A.80.237 read from T0532.t2k.many.frag # found chain 2bw3A in template set Warning: unaligning (T0532)G83 (2bw3A)P316 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G86 (2bw3A)W319 because G (3-10) conformation "forbidden" or filtered. T0532 80 :NVF 2bw3A 313 :SEC T0532 84 :RS 2bw3A 317 :TR T0532 87 :FG 2bw3A 320 :NS Number of specific fragments extracted= 3 number of extra gaps= 2 total=24437 # 1yzyA.80.48 read from T0532.t2k.many.frag # found chain 1yzyA in template set Warning: unaligning (T0532)V81 (1yzyA)S49 because G (3-10) conformation "forbidden" or filtered. T0532 80 :N 1yzyA 48 :K T0532 82 :FGRSGFG 1yzyA 50 :RSNPVNE Number of specific fragments extracted= 2 number of extra gaps= 1 total=24439 2f22A expands to /projects/compbio/data/pdb/2f22.pdb.gz 2f22A:Skipped atom 2, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 4, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 6, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 8, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 11, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 15, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 17, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 19, because occupancy 0.350 <= existing 0.400 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 21, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 98, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 102, because occupancy 0.330 <= existing 0.340 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 107, because occupancy 0.330 <= existing 0.340 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 110, because occupancy 0.330 <= existing 0.340 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 112, because occupancy 0.250 <= existing 0.250 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 113, because occupancy 0.250 <= existing 0.250 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 116, because occupancy 0.330 <= existing 0.340 in 2f22A Skipped atom 161, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 165, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 167, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 169, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 171, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 173, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 176, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 180, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 182, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 184, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 186, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 211, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 219, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 221, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 223, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 483, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 487, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 489, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 491, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 493, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 495, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 634, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 638, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 640, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 642, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 644, because occupancy 0.400 <= existing 0.600 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 864, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 866, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 868, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 870, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 881, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 885, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 887, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 889, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 891, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1083, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1087, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1089, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1091, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1105, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1109, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1111, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1149, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1153, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1155, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1157, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1159, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1161, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1164, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1168, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1170, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1172, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1174, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1176, because occupancy 0.500 <= existing 0.500 in 2f22A # 2f22A.80.31 read from T0532.t2k.many.frag # adding 2f22A to template set # found chain 2f22A in template set T0532 80 :NVFGRSGFG 2f22A 31 :PELGTLRKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24440 # 1h1nA.80.132 read from T0532.t2k.many.frag # found chain 1h1nA in training set T0532 80 :NVFGRSGFG 1h1nA 133 :EYHDMDQTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24441 # 1zk4A.80.62 read from T0532.t2k.many.frag # found chain 1zk4A in template set T0532 80 :NVFGRSGFG 1zk4A 63 :SSDEDGWTK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24442 1k47A expands to /projects/compbio/data/pdb/1k47.pdb.gz 1k47A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M WARNING: atom 19 has residue number 1 < previous residue 1002 in 1k47A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1k47A.80.224 read from T0532.t2k.many.frag # adding 1k47A to template set # found chain 1k47A in template set T0532 80 :NVFGRSGFG 1k47A 223 :NINQNFLTS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24443 # 1yvrA.80.215 read from T0532.t2k.many.frag # found chain 1yvrA in template set T0532 80 :NVFGRSGFG 1yvrA 216 :KELSPETEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24444 1ttwA expands to /projects/compbio/data/pdb/1ttw.pdb.gz 1ttwA:# 1ttwA.80.95 read from T0532.t2k.many.frag # adding 1ttwA to template set # found chain 1ttwA in template set Warning: unaligning (T0532)G83 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1ttwA)T100 Warning: unaligning (T0532)R84 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1ttwA)T100 T0532 80 :NVF 1ttwA 96 :NIN T0532 85 :SGFG 1ttwA 101 :SGTQ Number of specific fragments extracted= 2 number of extra gaps= 1 total=24446 # 2bfdB.80.317 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)G83 (2bfdB)P318 because P (beta_P) conformation "forbidden" or filtered. T0532 80 :NVF 2bfdB 315 :TPF T0532 84 :RSGFG 2bfdB 319 :HIFEP Number of specific fragments extracted= 2 number of extra gaps= 1 total=24448 1bouB expands to /projects/compbio/data/pdb/1bou.pdb.gz 1bouB:# 1bouB.80.23 read from T0532.t2k.many.frag # adding 1bouB to template set # found chain 1bouB in template set T0532 80 :NVFGRSGFG 1bouB 24 :TSDNDYWGP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24449 # 1c4oA.80.108 read from T0532.t2k.many.frag # found chain 1c4oA in template set Warning: unaligning (T0532)V81 (1c4oA)S111 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1c4oA)N113 because P (beta_P) conformation "forbidden" or filtered. T0532 80 :N 1c4oA 110 :A T0532 82 :F 1c4oA 112 :I T0532 84 :RSGFG 1c4oA 114 :PEIER Number of specific fragments extracted= 3 number of extra gaps= 2 total=24452 # 1f1mA.81.54 read from T0532.t2k.many.frag # found chain 1f1mA in training set Warning: unaligning (T0532)G88 (1f1mA)G99 because H (helix) conformation "forbidden" or filtered. T0532 81 :VFGRSGF 1f1mA 92 :HNGSLMS T0532 89 :G 1f1mA 100 :A Number of specific fragments extracted= 2 number of extra gaps= 1 total=24454 # 1jf8A.81.105 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 81 :VFGRSGFGG 1jf8A 106 :PAGKEWSEF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24455 # 1vqrA.81.116 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 81 :VFGRSGFGG 1vqrA 105 :PYGLNTQNF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24456 # 2basA.81.150 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 81 :VFGRSGFGG 2basA 127 :NFEGDIEQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24457 # 1o7qA.81.203 read from T0532.t2k.many.frag # found chain 1o7qA in training set Warning: unaligning (T0532)R84 (1o7qA)G286 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (1o7qA)T287 because P (beta_P) conformation "forbidden" or filtered. T0532 81 :VFG 1o7qA 283 :IFG T0532 86 :GFGG 1o7qA 288 :PTQV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24459 # 1t0qB.81.80 read from T0532.t2k.many.frag # found chain 1t0qB in template set T0532 81 :VFGRSGFGG 1t0qB 81 :LVYRTYNLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24460 # 1mtyB.81.138 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 81 :VFGRSGFGG 1mtyB 144 :FINRYWGAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24461 # 1mc2A.81.76 read from T0532.t2k.many.frag # found chain 1mc2A in training set Warning: unaligning (T0532)G83 (1mc2A)Q1089 because P (beta_P) conformation "forbidden" or filtered. T0532 81 :VF 1mc2A 1087 :KN T0532 84 :RSGFGG 1mc2A 1090 :PCMQEM Number of specific fragments extracted= 2 number of extra gaps= 1 total=24463 # 1s12A.81.57 read from T0532.t2k.many.frag # found chain 1s12A in template set Warning: unaligning (T0532)V81 (1s12A)E58 because L (left) conformation "forbidden" or filtered. T0532 82 :FGRSGFGG 1s12A 59 :LENCEVKV Number of specific fragments extracted= 1 number of extra gaps= 1 total=24464 # 1odzA.81.134 read from T0532.t2k.many.frag # found chain 1odzA in training set Warning: unaligning (T0532)G86 (1odzA)Y177 because G (3-10) conformation "forbidden" or filtered. T0532 81 :VFGRS 1odzA 172 :LPGGA T0532 87 :FGG 1odzA 178 :NPV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24466 # 1bouB.81.24 read from T0532.t2k.many.frag # found chain 1bouB in template set Warning: unaligning (T0532)F82 (1bouB)D26 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)G83 (1bouB)N27 because P (beta_P) conformation "forbidden" or filtered. T0532 81 :V 1bouB 25 :S T0532 84 :RSGFGG 1bouB 28 :DYWGPV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24468 # 1o7qA.81.111 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 81 :VFGRSGFGG 1o7qA 191 :PEKRWQDIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24469 # 2bw3A.81.238 read from T0532.t2k.many.frag # found chain 2bw3A in template set Warning: unaligning (T0532)F87 (2bw3A)N320 because G (3-10) conformation "forbidden" or filtered. T0532 81 :VFGRSG 2bw3A 314 :ECPTRW T0532 88 :GG 2bw3A 321 :ST Number of specific fragments extracted= 2 number of extra gaps= 1 total=24471 # 1yzyA.81.49 read from T0532.t2k.many.frag # found chain 1yzyA in template set Warning: unaligning (T0532)V81 (1yzyA)S49 because G (3-10) conformation "forbidden" or filtered. T0532 82 :FGRSGFGG 1yzyA 50 :RSNPVNEA Number of specific fragments extracted= 1 number of extra gaps= 1 total=24472 # 1s28A.81.59 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)G83 (1s28A)D62 because P (beta_P) conformation "forbidden" or filtered. T0532 81 :VF 1s28A 60 :VI T0532 84 :RSGFGG 1s28A 63 :NLDSNA Number of specific fragments extracted= 2 number of extra gaps= 1 total=24474 # 1zymA.81.34 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 81 :VFGRSGFGG 1zymA 35 :QVDQEVERF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24475 # 1h99A.81.67 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 81 :VFGRSGFGG 1h99A 121 :ETKRLYKDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24476 # 2a2cA.81.346 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 81 :VFGRSGFGG 2a2cA 327 :KLYQRAKHV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24477 # 2f22A.81.32 read from T0532.t2k.many.frag # found chain 2f22A in template set T0532 81 :VFGRSGFGG 2f22A 32 :ELGTLRKLF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24478 # 1i24A.81.186 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 81 :VFGRSGFGG 1i24A 177 :QASSFYHLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24479 # 1i24A.81.187 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 81 :VFGRSGFGG 1i24A 178 :ASSFYHLSK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24480 # 4eugA.81.135 read from T0532.t2k.many.frag # found chain 4eugA in training set Warning: unaligning (T0532)V81 (4eugA)H136 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (4eugA)G140 because T (delta_L) conformation "forbidden" or filtered. T0532 82 :FGR 4eugA 137 :ASL T0532 86 :GFGG 4eugA 141 :WETF Number of specific fragments extracted= 2 number of extra gaps= 2 total=24482 # 1t2dA.81.292 read from T0532.t2k.many.frag # found chain 1t2dA in training set T0532 81 :VFGRSGFGG 1t2dA 292 :QLNSEEKAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24483 # 1k47A.81.225 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 81 :VFGRSGFGG 1k47A 224 :INQNFLTSS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24484 # 1mgtA.81.87 read from T0532.t2k.many.frag # found chain 1mgtA in training set T0532 81 :VFGRSGFGG 1mgtA 88 :GVTPFEKKV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24485 # 1c4oA.81.110 read from T0532.t2k.many.frag # found chain 1c4oA in template set T0532 81 :VFGRSGFGG 1c4oA 112 :INPEIERLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24486 # 2bfdB.81.318 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)G83 (2bfdB)P318 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G86 (2bfdB)F321 because G (3-10) conformation "forbidden" or filtered. T0532 81 :VF 2bfdB 316 :PF T0532 84 :RS 2bfdB 319 :HI T0532 87 :FGG 2bfdB 322 :EPF Number of specific fragments extracted= 3 number of extra gaps= 2 total=24489 1ykdA expands to /projects/compbio/data/pdb/1ykd.pdb.gz 1ykdA:Skipped atom 2457, because occupancy 0.500 <= existing 0.500 in 1ykdA Skipped atom 2459, because occupancy 0.500 <= existing 0.500 in 1ykdA # 1ykdA.81.161 read from T0532.t2k.many.frag # adding 1ykdA to template set # found chain 1ykdA in template set Warning: unaligning (T0532)V81 (1ykdA)G219 because S (epsilon) conformation "forbidden" or filtered. T0532 82 :FGRSGFGG 1ykdA 220 :FTSADEQL Number of specific fragments extracted= 1 number of extra gaps= 1 total=24490 # 1reqB.81.399 read from T0532.t2k.many.frag # found chain 1reqB in template set Warning: unaligning (T0532)V81 because of BadResidue code BAD_PEPTIDE in next template residue (1reqB)S402 Warning: unaligning (T0532)F82 because of BadResidue code BAD_PEPTIDE at template residue (1reqB)S402 T0532 83 :GRSGFGG 1reqB 403 :YYVESLT Number of specific fragments extracted= 1 number of extra gaps= 1 total=24491 1ua4A expands to /projects/compbio/data/pdb/1ua4.pdb.gz 1ua4A:# 1ua4A.81.236 read from T0532.t2k.many.frag # adding 1ua4A to template set # found chain 1ua4A in template set T0532 81 :VFGRSGFGG 1ua4A 237 :LTKENYKEP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24492 # 1f1mA.82.55 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 82 :FGRSGFGGY 1f1mA 93 :NGSLMSGAY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24493 # 1jf8A.82.106 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 82 :FGRSGFGGY 1jf8A 107 :AGKEWSEFQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24494 # 1vqrA.82.117 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 82 :FGRSGFGGY 1vqrA 106 :YGLNTQNFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24495 # 2basA.82.151 read from T0532.t2k.many.frag # found chain 2basA in template set Warning: unaligning (T0532)S85 (2basA)D131 because P (beta_P) conformation "forbidden" or filtered. T0532 82 :FGR 2basA 128 :FEG T0532 86 :GFGGY 2basA 132 :IEQLY Number of specific fragments extracted= 2 number of extra gaps= 1 total=24497 # 1bouB.82.25 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 82 :FGRSGFGGY 1bouB 26 :DNDYWGPVF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24498 # 1o7qA.82.204 read from T0532.t2k.many.frag # found chain 1o7qA in training set Warning: unaligning (T0532)R84 (1o7qA)G286 because Y (epsilon') conformation "forbidden" or filtered. T0532 82 :FG 1o7qA 284 :FG T0532 85 :SGFGGY 1o7qA 287 :TPTQVL Number of specific fragments extracted= 2 number of extra gaps= 1 total=24500 # 1mtyB.82.139 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 82 :FGRSGFGGY 1mtyB 145 :INRYWGAFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24501 # 1t0qB.82.81 read from T0532.t2k.many.frag # found chain 1t0qB in template set T0532 82 :FGRSGFGGY 1t0qB 82 :VYRTYNLLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24502 # 1odzA.82.135 read from T0532.t2k.many.frag # found chain 1odzA in training set T0532 82 :FGRSGFGGY 1odzA 173 :PGGAYNPVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24503 # 1mc2A.82.77 read from T0532.t2k.many.frag # found chain 1mc2A in training set T0532 82 :FGRSGFGGY 1mc2A 1088 :NQPCMQEMC Number of specific fragments extracted= 1 number of extra gaps= 0 total=24504 # 1o7qA.82.112 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 82 :FGRSGFGGY 1o7qA 192 :EKRWQDISM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24505 # 1h99A.82.68 read from T0532.t2k.many.frag # found chain 1h99A in training set Warning: unaligning (T0532)G86 (1h99A)Y126 because D (zeta) conformation "forbidden" or filtered. T0532 82 :FGRS 1h99A 122 :TKRL T0532 87 :FGGY 1h99A 127 :KDEF Number of specific fragments extracted= 2 number of extra gaps= 1 total=24507 # 2a2cA.82.347 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 82 :FGRSGFGGY 2a2cA 328 :LYQRAKHVY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24508 # 1s12A.82.58 read from T0532.t2k.many.frag # found chain 1s12A in template set Warning: unaligning (T0532)G83 (1s12A)E60 because E (beta_S) conformation "forbidden" or filtered. T0532 82 :F 1s12A 59 :L T0532 84 :RSGFGGY 1s12A 61 :NCEVKVL Number of specific fragments extracted= 2 number of extra gaps= 1 total=24510 # 1yzyA.82.50 read from T0532.t2k.many.frag # found chain 1yzyA in template set Warning: unaligning (T0532)G83 (1yzyA)S51 because G (3-10) conformation "forbidden" or filtered. T0532 82 :F 1yzyA 50 :R T0532 84 :RSGFGGY 1yzyA 52 :NPVNEAI Number of specific fragments extracted= 2 number of extra gaps= 1 total=24512 # 1ua4A.82.237 read from T0532.t2k.many.frag # found chain 1ua4A in template set Warning: unaligning (T0532)S85 (1ua4A)N241 because G (3-10) conformation "forbidden" or filtered. T0532 82 :FGR 1ua4A 238 :TKE T0532 86 :GFGGY 1ua4A 242 :YKEPF Number of specific fragments extracted= 2 number of extra gaps= 1 total=24514 # 1zymA.82.35 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 82 :FGRSGFGGY 1zymA 36 :VDQEVERFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24515 # 1k47A.82.226 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 82 :FGRSGFGGY 1k47A 225 :NQNFLTSSK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24516 # 4eugA.82.136 read from T0532.t2k.many.frag # found chain 4eugA in training set Warning: unaligning (T0532)G83 (4eugA)S138 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (4eugA)G140 because T (delta_L) conformation "forbidden" or filtered. T0532 82 :F 4eugA 137 :A T0532 84 :R 4eugA 139 :L T0532 86 :GFGGY 4eugA 141 :WETFT Number of specific fragments extracted= 3 number of extra gaps= 2 total=24519 # 2f22A.82.33 read from T0532.t2k.many.frag # found chain 2f22A in template set T0532 82 :FGRSGFGGY 2f22A 33 :LGTLRKLFI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24520 # 1vqoP.82.87 read from T0532.t2k.many.frag # found chain 1vqoP in template set T0532 82 :FGRSGFGGY 1vqoP 87 :RQNSKEDWE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24521 # 2bw3A.82.239 read from T0532.t2k.many.frag # found chain 2bw3A in template set Warning: unaligning (T0532)G83 (2bw3A)P316 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G86 (2bw3A)W319 because G (3-10) conformation "forbidden" or filtered. T0532 82 :F 2bw3A 315 :C T0532 84 :RS 2bw3A 317 :TR T0532 87 :FGGY 2bw3A 320 :NSTY Number of specific fragments extracted= 3 number of extra gaps= 2 total=24524 # 1ykdA.82.162 read from T0532.t2k.many.frag # found chain 1ykdA in template set T0532 82 :FGRSGFGGY 1ykdA 220 :FTSADEQLF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24525 # 1ttwA.82.97 read from T0532.t2k.many.frag # found chain 1ttwA in template set Warning: unaligning (T0532)G83 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1ttwA)T100 Warning: unaligning (T0532)R84 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1ttwA)T100 T0532 82 :F 1ttwA 98 :N T0532 85 :SGFGGY 1ttwA 101 :SGTQLA Number of specific fragments extracted= 2 number of extra gaps= 1 total=24527 2b1eA expands to /projects/compbio/data/pdb/2b1e.pdb.gz 2b1eA:# 2b1eA.82.179 read from T0532.t2k.many.frag # adding 2b1eA to template set # found chain 2b1eA in template set T0532 82 :FGRSGFGGY 2b1eA 239 :MNSYTEALL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24528 # 1t2dA.82.293 read from T0532.t2k.many.frag # found chain 1t2dA in training set Warning: unaligning (T0532)G83 (1t2dA)N294 because P (beta_P) conformation "forbidden" or filtered. T0532 82 :F 1t2dA 293 :L T0532 84 :RSGFGGY 1t2dA 295 :SEEKAKF Number of specific fragments extracted= 2 number of extra gaps= 1 total=24530 2a5yB expands to /projects/compbio/data/pdb/2a5y.pdb.gz 2a5yB:# 2a5yB.82.192 read from T0532.t2k.many.frag # adding 2a5yB to template set # found chain 2a5yB in template set T0532 82 :FGRSGFGGY 2a5yB 193 :SGTAPKSTF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24531 # 1i24A.82.188 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)G83 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 82 :F 1i24A 179 :S T0532 84 :RSGFGGY 1i24A 181 :FYHLSKV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24533 # 2bfdB.82.319 read from T0532.t2k.many.frag # found chain 2bfdB in template set Warning: unaligning (T0532)G83 (2bfdB)P318 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G89 (2bfdB)F324 because G (3-10) conformation "forbidden" or filtered. T0532 82 :F 2bfdB 317 :F T0532 84 :RSGFG 2bfdB 319 :HIFEP T0532 90 :Y 2bfdB 325 :Y Number of specific fragments extracted= 3 number of extra gaps= 2 total=24536 # 1s28A.82.60 read from T0532.t2k.many.frag # found chain 1s28A in template set Warning: unaligning (T0532)R84 (1s28A)N63 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (1s28A)L64 because T (delta_L) conformation "forbidden" or filtered. T0532 82 :FG 1s28A 61 :ID T0532 86 :GFGGY 1s28A 65 :DSNAC Number of specific fragments extracted= 2 number of extra gaps= 1 total=24538 # 1f1mA.83.56 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 83 :GRSGFGGYT 1f1mA 94 :GSLMSGAYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24539 # 1jf8A.83.107 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 83 :GRSGFGGYT 1jf8A 108 :GKEWSEFQR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24540 # 1vqrA.83.118 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 83 :GRSGFGGYT 1vqrA 107 :GLNTQNFLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24541 # 2basA.83.152 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 83 :GRSGFGGYT 2basA 129 :EGDIEQLYH Number of specific fragments extracted= 1 number of extra gaps= 0 total=24542 # 1bouB.83.26 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 83 :GRSGFGGYT 1bouB 27 :NDYWGPVFK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24543 # 2a2cA.83.348 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 83 :GRSGFGGYT 2a2cA 329 :YQRAKHVYS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24544 # 1h99A.83.69 read from T0532.t2k.many.frag # found chain 1h99A in training set Warning: unaligning (T0532)G86 (1h99A)Y126 because D (zeta) conformation "forbidden" or filtered. T0532 83 :GRS 1h99A 123 :KRL T0532 87 :FGGYT 1h99A 127 :KDEFA Number of specific fragments extracted= 2 number of extra gaps= 1 total=24546 # 1o7qA.83.205 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 83 :GRSGFGGYT 1o7qA 285 :GGTPTQVLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24547 1yrbA expands to /projects/compbio/data/pdb/1yrb.pdb.gz 1yrbA:WARNING: atom 113 has residue number 1 < previous residue 500 in 1yrbA Skipped atom 589, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 591, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 593, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 595, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 597, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 599, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 736, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 738, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 740, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 742, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1076, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1078, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1080, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1082, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1274, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1276, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1286, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1288, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1290, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1292, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1294, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1296, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1298, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1698, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1700, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1702, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1704, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1706, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1708, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1802, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1804, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1806, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1808, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1810, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1812, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1814, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1816, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1829, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1831, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1837, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1839, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1841, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1843, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1845, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1847, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1849, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 1928, because occupancy 0.300 <= existing 0.700 in 1yrbA Skipped atom 1930, because occupancy 0.300 <= existing 0.700 in 1yrbA Skipped atom 1932, because occupancy 0.300 <= existing 0.700 in 1yrbA Skipped atom 1934, because occupancy 0.300 <= existing 0.700 in 1yrbA Skipped atom 1936, because occupancy 0.300 <= existing 0.700 in 1yrbA Skipped atom 1938, because occupancy 0.300 <= existing 0.700 in 1yrbA Skipped atom 1940, because occupancy 0.300 <= existing 0.700 in 1yrbA Skipped atom 2052, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 2054, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 2056, because occupancy 0.500 <= existing 0.500 in 1yrbA Skipped atom 2058, because occupancy 0.500 <= existing 0.500 in 1yrbA # 1yrbA.83.149 read from T0532.t2k.many.frag # adding 1yrbA to template set # found chain 1yrbA in template set Warning: unaligning (T0532)G83 (1yrbA)L136 because N (gamma') conformation "forbidden" or filtered. T0532 84 :RSGFGGYT 1yrbA 137 :KKPNDYCF Number of specific fragments extracted= 1 number of extra gaps= 1 total=24548 # 1o7qA.83.113 read from T0532.t2k.many.frag # found chain 1o7qA in training set Warning: unaligning (T0532)R84 (1o7qA)R194 because P (beta_P) conformation "forbidden" or filtered. T0532 83 :G 1o7qA 193 :K T0532 85 :SGFGGYT 1o7qA 195 :WQDISMM Number of specific fragments extracted= 2 number of extra gaps= 1 total=24550 # 1jyaA.83.96 read from T0532.t2k.many.frag # found chain 1jyaA in training set Warning: unaligning (T0532)F87 (1jyaA)N101 because G (3-10) conformation "forbidden" or filtered. T0532 83 :GRSG 1jyaA 97 :SLDN T0532 88 :GGYT 1jyaA 102 :SLYT Number of specific fragments extracted= 2 number of extra gaps= 1 total=24552 # 1ua4A.83.238 read from T0532.t2k.many.frag # found chain 1ua4A in template set T0532 83 :GRSGFGGYT 1ua4A 239 :KENYKEPFE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24553 # 1vqoP.83.88 read from T0532.t2k.many.frag # found chain 1vqoP in template set T0532 83 :GRSGFGGYT 1vqoP 88 :QNSKEDWES Number of specific fragments extracted= 1 number of extra gaps= 0 total=24554 # 1mtyB.83.140 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 83 :GRSGFGGYT 1mtyB 146 :NRYWGAFLF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24555 # 1k47A.83.227 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 83 :GRSGFGGYT 1k47A 226 :QNFLTSSKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24556 # 2a5yB.83.193 read from T0532.t2k.many.frag # found chain 2a5yB in template set T0532 83 :GRSGFGGYT 2a5yB 194 :GTAPKSTFD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24557 # 1yzyA.83.51 read from T0532.t2k.many.frag # found chain 1yzyA in template set Warning: unaligning (T0532)G83 (1yzyA)S51 because G (3-10) conformation "forbidden" or filtered. T0532 84 :RSGFGGYT 1yzyA 52 :NPVNEAIE Number of specific fragments extracted= 1 number of extra gaps= 1 total=24558 # 1zymA.83.36 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 83 :GRSGFGGYT 1zymA 37 :DQEVERFLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24559 2d2mC expands to /projects/compbio/data/pdb/2d2m.pdb.gz 2d2mC:# 2d2mC.83.60 read from T0532.t2k.many.frag # adding 2d2mC to template set # found chain 2d2mC in template set T0532 83 :GRSGFGGYT 2d2mC 61 :ADFRAHCVR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24560 # 1mc2A.83.78 read from T0532.t2k.many.frag # found chain 1mc2A in training set T0532 83 :GRSGFGGYT 1mc2A 1089 :QPCMQEMCE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24561 # 2b1eA.83.180 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 83 :GRSGFGGYT 2b1eA 240 :NSYTEALLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24562 # 1odzA.83.136 read from T0532.t2k.many.frag # found chain 1odzA in training set T0532 83 :GRSGFGGYT 1odzA 174 :GGAYNPVLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24563 1b5l expands to /projects/compbio/data/pdb/1b5l.pdb.gz 1b5l:Warning: there is no chain 1b5l will retry with 1b5lA # 1b5l.83.78 read from T0532.t2k.many.frag # adding 1b5l to template set # found chain 1b5l in template set Warning: unaligning (T0532)G83 (1b5l)T79 because N (gamma') conformation "forbidden" or filtered. T0532 84 :RSGFGGYT 1b5l 80 :TLLEQLCT Number of specific fragments extracted= 1 number of extra gaps= 1 total=24564 # 1rkxA.83.154 read from T0532.t2k.many.frag # found chain 1rkxA in template set T0532 83 :GRSGFGGYT 1rkxA 155 :DPYSNSKGC Number of specific fragments extracted= 1 number of extra gaps= 0 total=24565 # 1i24A.83.189 read from T0532.t2k.many.frag # found chain 1i24A in template set Warning: unaligning (T0532)G83 (1i24A)S180 because Y (epsilon') conformation "forbidden" or filtered. T0532 84 :RSGFGGYT 1i24A 181 :FYHLSKVH Number of specific fragments extracted= 1 number of extra gaps= 1 total=24566 # 1ttwA.83.98 read from T0532.t2k.many.frag # found chain 1ttwA in template set Warning: unaligning (T0532)G83 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR in next template residue (1ttwA)T100 Warning: unaligning (T0532)R84 because of BadResidue code BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1ttwA)T100 Warning: unaligning (T0532)T91 because of BadResidue code BAD_PEPTIDE in next template residue (1ttwA)V108 T0532 85 :SGFGGY 1ttwA 101 :SGTQLA Number of specific fragments extracted= 1 number of extra gaps= 2 total=24567 # 1r5yA.83.168 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 83 :GRSGFGGYT 1r5yA 169 :ASSMERSMR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24568 # 1h1nA.83.135 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)R84 (1h1nA)M137 because Y (epsilon') conformation "forbidden" or filtered. T0532 83 :G 1h1nA 136 :D T0532 85 :SGFGGYT 1h1nA 138 :DQTLVLN Number of specific fragments extracted= 2 number of extra gaps= 1 total=24570 # 1t0qB.83.82 read from T0532.t2k.many.frag # found chain 1t0qB in template set T0532 83 :GRSGFGGYT 1t0qB 83 :YRTYNLLQD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24571 # 2bw3A.83.240 read from T0532.t2k.many.frag # found chain 2bw3A in template set Warning: unaligning (T0532)G86 (2bw3A)W319 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)F87 (2bw3A)N320 because G (3-10) conformation "forbidden" or filtered. T0532 83 :GRS 2bw3A 316 :PTR T0532 88 :GGYT 2bw3A 321 :STYT Number of specific fragments extracted= 2 number of extra gaps= 1 total=24573 # 1f1mA.84.57 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 84 :RSGFGGYTT 1f1mA 95 :SLMSGAYLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24574 # 1vqrA.84.119 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 84 :RSGFGGYTT 1vqrA 108 :LNTQNFLKT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24575 # 1jf8A.84.108 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 84 :RSGFGGYTT 1jf8A 109 :KEWSEFQRV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24576 # 1bouB.84.27 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 84 :RSGFGGYTT 1bouB 28 :DYWGPVFKG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24577 # 1h99A.84.70 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 84 :RSGFGGYTT 1h99A 124 :RLYKDEFAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24578 # 2basA.84.153 read from T0532.t2k.many.frag # found chain 2basA in template set Warning: unaligning (T0532)S85 (2basA)D131 because P (beta_P) conformation "forbidden" or filtered. T0532 84 :R 2basA 130 :G T0532 86 :GFGGYTT 2basA 132 :IEQLYHM Number of specific fragments extracted= 2 number of extra gaps= 1 total=24580 # 2a2cA.84.349 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 84 :RSGFGGYTT 2a2cA 330 :QRAKHVYSE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24581 # 1jyaA.84.97 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 84 :RSGFGGYTT 1jyaA 98 :LDNNSLYTQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24582 # 1o7qA.84.206 read from T0532.t2k.many.frag # found chain 1o7qA in training set Warning: unaligning (T0532)R84 (1o7qA)G286 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)S85 (1o7qA)T287 because P (beta_P) conformation "forbidden" or filtered. T0532 86 :GFGGYTT 1o7qA 288 :PTQVLNI Number of specific fragments extracted= 1 number of extra gaps= 1 total=24583 # 1k47A.84.228 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 84 :RSGFGGYTT 1k47A 227 :NFLTSSKET Number of specific fragments extracted= 1 number of extra gaps= 0 total=24584 # 1yrbA.84.150 read from T0532.t2k.many.frag # found chain 1yrbA in template set Warning: unaligning (T0532)S85 (1yrbA)K138 because Y (epsilon') conformation "forbidden" or filtered. T0532 84 :R 1yrbA 137 :K T0532 86 :GFGGYTT 1yrbA 139 :PNDYCFV Number of specific fragments extracted= 2 number of extra gaps= 1 total=24586 # 2a5yB.84.194 read from T0532.t2k.many.frag # found chain 2a5yB in template set T0532 84 :RSGFGGYTT 2a5yB 195 :TAPKSTFDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24587 # 2b1eA.84.181 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 84 :RSGFGGYTT 2b1eA 241 :SYTEALLGF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24588 # 1ua4A.84.239 read from T0532.t2k.many.frag # found chain 1ua4A in template set T0532 84 :RSGFGGYTT 1ua4A 240 :ENYKEPFEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24589 # 2d2mC.84.61 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 84 :RSGFGGYTT 2d2mC 62 :DFRAHCVRV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24590 # 1vqoP.84.89 read from T0532.t2k.many.frag # found chain 1vqoP in template set Warning: unaligning (T0532)R84 (1vqoP)N89 because P (beta_P) conformation "forbidden" or filtered. T0532 85 :SGFGGYTT 1vqoP 90 :SKEDWESR Number of specific fragments extracted= 1 number of extra gaps= 1 total=24591 # 1zymA.84.37 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 84 :RSGFGGYTT 1zymA 38 :QEVERFLSG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24592 # 1o7qA.84.114 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 84 :RSGFGGYTT 1o7qA 194 :RWQDISMMR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24593 # 1b5l.84.79 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 84 :RSGFGGYTT 1b5l 80 :TLLEQLCTG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24594 # 1h1nA.84.136 read from T0532.t2k.many.frag # found chain 1h1nA in training set Warning: unaligning (T0532)R84 (1h1nA)M137 because Y (epsilon') conformation "forbidden" or filtered. T0532 85 :SGFGGYTT 1h1nA 138 :DQTLVLNL Number of specific fragments extracted= 1 number of extra gaps= 1 total=24595 # 1r5yA.84.169 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 84 :RSGFGGYTT 1r5yA 170 :SSMERSMRW Number of specific fragments extracted= 1 number of extra gaps= 0 total=24596 # 1q7zA.84.118 read from T0532.t2k.many.frag # found chain 1q7zA in training set T0532 84 :RSGFGGYTT 1q7zA 119 :TLFEEFYEN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24597 1a41 expands to /projects/compbio/data/pdb/1a41.pdb.gz 1a41:Warning: there is no chain 1a41 will retry with 1a41A # 1a41.84.5 read from T0532.t2k.many.frag # adding 1a41 to template set # found chain 1a41 in template set T0532 84 :RSGFGGYTT 1a41 86 :RIFVRVYNV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24598 1oo0A expands to /projects/compbio/data/pdb/1oo0.pdb.gz 1oo0A:# 1oo0A.84.117 read from T0532.t2k.many.frag # adding 1oo0A to template set # found chain 1oo0A in template set T0532 84 :RSGFGGYTT 1oo0A 118 :EGLRCFYYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24599 # 1yzyA.84.52 read from T0532.t2k.many.frag # found chain 1yzyA in template set Warning: unaligning (T0532)R84 (1yzyA)N52 because P (beta_P) conformation "forbidden" or filtered. T0532 85 :SGFGGYTT 1yzyA 53 :PVNEAIEQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=24600 # 1gkmA.84.283 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 84 :RSGFGGYTT 1gkmA 284 :CQPQVMGAC Number of specific fragments extracted= 1 number of extra gaps= 0 total=24601 # 1bgc.84.72 read from T0532.t2k.many.frag # found chain 1bgc in training set T0532 84 :RSGFGGYTT 1bgc 74 :GCLNQLHGG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24602 # 1rkxA.84.155 read from T0532.t2k.many.frag # found chain 1rkxA in template set T0532 84 :RSGFGGYTT 1rkxA 156 :PYSNSKGCA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24603 # 1mtyB.84.141 read from T0532.t2k.many.frag # found chain 1mtyB in training set T0532 84 :RSGFGGYTT 1mtyB 147 :RYWGAFLFN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24604 # 1i24A.84.190 read from T0532.t2k.many.frag # found chain 1i24A in template set T0532 84 :RSGFGGYTT 1i24A 181 :FYHLSKVHD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24605 # 1f1mA.85.58 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 85 :SGFGGYTTL 1f1mA 96 :LMSGAYLIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24606 # 1vqrA.85.120 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 85 :SGFGGYTTL 1vqrA 109 :NTQNFLKTC Number of specific fragments extracted= 1 number of extra gaps= 0 total=24607 # 1jf8A.85.109 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 85 :SGFGGYTTL 1jf8A 110 :EWSEFQRVR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24608 # 2basA.85.154 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 85 :SGFGGYTTL 2basA 131 :DIEQLYHML Number of specific fragments extracted= 1 number of extra gaps= 0 total=24609 # 1bouB.85.28 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 85 :SGFGGYTTL 1bouB 29 :YWGPVFKGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24610 # 1h99A.85.71 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 85 :SGFGGYTTL 1h99A 125 :LYKDEFAIG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24611 # 2a2cA.85.350 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 85 :SGFGGYTTL 2a2cA 331 :RAKHVYSEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24612 # 1jyaA.85.98 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 85 :SGFGGYTTL 1jyaA 99 :DNNSLYTQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24613 # 1ua4A.85.240 read from T0532.t2k.many.frag # found chain 1ua4A in template set T0532 85 :SGFGGYTTL 1ua4A 241 :NYKEPFEIV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24614 # 1b5l.85.80 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 85 :SGFGGYTTL 1b5l 81 :LLEQLCTGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24615 # 1yrbA.85.151 read from T0532.t2k.many.frag # found chain 1yrbA in template set T0532 85 :SGFGGYTTL 1yrbA 138 :KPNDYCFVR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24616 # 1k47A.85.229 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 85 :SGFGGYTTL 1k47A 228 :FLTSSKETV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24617 # 1a41.85.6 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 85 :SGFGGYTTL 1a41 87 :IFVRVYNVM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24618 # 1vqoP.85.90 read from T0532.t2k.many.frag # found chain 1vqoP in template set T0532 85 :SGFGGYTTL 1vqoP 90 :SKEDWESRI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24619 # 2b1eA.85.182 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 85 :SGFGGYTTL 2b1eA 242 :YTEALLGFI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24620 # 2d2mC.85.62 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 85 :SGFGGYTTL 2d2mC 63 :FRAHCVRVV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24621 # 1r5yA.85.170 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 85 :SGFGGYTTL 1r5yA 171 :SMERSMRWA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24622 # 1o7qA.85.207 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 85 :SGFGGYTTL 1o7qA 287 :TPTQVLNIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24623 # 1q7zA.85.119 read from T0532.t2k.many.frag # found chain 1q7zA in training set T0532 85 :SGFGGYTTL 1q7zA 120 :LFEEFYENF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24624 # 1o7qA.85.115 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 85 :SGFGGYTTL 1o7qA 195 :WQDISMMRM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24625 # 1v7wA.85.457 read from T0532.t2k.many.frag # found chain 1v7wA in training set Warning: unaligning (T0532)S85 (1v7wA)G458 because S (epsilon) conformation "forbidden" or filtered. Warning: unaligning (T0532)G88 (1v7wA)S461 because P (beta_P) conformation "forbidden" or filtered. T0532 86 :GF 1v7wA 459 :EA T0532 89 :GYTTL 1v7wA 462 :VYEHM Number of specific fragments extracted= 2 number of extra gaps= 2 total=24627 # 2a5yB.85.195 read from T0532.t2k.many.frag # found chain 2a5yB in template set T0532 85 :SGFGGYTTL 2a5yB 196 :APKSTFDLF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24628 # 1gkmA.85.284 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 85 :SGFGGYTTL 1gkmA 285 :QPQVMGACL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24629 # 1yzyA.85.53 read from T0532.t2k.many.frag # found chain 1yzyA in template set T0532 85 :SGFGGYTTL 1yzyA 53 :PVNEAIEQS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24630 # 2bw3A.85.242 read from T0532.t2k.many.frag # found chain 2bw3A in template set Warning: unaligning (T0532)G86 (2bw3A)W319 because G (3-10) conformation "forbidden" or filtered. T0532 85 :S 2bw3A 318 :R T0532 87 :FGGYTTL 2bw3A 320 :NSTYTML Number of specific fragments extracted= 2 number of extra gaps= 1 total=24632 # 1oo0A.85.118 read from T0532.t2k.many.frag # found chain 1oo0A in template set T0532 85 :SGFGGYTTL 1oo0A 119 :GLRCFYYLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24633 # 1zymA.85.38 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 85 :SGFGGYTTL 1zymA 39 :EVERFLSGR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24634 # 1jayA.85.72 read from T0532.t2k.many.frag # found chain 1jayA in training set T0532 85 :SGFGGYTTL 1jayA 73 :PWEHAIDTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24635 # 1ccwB.85.299 read from T0532.t2k.many.frag # found chain 1ccwB in training set T0532 85 :SGFGGYTTL 1ccwB 300 :DESKAFGVI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24636 # 1tqgA.85.36 read from T0532.t2k.many.frag # found chain 1tqgA in training set T0532 85 :SGFGGYTTL 1tqgA 36 :LINEAFRAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24637 # 1f1mA.86.59 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 86 :GFGGYTTLI 1f1mA 97 :MSGAYLIST Number of specific fragments extracted= 1 number of extra gaps= 0 total=24638 # 1vqrA.86.121 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 86 :GFGGYTTLI 1vqrA 110 :TQNFLKTCN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24639 # 1bouB.86.29 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 86 :GFGGYTTLI 1bouB 30 :WGPVFKGYQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24640 # 1jf8A.86.110 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 86 :GFGGYTTLI 1jf8A 111 :WSEFQRVRD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24641 # 1h99A.86.72 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 86 :GFGGYTTLI 1h99A 126 :YKDEFAIGK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24642 # 1jyaA.86.99 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 86 :GFGGYTTLI 1jyaA 100 :NNSLYTQLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24643 # 2a2cA.86.351 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 86 :GFGGYTTLI 2a2cA 332 :AKHVYSEAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24644 # 1b5l.86.81 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 86 :GFGGYTTLI 1b5l 82 :LEQLCTGLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24645 # 1a41.86.7 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 86 :GFGGYTTLI 1a41 88 :FVRVYNVMK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24646 # 2d2mC.86.63 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 86 :GFGGYTTLI 2d2mC 64 :RAHCVRVVN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24647 # 2b1eA.86.183 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 86 :GFGGYTTLI 2b1eA 243 :TEALLGFIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24648 # 1ua4A.86.241 read from T0532.t2k.many.frag # found chain 1ua4A in template set T0532 86 :GFGGYTTLI 1ua4A 242 :YKEPFEIVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24649 # 2basA.86.155 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 86 :GFGGYTTLI 2basA 132 :IEQLYHMLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24650 # 1k47A.86.230 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 86 :GFGGYTTLI 1k47A 229 :LTSSKETVV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24651 # 1yrbA.86.152 read from T0532.t2k.many.frag # found chain 1yrbA in template set T0532 86 :GFGGYTTLI 1yrbA 139 :PNDYCFVRF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24652 # 1r5yA.86.171 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 86 :GFGGYTTLI 1r5yA 172 :MERSMRWAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24653 # 1vqoP.86.91 read from T0532.t2k.many.frag # found chain 1vqoP in template set T0532 86 :GFGGYTTLI 1vqoP 91 :KEDWESRIR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24654 # 1gkmA.86.285 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 86 :GFGGYTTLI 1gkmA 286 :PQVMGACLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24655 # 1o7qA.86.208 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 86 :GFGGYTTLI 1o7qA 288 :PTQVLNITQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24656 # 1v7wA.86.458 read from T0532.t2k.many.frag # found chain 1v7wA in training set Warning: unaligning (T0532)G86 (1v7wA)E459 because Y (epsilon') conformation "forbidden" or filtered. T0532 87 :FGGYTTLI 1v7wA 460 :ASVYEHMK Number of specific fragments extracted= 1 number of extra gaps= 1 total=24657 # 1t6cA.86.62 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 86 :GFGGYTTLI 1t6cA 60 :IEETIQVLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24658 # 1tqgA.86.37 read from T0532.t2k.many.frag # found chain 1tqgA in training set T0532 86 :GFGGYTTLI 1tqgA 37 :INEAFRALH Number of specific fragments extracted= 1 number of extra gaps= 0 total=24659 # 1jayA.86.73 read from T0532.t2k.many.frag # found chain 1jayA in training set T0532 86 :GFGGYTTLI 1jayA 74 :WEHAIDTAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24660 # 1q7zA.86.120 read from T0532.t2k.many.frag # found chain 1q7zA in training set T0532 86 :GFGGYTTLI 1q7zA 121 :FEEFYENFR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24661 # 1ccwB.86.300 read from T0532.t2k.many.frag # found chain 1ccwB in training set T0532 86 :GFGGYTTLI 1ccwB 301 :ESKAFGVIV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24662 # 2akaA.86.327 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)G88 (2akaA)S319 because N (gamma') conformation "forbidden" or filtered. T0532 86 :GF 2akaA 317 :GV T0532 89 :GYTTLI 2akaA 320 :DSEEFK Number of specific fragments extracted= 2 number of extra gaps= 1 total=24664 # 1zymA.86.39 read from T0532.t2k.many.frag # found chain 1zymA in template set T0532 86 :GFGGYTTLI 1zymA 40 :VERFLSGRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24665 1y5iC expands to /projects/compbio/data/pdb/1y5i.pdb.gz 1y5iC:# 1y5iC.86.51 read from T0532.t2k.many.frag # adding 1y5iC to template set # found chain 1y5iC in template set T0532 86 :GFGGYTTLI 1y5iC 52 :SNLFHIGIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24666 # 1x9dA.86.88 read from T0532.t2k.many.frag # found chain 1x9dA in training set T0532 86 :GFGGYTTLI 1x9dA 250 :QKGVIDVFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24667 # 2a5yB.86.196 read from T0532.t2k.many.frag # found chain 2a5yB in template set T0532 86 :GFGGYTTLI 2a5yB 197 :PKSTFDLFT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24668 # 1f1mA.87.60 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 87 :FGGYTTLIN 1f1mA 98 :SGAYLISTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24669 # 1h99A.87.73 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 87 :FGGYTTLIN 1h99A 127 :KDEFAIGKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24670 # 1bouB.87.30 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 87 :FGGYTTLIN 1bouB 31 :GPVFKGYQP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24671 # 1vqrA.87.122 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 87 :FGGYTTLIN 1vqrA 111 :QNFLKTCNE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24672 # 1jf8A.87.111 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 87 :FGGYTTLIN 1jf8A 112 :SEFQRVRDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24673 # 1b5l.87.82 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 87 :FGGYTTLIN 1b5l 83 :EQLCTGLQQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24674 # 1jyaA.87.100 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 87 :FGGYTTLIN 1jyaA 101 :NSLYTQLEM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24675 # 2b1eA.87.184 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 87 :FGGYTTLIN 2b1eA 244 :EALLGFIAN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24676 # 2d2mC.87.64 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 87 :FGGYTTLIN 2d2mC 65 :AHCVRVVNG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24677 # 1a41.87.8 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 87 :FGGYTTLIN 1a41 89 :VRVYNVMKR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24678 # 2a2cA.87.352 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 87 :FGGYTTLIN 2a2cA 333 :KHVYSEAAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24679 # 1k47A.87.231 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 87 :FGGYTTLIN 1k47A 230 :TSSKETVVS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24680 # 2basA.87.156 read from T0532.t2k.many.frag # found chain 2basA in template set T0532 87 :FGGYTTLIN 2basA 133 :EQLYHMLAY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24681 # 1vqoP.87.92 read from T0532.t2k.many.frag # found chain 1vqoP in template set T0532 87 :FGGYTTLIN 1vqoP 92 :EDWESRIRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24682 # 1r5yA.87.172 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 87 :FGGYTTLIN 1r5yA 173 :ERSMRWAKR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24683 # 1yrbA.87.153 read from T0532.t2k.many.frag # found chain 1yrbA in template set T0532 87 :FGGYTTLIN 1yrbA 140 :NDYCFVRFF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24684 # 1ua4A.87.242 read from T0532.t2k.many.frag # found chain 1ua4A in template set T0532 87 :FGGYTTLIN 1ua4A 243 :KEPFEIVKS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24685 # 1t6cA.87.63 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 87 :FGGYTTLIN 1t6cA 61 :EETIQVLKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24686 # 1gkmA.87.286 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 87 :FGGYTTLIN 1gkmA 287 :QVMGACLTQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24687 # 1jayA.87.74 read from T0532.t2k.many.frag # found chain 1jayA in training set T0532 87 :FGGYTTLIN 1jayA 75 :EHAIDTARD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24688 # 1o7qA.87.209 read from T0532.t2k.many.frag # found chain 1o7qA in training set T0532 87 :FGGYTTLIN 1o7qA 289 :TQVLNITQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24689 # 2akaA.87.328 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 87 :FGGYTTLIN 2akaA 318 :VSDSEEFKI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24690 # 1tqgA.87.38 read from T0532.t2k.many.frag # found chain 1tqgA in training set T0532 87 :FGGYTTLIN 1tqgA 38 :NEAFRALHT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24691 1jqnA expands to /projects/compbio/data/pdb/1jqn.pdb.gz 1jqnA:# 1jqnA.87.214 read from T0532.t2k.many.frag # adding 1jqnA to template set # found chain 1jqnA in template set T0532 87 :FGGYTTLIN 1jqnA 215 :QGVPNYLRE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24692 # 1ccwB.87.301 read from T0532.t2k.many.frag # found chain 1ccwB in training set T0532 87 :FGGYTTLIN 1ccwB 302 :SKAFGVIVT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24693 1rlzA expands to /projects/compbio/data/pdb/1rlz.pdb.gz 1rlzA:# 1rlzA.87.56 read from T0532.t2k.many.frag # adding 1rlzA to template set # found chain 1rlzA in template set T0532 87 :FGGYTTLIN 1rlzA 57 :TNFGRAVQQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24694 # 1v7wA.87.459 read from T0532.t2k.many.frag # found chain 1v7wA in training set T0532 87 :FGGYTTLIN 1v7wA 460 :ASVYEHMKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24695 # 1x9dA.87.89 read from T0532.t2k.many.frag # found chain 1x9dA in training set Warning: unaligning (T0532)G88 (1x9dA)G252 because H (helix) conformation "forbidden" or filtered. T0532 87 :F 1x9dA 251 :K T0532 89 :GYTTLIN 1x9dA 253 :VIDVFLH Number of specific fragments extracted= 2 number of extra gaps= 1 total=24697 # 1y5iC.87.52 read from T0532.t2k.many.frag # found chain 1y5iC in template set T0532 87 :FGGYTTLIN 1y5iC 53 :NLFHIGILG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24698 1dzfA expands to /projects/compbio/data/pdb/1dzf.pdb.gz 1dzfA:# 1dzfA.87.9 read from T0532.t2k.many.frag # adding 1dzfA to template set # found chain 1dzfA in template set T0532 87 :FGGYTTLIN 1dzfA 10 :SRLWRAFRT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24699 # 1f1mA.88.61 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 88 :GGYTTLINA 1f1mA 99 :GAYLISTLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24700 # 1vqrA.88.123 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 88 :GGYTTLINA 1vqrA 112 :NFLKTCNEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24701 # 1h99A.88.74 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 88 :GGYTTLINA 1h99A 128 :DEFAIGKEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24702 # 1bouB.88.31 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 88 :GGYTTLINA 1bouB 32 :PVFKGYQPI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24703 # 1jyaA.88.101 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 88 :GGYTTLINA 1jyaA 102 :SLYTQLEML Number of specific fragments extracted= 1 number of extra gaps= 0 total=24704 # 2b1eA.88.185 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 88 :GGYTTLINA 2b1eA 245 :ALLGFIANE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24705 # 1jf8A.88.112 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 88 :GGYTTLINA 1jf8A 113 :EFQRVRDEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24706 # 1a41.88.9 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 88 :GGYTTLINA 1a41 90 :RVYNVMKRI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24707 # 1b5l.88.83 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 88 :GGYTTLINA 1b5l 84 :QLCTGLQQQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24708 # 1r5yA.88.173 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 88 :GGYTTLINA 1r5yA 174 :RSMRWAKRS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24709 # 2d2mC.88.65 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 88 :GGYTTLINA 2d2mC 66 :HCVRVVNGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24710 # 2a2cA.88.353 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 88 :GGYTTLINA 2a2cA 334 :HVYSEAARV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24711 # 1t6cA.88.64 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 88 :GGYTTLINA 1t6cA 62 :ETIQVLKEY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24712 # 1gkmA.88.287 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 88 :GGYTTLINA 1gkmA 288 :VMGACLTQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24713 # 1k47A.88.232 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 88 :GGYTTLINA 1k47A 231 :SSKETVVSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24714 1vkmA expands to /projects/compbio/data/pdb/1vkm.pdb.gz 1vkmA:Skipped atom 129, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 135, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 137, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 139, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 559, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 563, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 565, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 567, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 569, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 627, because occupancy 0.200 <= existing 0.800 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 631, because occupancy 0.200 <= existing 0.800 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 633, because occupancy 0.200 <= existing 0.800 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 635, because occupancy 0.200 <= existing 0.800 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 637, because occupancy 0.200 <= existing 0.800 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 755, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 757, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1109, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 1113, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 1115, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1279, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1283, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1285, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1287, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1289, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 1569, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 1573, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 1575, because occupancy 0.500 <= existing 0.500 in 1vkmA Skipped atom 1577, because occupancy 0.500 <= existing 0.500 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1741, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1745, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1747, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1749, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1751, because occupancy 0.300 <= existing 0.700 in 1vkmA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1vkmA.88.40 read from T0532.t2k.many.frag # adding 1vkmA to template set # found chain 1vkmA in template set T0532 88 :GGYTTLINA 1vkmA 29 :EAIELFRRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24715 # 1jqnA.88.215 read from T0532.t2k.many.frag # found chain 1jqnA in template set T0532 88 :GGYTTLINA 1jqnA 216 :GVPNYLREL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24716 # 7odcA.88.206 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 88 :GGYTTLINA 7odcA 207 :TFVQAVSDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24717 # 1rlzA.88.57 read from T0532.t2k.many.frag # found chain 1rlzA in template set T0532 88 :GGYTTLINA 1rlzA 58 :NFGRAVQQV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24718 1t98A expands to /projects/compbio/data/pdb/1t98.pdb.gz 1t98A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1t98A.88.130 read from T0532.t2k.many.frag # adding 1t98A to template set # found chain 1t98A in template set T0532 88 :GGYTTLINA 1t98A 131 :IVAGELKRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24719 # 2akaA.88.329 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 88 :GGYTTLINA 2akaA 319 :SDSEEFKIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24720 # 1vqoP.88.93 read from T0532.t2k.many.frag # found chain 1vqoP in template set T0532 88 :GGYTTLINA 1vqoP 93 :DWESRIRAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24721 # 1zgmA.88.108 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 88 :GGYTTLINA 1zgmA 97 :LSAKIVNDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24722 # 1ccwB.88.302 read from T0532.t2k.many.frag # found chain 1ccwB in training set T0532 88 :GGYTTLINA 1ccwB 303 :KAFGVIVTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24723 2fbwB expands to /projects/compbio/data/pdb/2fbw.pdb.gz 2fbwB:# 2fbwB.88.229 read from T0532.t2k.many.frag # adding 2fbwB to template set # found chain 2fbwB in template set Warning: unaligning (T0532)G88 (2fbwB)N230 because D (zeta) conformation "forbidden" or filtered. T0532 89 :GYTTLINA 2fbwB 231 :PGKAIAEI Number of specific fragments extracted= 1 number of extra gaps= 1 total=24724 # 1v7wA.88.460 read from T0532.t2k.many.frag # found chain 1v7wA in training set Warning: unaligning (T0532)G88 (1v7wA)S461 because P (beta_P) conformation "forbidden" or filtered. T0532 89 :GYTTLINA 1v7wA 462 :VYEHMKAA Number of specific fragments extracted= 1 number of extra gaps= 1 total=24725 # 1hdoA.88.85 read from T0532.t2k.many.frag # found chain 1hdoA in training set T0532 88 :GGYTTLINA 1hdoA 86 :VMSEGARNI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24726 # 1lm5A.88.74 read from T0532.t2k.many.frag # found chain 1lm5A in training set T0532 88 :GGYTTLINA 1lm5A 2683 :DMATRLKPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24727 1fjgT expands to /projects/compbio/data/pdb/1fjg.pdb.gz 1fjgT:# 1fjgT.88.50 read from T0532.t2k.many.frag # adding 1fjgT to template set # found chain 1fjgT in template set T0532 88 :GGYTTLINA 1fjgT 51 :EALKIMRKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24728 # 1yrbA.88.154 read from T0532.t2k.many.frag # found chain 1yrbA in template set T0532 88 :GGYTTLINA 1yrbA 141 :DYCFVRFFA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24729 # 1bouB.89.32 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 89 :GYTTLINAQ 1bouB 33 :VFKGYQPIR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24730 # 1h99A.89.75 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 89 :GYTTLINAQ 1h99A 129 :EFAIGKEAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24731 # 1r5yA.89.174 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 89 :GYTTLINAQ 1r5yA 175 :SMRWAKRSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24732 # 1jyaA.89.102 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 89 :GYTTLINAQ 1jyaA 103 :LYTQLEMLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24733 # 1a41.89.10 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 89 :GYTTLINAQ 1a41 91 :VYNVMKRIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24734 # 1vqrA.89.124 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 89 :GYTTLINAQ 1vqrA 113 :FLKTCNEEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24735 # 2b1eA.89.186 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 89 :GYTTLINAQ 2b1eA 246 :LLGFIANEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24736 # 1f1mA.89.62 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 89 :GYTTLINAQ 1f1mA 100 :AYLISTLIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24737 # 1b5l.89.84 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 89 :GYTTLINAQ 1b5l 85 :LCTGLQQQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24738 # 1vkmA.89.41 read from T0532.t2k.many.frag # found chain 1vkmA in template set T0532 89 :GYTTLINAQ 1vkmA 30 :AIELFRRAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24739 # 2a2cA.89.354 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 89 :GYTTLINAQ 2a2cA 335 :VYSEAARVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24740 # 1t6cA.89.65 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 89 :GYTTLINAQ 1t6cA 63 :TIQVLKEYK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24741 # 1gkmA.89.288 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 89 :GYTTLINAQ 1gkmA 289 :MGACLTQLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24742 # 2d2mC.89.66 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 89 :GYTTLINAQ 2d2mC 67 :CVRVVNGLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24743 # 1zgmA.89.109 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 89 :GYTTLINAQ 1zgmA 98 :SAKIVNDAN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24744 # 1jf8A.89.113 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 89 :GYTTLINAQ 1jf8A 114 :FQRVRDEIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24745 # 7odcA.89.207 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 89 :GYTTLINAQ 7odcA 208 :FVQAVSDAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24746 # 1jqnA.89.216 read from T0532.t2k.many.frag # found chain 1jqnA in template set T0532 89 :GYTTLINAQ 1jqnA 217 :VPNYLRELN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24747 # 1ntvA.89.127 read from T0532.t2k.many.frag # found chain 1ntvA in training set T0532 89 :GYTTLINAQ 1ntvA 150 :VILDLRDLF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24748 # 1rlzA.89.58 read from T0532.t2k.many.frag # found chain 1rlzA in template set T0532 89 :GYTTLINAQ 1rlzA 59 :FGRAVQQVN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24749 # 2akaA.89.330 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 89 :GYTTLINAQ 2akaA 320 :DSEEFKITR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24750 # 1hdoA.89.86 read from T0532.t2k.many.frag # found chain 1hdoA in training set T0532 89 :GYTTLINAQ 1hdoA 87 :MSEGARNIV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24751 # 2fbwB.89.230 read from T0532.t2k.many.frag # found chain 2fbwB in template set T0532 89 :GYTTLINAQ 2fbwB 231 :PGKAIAEIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24752 # 1t98A.89.131 read from T0532.t2k.many.frag # found chain 1t98A in template set T0532 89 :GYTTLINAQ 1t98A 132 :VAGELKRAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24753 # 1fjgT.89.51 read from T0532.t2k.many.frag # found chain 1fjgT in template set T0532 89 :GYTTLINAQ 1fjgT 52 :ALKIMRKAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24754 # 1k47A.89.233 read from T0532.t2k.many.frag # found chain 1k47A in template set T0532 89 :GYTTLINAQ 1k47A 232 :SKETVVSLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24755 # 1c1kA.89.112 read from T0532.t2k.many.frag # found chain 1c1kA in training set T0532 89 :GYTTLINAQ 1c1kA 113 :FEEDIRNIY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24756 # 1dzfA.89.11 read from T0532.t2k.many.frag # found chain 1dzfA in template set T0532 89 :GYTTLINAQ 1dzfA 12 :LWRAFRTVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24757 # 1mswD.89.77 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 89 :GYTTLINAQ 1mswD 78 :LPKMIARIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24758 # 1es9A.89.112 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 89 :GYTTLINAQ 1es9A 113 :VTGGIKAIV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24759 # 1a41.90.11 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 90 :YTTLINAQK 1a41 92 :YNVMKRINC Number of specific fragments extracted= 1 number of extra gaps= 0 total=24760 # 1h99A.90.76 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 90 :YTTLINAQK 1h99A 130 :FAIGKEALV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24761 # 1vkmA.90.42 read from T0532.t2k.many.frag # found chain 1vkmA in template set T0532 90 :YTTLINAQK 1vkmA 31 :IELFRRAKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24762 # 1r5yA.90.175 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 90 :YTTLINAQK 1r5yA 176 :MRWAKRSRD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24763 # 2b1eA.90.187 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 90 :YTTLINAQK 2b1eA 247 :LGFIANEKS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24764 # 1zgmA.90.110 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 90 :YTTLINAQK 1zgmA 99 :AKIVNDAND Number of specific fragments extracted= 1 number of extra gaps= 0 total=24765 # 1vqrA.90.125 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 90 :YTTLINAQK 1vqrA 114 :LKTCNEEAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24766 # 1bouB.90.33 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 90 :YTTLINAQK 1bouB 34 :FKGYQPIRD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24767 # 1t6cA.90.66 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 90 :YTTLINAQK 1t6cA 64 :IQVLKEYKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24768 # 1ntvA.90.128 read from T0532.t2k.many.frag # found chain 1ntvA in training set T0532 90 :YTTLINAQK 1ntvA 151 :ILDLRDLFQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24769 # 1jyaA.90.103 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 90 :YTTLINAQK 1jyaA 104 :YTQLEMLVQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24770 # 1gkmA.90.289 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 90 :YTTLINAQK 1gkmA 290 :GACLTQLRQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24771 # 7odcA.90.208 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 90 :YTTLINAQK 7odcA 209 :VQAVSDARC Number of specific fragments extracted= 1 number of extra gaps= 0 total=24772 # 1t98A.90.132 read from T0532.t2k.many.frag # found chain 1t98A in template set T0532 90 :YTTLINAQK 1t98A 133 :AGELKRAAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24773 # 1b5l.90.85 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 90 :YTTLINAQK 1b5l 86 :CTGLQQQLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24774 # 2fbwB.90.231 read from T0532.t2k.many.frag # found chain 2fbwB in template set T0532 90 :YTTLINAQK 2fbwB 232 :GKAIAEIKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24775 # 1f1mA.90.63 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 90 :YTTLINAQK 1f1mA 101 :YLISTLITK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24776 # 1jf8A.90.114 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 90 :YTTLINAQK 1jf8A 115 :QRVRDEIKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24777 # 2d2mC.90.67 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 90 :YTTLINAQK 2d2mC 68 :VRVVNGLDV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24778 # 1jqnA.90.217 read from T0532.t2k.many.frag # found chain 1jqnA in template set T0532 90 :YTTLINAQK 1jqnA 218 :PNYLRELNE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24779 # 2a2cA.90.355 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 90 :YTTLINAQK 2a2cA 336 :YSEAARVLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24780 # 1hdoA.90.87 read from T0532.t2k.many.frag # found chain 1hdoA in training set T0532 90 :YTTLINAQK 1hdoA 88 :SEGARNIVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24781 # 1fjgT.90.52 read from T0532.t2k.many.frag # found chain 1fjgT in template set T0532 90 :YTTLINAQK 1fjgT 53 :LKIMRKAES Number of specific fragments extracted= 1 number of extra gaps= 0 total=24782 # 1mswD.90.78 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 90 :YTTLINAQK 1mswD 79 :PKMIARIND Number of specific fragments extracted= 1 number of extra gaps= 0 total=24783 1gw5S expands to /projects/compbio/data/pdb/1gw5.pdb.gz 1gw5S:# 1gw5S.90.80 read from T0532.t2k.many.frag # adding 1gw5S to template set # found chain 1gw5S in template set T0532 90 :YTTLINAQK 1gw5S 81 :LEAIHNFVE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24784 # 1rlzA.90.59 read from T0532.t2k.many.frag # found chain 1rlzA in template set T0532 90 :YTTLINAQK 1rlzA 60 :GRAVQQVNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24785 # 1es9A.90.113 read from T0532.t2k.many.frag # found chain 1es9A in training set T0532 90 :YTTLINAQK 1es9A 114 :TGGIKAIVQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24786 # 2akaA.90.331 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 90 :YTTLINAQK 2akaA 321 :SEEFKITRQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24787 # 1c1kA.90.113 read from T0532.t2k.many.frag # found chain 1c1kA in training set T0532 90 :YTTLINAQK 1c1kA 114 :EEDIRNIYY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24788 # 1izmA.90.101 read from T0532.t2k.many.frag # found chain 1izmA in template set T0532 90 :YTTLINAQK 1izmA 100 :SDWANQFLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24789 # 1zgmA.91.111 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 91 :TTLINAQKM 1zgmA 100 :KIVNDANDV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24790 # 1a41.91.12 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 91 :TTLINAQKM 1a41 93 :NVMKRINCF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24791 # 1h99A.91.77 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 91 :TTLINAQKM 1h99A 131 :AIGKEALVM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24792 # 1vkmA.91.43 read from T0532.t2k.many.frag # found chain 1vkmA in template set T0532 91 :TTLINAQKM 1vkmA 32 :ELFRRAKEI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24793 # 2b1eA.91.188 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 91 :TTLINAQKM 2b1eA 248 :GFIANEKSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24794 # 2fbwB.91.232 read from T0532.t2k.many.frag # found chain 2fbwB in template set T0532 91 :TTLINAQKM 2fbwB 233 :KAIAEIKKM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24795 # 1ntvA.91.129 read from T0532.t2k.many.frag # found chain 1ntvA in training set T0532 91 :TTLINAQKM 1ntvA 152 :LDLRDLFQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24796 # 1r5yA.91.176 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 91 :TTLINAQKM 1r5yA 177 :RWAKRSRDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24797 # 1mswD.91.79 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 91 :TTLINAQKM 1mswD 80 :KMIARINDW Number of specific fragments extracted= 1 number of extra gaps= 0 total=24798 # 1bouB.91.34 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 91 :TTLINAQKM 1bouB 35 :KGYQPIRDW Number of specific fragments extracted= 1 number of extra gaps= 0 total=24799 # 1jf8A.91.115 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 91 :TTLINAQKM 1jf8A 116 :RVRDEIKLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24800 # 1t6cA.91.67 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 91 :TTLINAQKM 1t6cA 65 :QVLKEYKKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24801 # 1f1mA.91.64 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 91 :TTLINAQKM 1f1mA 102 :LISTLITKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24802 # 7odcA.91.209 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 91 :TTLINAQKM 7odcA 210 :QAVSDARCV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24803 # 1jyaA.91.104 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 91 :TTLINAQKM 1jyaA 105 :TQLEMLVQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24804 # 2a2cA.91.356 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 91 :TTLINAQKM 2a2cA 337 :SEAARVLQF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24805 # 1gkmA.91.290 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 91 :TTLINAQKM 1gkmA 291 :ACLTQLRQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24806 # 1c1kA.91.114 read from T0532.t2k.many.frag # found chain 1c1kA in training set T0532 91 :TTLINAQKM 1c1kA 115 :EDIRNIYYF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24807 # 1ix9A.91.32 read from T0532.t2k.many.frag # found chain 1ix9A in training set T0532 91 :TTLINAQKM 1ix9A 33 :TYVNNANAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24808 # 1jqnA.91.218 read from T0532.t2k.many.frag # found chain 1jqnA in template set T0532 91 :TTLINAQKM 1jqnA 219 :NYLRELNEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24809 # 2d2mC.91.68 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 91 :TTLINAQKM 2d2mC 69 :RVVNGLDVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24810 # 1vqrA.91.126 read from T0532.t2k.many.frag # found chain 1vqrA in template set T0532 91 :TTLINAQKM 1vqrA 115 :KTCNEEATF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24811 # 1b5l.91.86 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 91 :TTLINAQKM 1b5l 87 :TGLQQQLDH Number of specific fragments extracted= 1 number of extra gaps= 0 total=24812 # 1t98A.91.133 read from T0532.t2k.many.frag # found chain 1t98A in template set T0532 91 :TTLINAQKM 1t98A 134 :GELKRAADA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24813 2a1rA expands to /projects/compbio/data/pdb/2a1r.pdb.gz 2a1rA:# 2a1rA.91.9 read from T0532.t2k.many.frag # adding 2a1rA to template set # found chain 2a1rA in template set T0532 91 :TTLINAQKM 2a1rA 10 :SNLHKVYQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24814 # 2akaA.91.332 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 91 :TTLINAQKM 2akaA 322 :EEFKITRQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24815 # 1rlzA.91.60 read from T0532.t2k.many.frag # found chain 1rlzA in template set T0532 91 :TTLINAQKM 1rlzA 61 :RAVQQVNAM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24816 1r6fA expands to /projects/compbio/data/pdb/1r6f.pdb.gz 1r6fA:# 1r6fA.91.73 read from T0532.t2k.many.frag # adding 1r6fA to template set # found chain 1r6fA in template set T0532 91 :TTLINAQKM 1r6fA 96 :NGIKRVKEF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24817 2b8nA expands to /projects/compbio/data/pdb/2b8n.pdb.gz 2b8nA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 2b8nA.91.110 read from T0532.t2k.many.frag # adding 2b8nA to template set # found chain 2b8nA in template set T0532 91 :TTLINAQKM 2b8nA 99 :KTTRRVLEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24818 2gmfA expands to /projects/compbio/data/pdb/2gmf.pdb.gz 2gmfA:# 2gmfA.91.16 read from T0532.t2k.many.frag # adding 2gmfA to template set # found chain 2gmfA in template set T0532 91 :TTLINAQKM 2gmfA 17 :NAIQEARRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24819 # 1zgmA.92.112 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 92 :TLINAQKMV 1zgmA 101 :IVNDANDVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24820 # 1a41.92.13 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 92 :TLINAQKMV 1a41 94 :VMKRINCFI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24821 # 1h99A.92.78 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 92 :TLINAQKMV 1h99A 132 :IGKEALVMV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24822 # 1vkmA.92.44 read from T0532.t2k.many.frag # found chain 1vkmA in template set T0532 92 :TLINAQKMV 1vkmA 33 :LFRRAKEIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24823 # 2fbwB.92.233 read from T0532.t2k.many.frag # found chain 2fbwB in template set T0532 92 :TLINAQKMV 2fbwB 234 :AIAEIKKMM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24824 # 1ntvA.92.130 read from T0532.t2k.many.frag # found chain 1ntvA in training set T0532 92 :TLINAQKMV 1ntvA 153 :DLRDLFQLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24825 # 1mswD.92.80 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 92 :TLINAQKMV 1mswD 81 :MIARINDWF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24826 # 1r5yA.92.177 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 92 :TLINAQKMV 1r5yA 178 :WAKRSRDAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24827 # 1jf8A.92.116 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 92 :TLINAQKMV 1jf8A 117 :VRDEIKLAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24828 # 2a2cA.92.357 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 92 :TLINAQKMV 2a2cA 338 :EAARVLQFK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24829 # 2b1eA.92.189 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 92 :TLINAQKMV 2b1eA 249 :FIANEKSLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24830 # 1t6cA.92.68 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 92 :TLINAQKMV 1t6cA 66 :VLKEYKKLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24831 # 2a1rA.92.10 read from T0532.t2k.many.frag # found chain 2a1rA in template set T0532 92 :TLINAQKMV 2a1rA 11 :NLHKVYQAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24832 # 7odcA.92.210 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 92 :TLINAQKMV 7odcA 211 :AVSDARCVF Number of specific fragments extracted= 1 number of extra gaps= 0 total=24833 # 1gkmA.92.291 read from T0532.t2k.many.frag # found chain 1gkmA in training set T0532 92 :TLINAQKMV 1gkmA 292 :CLTQLRQAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24834 # 1jyaA.92.105 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 92 :TLINAQKMV 1jyaA 106 :QLEMLVQGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24835 # 1f1mA.92.65 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 92 :TLINAQKMV 1f1mA 103 :ISTLITKKI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24836 # 1b5l.92.87 read from T0532.t2k.many.frag # found chain 1b5l in template set T0532 92 :TLINAQKMV 1b5l 88 :GLQQQLDHL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24837 # 1rlzA.92.61 read from T0532.t2k.many.frag # found chain 1rlzA in template set T0532 92 :TLINAQKMV 1rlzA 62 :AVQQVNAMI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24838 # 2akaA.92.333 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 92 :TLINAQKMV 2akaA 323 :EFKITRQAM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24839 # 1bouB.92.35 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 92 :TLINAQKMV 1bouB 36 :GYQPIRDWI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24840 # 1jqnA.92.219 read from T0532.t2k.many.frag # found chain 1jqnA in template set T0532 92 :TLINAQKMV 1jqnA 220 :YLRELNEQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24841 # 2gmfA.92.17 read from T0532.t2k.many.frag # found chain 2gmfA in template set T0532 92 :TLINAQKMV 2gmfA 18 :AIQEARRLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24842 # 1ix9A.92.33 read from T0532.t2k.many.frag # found chain 1ix9A in training set T0532 92 :TLINAQKMV 1ix9A 34 :YVNNANAAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24843 # 2d2mC.92.69 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 92 :TLINAQKMV 2d2mC 70 :VVNGLDVAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24844 # 1c1kA.92.115 read from T0532.t2k.many.frag # found chain 1c1kA in training set T0532 92 :TLINAQKMV 1c1kA 116 :DIRNIYYFS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24845 # 1t98A.92.134 read from T0532.t2k.many.frag # found chain 1t98A in template set T0532 92 :TLINAQKMV 1t98A 135 :ELKRAADAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24846 # 1r6fA.92.74 read from T0532.t2k.many.frag # found chain 1r6fA in template set T0532 92 :TLINAQKMV 1r6fA 97 :GIKRVKEFL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24847 # 1fjgT.92.54 read from T0532.t2k.many.frag # found chain 1fjgT in template set T0532 92 :TLINAQKMV 1fjgT 55 :IMRKAESLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24848 # 1ah7.92.16 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 92 :TLINAQKMV 1ah7 17 :IVNRAIDIM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24849 # 2a1rA.93.11 read from T0532.t2k.many.frag # found chain 2a1rA in template set T0532 93 :LINAQKMVE 2a1rA 12 :LHKVYQAIE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24850 # 1h99A.93.79 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 93 :LINAQKMVE 1h99A 133 :GKEALVMVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24851 # 1zgmA.93.113 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 93 :LINAQKMVE 1zgmA 102 :VNDANDVLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24852 # 1vkmA.93.45 read from T0532.t2k.many.frag # found chain 1vkmA in template set T0532 93 :LINAQKMVE 1vkmA 34 :FRRAKEISR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24853 # 1a41.93.14 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 93 :LINAQKMVE 1a41 95 :MKRINCFIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24854 # 2fbwB.93.234 read from T0532.t2k.many.frag # found chain 2fbwB in template set T0532 93 :LINAQKMVE 2fbwB 235 :IAEIKKMMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24855 # 2a2cA.93.358 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 93 :LINAQKMVE 2a2cA 339 :AARVLQFKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24856 # 2akaA.93.334 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 93 :LINAQKMVE 2akaA 324 :FKITRQAMD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24857 # 1ntvA.93.131 read from T0532.t2k.many.frag # found chain 1ntvA in training set T0532 93 :LINAQKMVE 1ntvA 154 :LRDLFQLIY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24858 # 1f1mA.93.66 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 93 :LINAQKMVE 1f1mA 104 :STLITKKIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24859 # 2gmfA.93.18 read from T0532.t2k.many.frag # found chain 2gmfA in template set T0532 93 :LINAQKMVE 2gmfA 19 :IQEARRLLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24860 2bjfA expands to /projects/compbio/data/pdb/2bjf.pdb.gz 2bjfA:Skipped atom 72, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 73, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 74, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 75, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 76, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 77, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 78, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 79, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 290, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 291, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 292, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 293, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 294, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 295, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 296, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 297, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 645, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 646, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 647, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 648, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 649, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 650, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 651, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 652, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 951, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 952, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 953, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 954, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 955, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 956, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 957, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 958, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 959, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1089, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1090, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1091, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1092, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1093, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1094, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1095, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1096, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1097, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1329, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1330, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1331, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1332, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1333, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1334, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1335, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1336, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1529, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1530, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1531, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1532, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1533, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1534, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1535, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1536, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 1537, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2235, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2236, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2237, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2238, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2239, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2240, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2241, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2242, because occupancy 0.500 <= existing 0.500 in 2bjfA Skipped atom 2243, because occupancy 0.500 <= existing 0.500 in 2bjfA # 2bjfA.93.115 read from T0532.t2k.many.frag # adding 2bjfA to template set # found chain 2bjfA in template set T0532 93 :LINAQKMVE 2bjfA 116 :VEEVKEALK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24861 # 1yrbA.93.159 read from T0532.t2k.many.frag # found chain 1yrbA in template set T0532 93 :LINAQKMVE 1yrbA 146 :RFFALLIDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24862 # 1r6fA.93.75 read from T0532.t2k.many.frag # found chain 1r6fA in template set T0532 93 :LINAQKMVE 1r6fA 98 :IKRVKEFLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24863 # 2b1eA.93.190 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 93 :LINAQKMVE 2b1eA 250 :IANEKSLVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24864 # 1r5yA.93.178 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 93 :LINAQKMVE 1r5yA 179 :AKRSRDAFD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24865 # 1ah7.93.17 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 93 :LINAQKMVE 1ah7 18 :VNRAIDIMS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24866 # 1ix9A.93.34 read from T0532.t2k.many.frag # found chain 1ix9A in training set Warning: unaligning (T0532)V100 (1ix9A)L42 because G (3-10) conformation "forbidden" or filtered. T0532 93 :LINAQKM 1ix9A 35 :VNNANAA T0532 101 :E 1ix9A 43 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=24868 # 1t6cA.93.69 read from T0532.t2k.many.frag # found chain 1t6cA in training set T0532 93 :LINAQKMVE 1t6cA 67 :LKEYKKLID Number of specific fragments extracted= 1 number of extra gaps= 0 total=24869 # 1msk.93.80 read from T0532.t2k.many.frag # found chain 1msk in training set T0532 93 :LINAQKMVE 1msk 977 :FKDANDMLD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24870 # 7odcA.93.211 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 93 :LINAQKMVE 7odcA 212 :VSDARCVFD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24871 # 1mswD.93.81 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 93 :LINAQKMVE 1mswD 82 :IARINDWFE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24872 # 2d2mC.93.70 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 93 :LINAQKMVE 2d2mC 71 :VNGLDVAIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24873 # 1c1kA.93.116 read from T0532.t2k.many.frag # found chain 1c1kA in training set T0532 93 :LINAQKMVE 1c1kA 117 :IRNIYYFSK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24874 # 1jf8A.93.117 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 93 :LINAQKMVE 1jf8A 118 :RDEIKLAIE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24875 # 2b8nA.93.112 read from T0532.t2k.many.frag # found chain 2b8nA in template set T0532 93 :LINAQKMVE 2b8nA 101 :TRRVLELVD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24876 # 1hz4A.93.115 read from T0532.t2k.many.frag # found chain 1hz4A in training set T0532 93 :LINAQKMVE 1hz4A 114 :QEKAFQLIN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24877 # 1qkrA.93.23 read from T0532.t2k.many.frag # found chain 1qkrA in training set T0532 93 :LINAQKMVE 1qkrA 902 :ARQLHDEAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24878 1z5oA expands to /projects/compbio/data/pdb/1z5o.pdb.gz 1z5oA:# 1z5oA.93.135 read from T0532.t2k.many.frag # adding 1z5oA to template set # found chain 1z5oA in template set T0532 93 :LINAQKMVE 1z5oA 126 :IAAAEACIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24879 # 1bouB.93.36 read from T0532.t2k.many.frag # found chain 1bouB in template set T0532 93 :LINAQKMVE 1bouB 37 :YQPIRDWIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24880 # 2a1rA.94.12 read from T0532.t2k.many.frag # found chain 2a1rA in template set T0532 94 :INAQKMVES 2a1rA 13 :HKVYQAIEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24881 # 1zgmA.94.114 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 94 :INAQKMVES 1zgmA 103 :NDANDVLDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24882 # 1vkmA.94.46 read from T0532.t2k.many.frag # found chain 1vkmA in template set T0532 94 :INAQKMVES 1vkmA 35 :RRAKEISRE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24883 # 2fbwB.94.235 read from T0532.t2k.many.frag # found chain 2fbwB in template set T0532 94 :INAQKMVES 2fbwB 236 :AEIKKMMAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24884 # 2a2cA.94.359 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 94 :INAQKMVES 2a2cA 340 :ARVLQFKKI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24885 # 1a41.94.15 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 94 :INAQKMVES 1a41 96 :KRINCFINK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24886 # 2akaA.94.335 read from T0532.t2k.many.frag # found chain 2akaA in template set T0532 94 :INAQKMVES 2akaA 325 :KITRQAMDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24887 # 1h99A.94.80 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 94 :INAQKMVES 1h99A 134 :KEALVMVKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24888 # 2b1eA.94.191 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 94 :INAQKMVES 2b1eA 251 :ANEKSLVDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24889 # 1ix9A.94.35 read from T0532.t2k.many.frag # found chain 1ix9A in training set T0532 94 :INAQKMVES 1ix9A 36 :NNANAALES Number of specific fragments extracted= 1 number of extra gaps= 0 total=24890 # 1r6fA.94.76 read from T0532.t2k.many.frag # found chain 1r6fA in template set T0532 94 :INAQKMVES 1r6fA 99 :KRVKEFLES Number of specific fragments extracted= 1 number of extra gaps= 0 total=24891 # 1ntvA.94.132 read from T0532.t2k.many.frag # found chain 1ntvA in training set T0532 94 :INAQKMVES 1ntvA 155 :RDLFQLIYE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24892 # 1yrbA.94.160 read from T0532.t2k.many.frag # found chain 1yrbA in template set T0532 94 :INAQKMVES 1yrbA 147 :FFALLIDLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24893 # 2d2mC.94.71 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 94 :INAQKMVES 2d2mC 72 :NGLDVAINM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24894 # 2gmfA.94.19 read from T0532.t2k.many.frag # found chain 2gmfA in template set T0532 94 :INAQKMVES 2gmfA 20 :QEARRLLNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24895 # 1ah7.94.18 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 94 :INAQKMVES 1ah7 19 :NRAIDIMSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24896 # 1mswD.94.82 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 94 :INAQKMVES 1mswD 83 :ARINDWFEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24897 # 1hz4A.94.116 read from T0532.t2k.many.frag # found chain 1hz4A in training set T0532 94 :INAQKMVES 1hz4A 115 :EKAFQLINE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24898 # 1r5yA.94.179 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 94 :INAQKMVES 1r5yA 180 :KRSRDAFDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24899 # 1jf8A.94.118 read from T0532.t2k.many.frag # found chain 1jf8A in training set T0532 94 :INAQKMVES 1jf8A 119 :DEIKLAIEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24900 # 1z5oA.94.136 read from T0532.t2k.many.frag # found chain 1z5oA in template set T0532 94 :INAQKMVES 1z5oA 127 :AAAEACIAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24901 # 2bjfA.94.116 read from T0532.t2k.many.frag # found chain 2bjfA in template set T0532 94 :INAQKMVES 2bjfA 117 :EEVKEALKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24902 # 1msk.94.81 read from T0532.t2k.many.frag # found chain 1msk in training set T0532 94 :INAQKMVES 1msk 978 :KDANDMLDK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24903 # 7odcA.94.212 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 94 :INAQKMVES 7odcA 213 :SDARCVFDM Number of specific fragments extracted= 1 number of extra gaps= 0 total=24904 # 1f1mA.94.67 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 94 :INAQKMVES 1f1mA 105 :TLITKKISA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24905 # 1jyaA.94.107 read from T0532.t2k.many.frag # found chain 1jyaA in training set T0532 94 :INAQKMVES 1jyaA 108 :EMLVQGAER Number of specific fragments extracted= 1 number of extra gaps= 0 total=24906 # 1tn6B.94.52 read from T0532.t2k.many.frag # found chain 1tn6B in training set T0532 94 :INAQKMVES 1tn6B 553 :EKIQEVFSS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24907 1z8uA expands to /projects/compbio/data/pdb/1z8u.pdb.gz 1z8uA:# 1z8uA.94.15 read from T0532.t2k.many.frag # adding 1z8uA to template set # found chain 1z8uA in template set T0532 94 :INAQKMVES 1z8uA 16 :KEFSVLLNQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24908 # 2b4vA.94.99 read from T0532.t2k.many.frag # found chain 2b4vA in template set T0532 94 :INAQKMVES 2b4vA 119 :DKLRTVIKR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24909 # 1muwA.94.71 read from T0532.t2k.many.frag # found chain 1muwA in training set T0532 94 :INAQKMVES 1muwA 72 :KRFRQALDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24910 # 2a1rA.95.13 read from T0532.t2k.many.frag # found chain 2a1rA in template set T0532 95 :NAQKMVESV 2a1rA 14 :KVYQAIEEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24911 # 1zgmA.95.115 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 95 :NAQKMVESV 1zgmA 104 :DANDVLDEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24912 # 2fbwB.95.236 read from T0532.t2k.many.frag # found chain 2fbwB in template set T0532 95 :NAQKMVESV 2fbwB 237 :EIKKMMATY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24913 # 1vkmA.95.47 read from T0532.t2k.many.frag # found chain 1vkmA in template set T0532 95 :NAQKMVESV 1vkmA 36 :RAKEISREK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24914 # 1f1mA.95.68 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 95 :NAQKMVESV 1f1mA 106 :LITKKISAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=24915 # 1h99A.95.81 read from T0532.t2k.many.frag # found chain 1h99A in training set T0532 95 :NAQKMVESV 1h99A 135 :EALVMVKNK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24916 # 2bjfA.95.117 read from T0532.t2k.many.frag # found chain 2bjfA in template set T0532 95 :NAQKMVESV 2bjfA 118 :EVKEALKNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24917 # 1ah7.95.19 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 95 :NAQKMVESV 1ah7 20 :RAIDIMSRN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24918 # 2akaA.95.336 read from T0532.t2k.many.frag # found chain 2akaA in template set Warning: unaligning (T0532)V103 (2akaA)V334 because G (3-10) conformation "forbidden" or filtered. T0532 95 :NAQKMVES 2akaA 326 :ITRQAMDI Number of specific fragments extracted= 1 number of extra gaps= 1 total=24919 # 2a2cA.95.360 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 95 :NAQKMVESV 2a2cA 341 :RVLQFKKIC Number of specific fragments extracted= 1 number of extra gaps= 0 total=24920 # 2gmfA.95.20 read from T0532.t2k.many.frag # found chain 2gmfA in template set T0532 95 :NAQKMVESV 2gmfA 21 :EARRLLNLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24921 # 1a41.95.16 read from T0532.t2k.many.frag # found chain 1a41 in template set T0532 95 :NAQKMVESV 1a41 97 :RINCFINKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24922 # 1ntvA.95.133 read from T0532.t2k.many.frag # found chain 1ntvA in training set T0532 95 :NAQKMVESV 1ntvA 156 :DLFQLIYEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24923 # 2b1eA.95.192 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 95 :NAQKMVESV 2b1eA 252 :NEKSLVDDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24924 # 1ix9A.95.36 read from T0532.t2k.many.frag # found chain 1ix9A in training set Warning: unaligning (T0532)V100 (1ix9A)L42 because G (3-10) conformation "forbidden" or filtered. T0532 95 :NAQKM 1ix9A 37 :NANAA T0532 101 :ESV 1ix9A 43 :ESL Number of specific fragments extracted= 2 number of extra gaps= 1 total=24926 1m2oA expands to /projects/compbio/data/pdb/1m2o.pdb.gz 1m2oA:# 1m2oA.95.236 read from T0532.t2k.many.frag # adding 1m2oA to template set # found chain 1m2oA in template set Warning: unaligning (T0532)S102 (1m2oA)N244 because G (3-10) conformation "forbidden" or filtered. T0532 95 :NAQKMVE 1m2oA 237 :KLNQLLE T0532 103 :V 1m2oA 245 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=24928 # 2d2mC.95.72 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 95 :NAQKMVESV 2d2mC 73 :GLDVAINML Number of specific fragments extracted= 1 number of extra gaps= 0 total=24929 # 1z8uA.95.16 read from T0532.t2k.many.frag # found chain 1z8uA in template set T0532 95 :NAQKMVESV 1z8uA 17 :EFSVLLNQQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24930 # 1qj4A.95.59 read from T0532.t2k.many.frag # found chain 1qj4A in training set T0532 95 :NAQKMVESV 1qj4A 60 :PLLTFLEAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24931 # 1mw9X.95.94 read from T0532.t2k.many.frag # found chain 1mw9X in training set T0532 95 :NAQKMVESV 1mw9X 95 :ELKQLAEKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24932 # 2b4vA.95.100 read from T0532.t2k.many.frag # found chain 2b4vA in template set T0532 95 :NAQKMVESV 2b4vA 120 :KLRTVIKRY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24933 # 1mswD.95.83 read from T0532.t2k.many.frag # found chain 1mswD in template set T0532 95 :NAQKMVESV 1mswD 84 :RINDWFEEV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24934 # 1msk.95.82 read from T0532.t2k.many.frag # found chain 1msk in training set T0532 95 :NAQKMVESV 1msk 979 :DANDMLDKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24935 # 7odcA.95.213 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 95 :NAQKMVESV 7odcA 214 :DARCVFDMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24936 # 1r6fA.95.77 read from T0532.t2k.many.frag # found chain 1r6fA in template set T0532 95 :NAQKMVESV 1r6fA 100 :RVKEFLESS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24937 # 1z5oA.95.137 read from T0532.t2k.many.frag # found chain 1z5oA in template set T0532 95 :NAQKMVESV 1z5oA 128 :AAEACIAEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24938 # 1tn6B.95.53 read from T0532.t2k.many.frag # found chain 1tn6B in training set T0532 95 :NAQKMVESV 1tn6B 554 :KIQEVFSSY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24939 # 1qg8A.95.78 read from T0532.t2k.many.frag # found chain 1qg8A in training set T0532 95 :NAQKMVESV 1qg8A 80 :LINQAIEMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24940 # 1hz4A.95.117 read from T0532.t2k.many.frag # found chain 1hz4A in training set T0532 95 :NAQKMVESV 1hz4A 116 :KAFQLINEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=24941 # 1r5yA.95.180 read from T0532.t2k.many.frag # found chain 1r5yA in training set T0532 95 :NAQKMVESV 1r5yA 181 :RSRDAFDSR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24942 # 2fbwB.96.237 read from T0532.t2k.many.frag # found chain 2fbwB in template set Warning: unaligning (T0532)S104 because last residue in template chain is (2fbwB)K246 T0532 96 :AQKMVESV 2fbwB 238 :IKKMMATY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24943 # 1qj4A.96.60 read from T0532.t2k.many.frag # found chain 1qj4A in training set T0532 96 :AQKMVESVS 1qj4A 61 :LLTFLEALP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24944 # 1zgmA.96.116 read from T0532.t2k.many.frag # found chain 1zgmA in template set T0532 96 :AQKMVESVS 1zgmA 105 :ANDVLDELT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24945 # 1mw9X.96.95 read from T0532.t2k.many.frag # found chain 1mw9X in training set T0532 96 :AQKMVESVS 1mw9X 96 :LKQLAEKAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24946 # 1ah7.96.20 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 96 :AQKMVESVS 1ah7 21 :AIDIMSRNT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24947 # 2a2cA.96.361 read from T0532.t2k.many.frag # found chain 2a2cA in template set T0532 96 :AQKMVESVS 2a2cA 342 :VLQFKKICE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24948 # 2a1rA.96.14 read from T0532.t2k.many.frag # found chain 2a1rA in template set T0532 96 :AQKMVESVS 2a1rA 15 :VYQAIEEAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24949 # 1z8uA.96.17 read from T0532.t2k.many.frag # found chain 1z8uA in template set T0532 96 :AQKMVESVS 1z8uA 18 :FSVLLNQQV Number of specific fragments extracted= 1 number of extra gaps= 0 total=24950 1xqwA expands to /projects/compbio/data/pdb/1xqw.pdb.gz 1xqwA:# 1xqwA.96.140 read from T0532.t2k.many.frag # adding 1xqwA to template set # found chain 1xqwA in template set Warning: unaligning (T0532)S104 (1xqwA)P149 because P (beta_P) conformation "forbidden" or filtered. T0532 96 :AQKMVESV 1xqwA 141 :MNRLIDEL Number of specific fragments extracted= 1 number of extra gaps= 1 total=24951 # 1r6fA.96.78 read from T0532.t2k.many.frag # found chain 1r6fA in template set T0532 96 :AQKMVESVS 1r6fA 101 :VKEFLESSP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24952 # 1m2oA.96.237 read from T0532.t2k.many.frag # found chain 1m2oA in template set T0532 96 :AQKMVESVS 1m2oA 238 :LNQLLENLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24953 1ib2A expands to /projects/compbio/data/pdb/1ib2.pdb.gz 1ib2A:# 1ib2A.96.38 read from T0532.t2k.many.frag # adding 1ib2A to template set # found chain 1ib2A in template set T0532 96 :AQKMVESVS 1ib2A 866 :IQLKLERAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24954 # 1hz4A.96.118 read from T0532.t2k.many.frag # found chain 1hz4A in training set Warning: unaligning (T0532)V103 (1hz4A)Q124 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S104 (1hz4A)H125 because L (left) conformation "forbidden" or filtered. T0532 96 :AQKMVES 1hz4A 117 :AFQLINE Number of specific fragments extracted= 1 number of extra gaps= 1 total=24955 # 1ra0A.96.91 read from T0532.t2k.many.frag # found chain 1ra0A in training set T0532 96 :AQKMVESVS 1ra0A 88 :WAERKALLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24956 # 1sz9A.96.11 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 96 :AQKMVESVS 1sz9A 12 :FNSILEELT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24957 # 2b1eA.96.193 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 96 :AQKMVESVS 2b1eA 253 :EKSLVDDLY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24958 # 1jyaA.96.109 read from T0532.t2k.many.frag # found chain 1jyaA in training set Warning: unaligning (T0532)S104 because last residue in template chain is (1jyaA)Q118 T0532 96 :AQKMVESV 1jyaA 110 :LVQGAERL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24959 # 1f1mA.96.69 read from T0532.t2k.many.frag # found chain 1f1mA in training set T0532 96 :AQKMVESVS 1f1mA 107 :ITKKISAIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24960 # 1g60A.96.11 read from T0532.t2k.many.frag # found chain 1g60A in training set T0532 96 :AQKMVESVS 1g60A 12 :CFDFLDQVE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24961 # 2f22A.96.13 read from T0532.t2k.many.frag # found chain 2f22A in template set T0532 96 :AQKMVESVS 2f22A 13 :TNALAKEIP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24962 # 1kxu.96.73 read from T0532.t2k.many.frag # found chain 1kxu in template set T0532 96 :AQKMVESVS 1kxu 64 :LLEFCSVFK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24963 # 1qg8A.96.79 read from T0532.t2k.many.frag # found chain 1qg8A in training set T0532 96 :AQKMVESVS 1qg8A 81 :INQAIEMAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=24964 2bbrA expands to /projects/compbio/data/pdb/2bbr.pdb.gz 2bbrA:# 2bbrA.96.12 read from T0532.t2k.many.frag # adding 2bbrA to template set # found chain 2bbrA in template set T0532 96 :AQKMVESVS 2bbrA 13 :LRHLLEELD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24965 # 1t98A.96.138 read from T0532.t2k.many.frag # found chain 1t98A in template set T0532 96 :AQKMVESVS 1t98A 139 :AADAAEEGG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24966 # 1dg9A.96.98 read from T0532.t2k.many.frag # found chain 1dg9A in template set T0532 96 :AQKMVESVS 1dg9A 99 :LNRKSNQVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=24967 # 1xkpA.96.55 read from T0532.t2k.many.frag # found chain 1xkpA in training set Warning: unaligning (T0532)E101 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xkpA)V94 Warning: unaligning (T0532)V103 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xkpA)V94 T0532 96 :AQKMV 1xkpA 87 :VNQYL T0532 104 :S 1xkpA 95 :P Number of specific fragments extracted= 2 number of extra gaps= 0 total=24969 Number of alignments=1347 1ogdA expands to /projects/compbio/data/pdb/1ogd.pdb.gz 1ogdA:# 1ogdA.96.10 read from T0532.t2k.many.frag # adding 1ogdA to template set # found chain 1ogdA in template set T0532 96 :AQKMVESVS 1ogdA 11 :LAKILADLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24970 # 2d2mC.96.73 read from T0532.t2k.many.frag # found chain 2d2mC in template set T0532 96 :AQKMVESVS 2d2mC 74 :LDVAINMLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=24971 # 7odcA.96.214 read from T0532.t2k.many.frag # found chain 7odcA in training set T0532 96 :AQKMVESVS 7odcA 215 :ARCVFDMAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24972 # 1ix9A.96.37 read from T0532.t2k.many.frag # found chain 1ix9A in training set T0532 96 :AQKMVESVS 1ix9A 38 :ANAALESLP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24973 # 1qj4A.97.61 read from T0532.t2k.many.frag # found chain 1qj4A in training set Warning: unaligning (T0532)D105 (1qj4A)P70 because P (beta_P) conformation "forbidden" or filtered. T0532 97 :QKMVESVS 1qj4A 62 :LTFLEALP Number of specific fragments extracted= 1 number of extra gaps= 1 total=24974 # 2fbwB.97.238 read from T0532.t2k.many.frag # found chain 2fbwB in template set Warning: unaligning (T0532)S104 because last residue in template chain is (2fbwB)K246 T0532 97 :QKMVESV 2fbwB 239 :KKMMATY Number of specific fragments extracted= 1 number of extra gaps= 0 total=24975 # 1ah7.97.21 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 97 :QKMVESVSD 1ah7 22 :IDIMSRNTT Number of specific fragments extracted= 1 number of extra gaps= 0 total=24976 # 1xqwA.97.141 read from T0532.t2k.many.frag # found chain 1xqwA in template set T0532 97 :QKMVESVSD 1xqwA 142 :NRLIDELPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24977 # 1ib2A.97.39 read from T0532.t2k.many.frag # found chain 1ib2A in template set T0532 97 :QKMVESVSD 1ib2A 867 :QLKLERATP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24978 # 1ra0A.97.92 read from T0532.t2k.many.frag # found chain 1ra0A in training set Warning: unaligning (T0532)S102 (1ra0A)L94 because G (3-10) conformation "forbidden" or filtered. T0532 97 :QKMVE 1ra0A 89 :AERKA T0532 103 :VSD 1ra0A 95 :LTH Number of specific fragments extracted= 2 number of extra gaps= 1 total=24980 # 1ogdA.97.11 read from T0532.t2k.many.frag # found chain 1ogdA in template set T0532 97 :QKMVESVSD 1ogdA 12 :AKILADLGH Number of specific fragments extracted= 1 number of extra gaps= 0 total=24981 # 1mw9X.97.96 read from T0532.t2k.many.frag # found chain 1mw9X in training set T0532 97 :QKMVESVSD 1mw9X 97 :KQLAEKADH Number of specific fragments extracted= 1 number of extra gaps= 0 total=24982 # 2f22A.97.14 read from T0532.t2k.many.frag # found chain 2f22A in template set Warning: unaligning (T0532)S104 (2f22A)P21 because P (beta_P) conformation "forbidden" or filtered. T0532 97 :QKMVESV 2f22A 14 :NALAKEI T0532 105 :D 2f22A 22 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=24984 # 1g60A.97.12 read from T0532.t2k.many.frag # found chain 1g60A in training set Warning: unaligning (T0532)S102 (1g60A)Q18 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1g60A)N21 because P (beta_P) conformation "forbidden" or filtered. T0532 97 :QKMVE 1g60A 13 :FDFLD T0532 103 :VS 1g60A 19 :VE Number of specific fragments extracted= 2 number of extra gaps= 2 total=24986 # 1t98A.97.139 read from T0532.t2k.many.frag # found chain 1t98A in template set T0532 97 :QKMVESVSD 1t98A 140 :ADAAEEGGD Number of specific fragments extracted= 1 number of extra gaps= 0 total=24987 # 1qg8A.97.80 read from T0532.t2k.many.frag # found chain 1qg8A in training set Warning: unaligning (T0532)S102 (1qg8A)M87 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1qg8A)G90 because P (beta_P) conformation "forbidden" or filtered. T0532 97 :QKMVE 1qg8A 82 :NQAIE T0532 103 :VS 1qg8A 88 :AE Number of specific fragments extracted= 2 number of extra gaps= 2 total=24989 # 1m2oA.97.238 read from T0532.t2k.many.frag # found chain 1m2oA in template set T0532 97 :QKMVESVSD 1m2oA 239 :NQLLENLSP Number of specific fragments extracted= 1 number of extra gaps= 0 total=24990 2ex0A expands to /projects/compbio/data/pdb/2ex0.pdb.gz 2ex0A:# 2ex0A.97.67 read from T0532.t2k.many.frag # adding 2ex0A to template set # found chain 2ex0A in template set T0532 97 :QKMVESVSD 2ex0A 92 :FTILDQYPG Number of specific fragments extracted= 1 number of extra gaps= 0 total=24991 # 1jyaA.97.110 read from T0532.t2k.many.frag # found chain 1jyaA in training set Warning: unaligning (T0532)S104 because last residue in template chain is (1jyaA)Q118 T0532 97 :QKMVESV 1jyaA 111 :VQGAERL Number of specific fragments extracted= 1 number of extra gaps= 0 total=24992 # 1tf5A.97.240 read from T0532.t2k.many.frag # found chain 1tf5A in template set T0532 97 :QKMVESVSD 1tf5A 238 :NAFVRTLKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=24993 # 1kxu.97.74 read from T0532.t2k.many.frag # found chain 1kxu in template set Warning: unaligning (T0532)D105 (1kxu)P73 because C (cis) conformation "forbidden" or filtered. T0532 97 :QKMVESVS 1kxu 65 :LEFCSVFK Number of specific fragments extracted= 1 number of extra gaps= 1 total=24994 1hbkA expands to /projects/compbio/data/pdb/1hbk.pdb.gz 1hbkA:Skipped atom 33, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 34, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 35, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 36, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 64, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 65, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 66, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 67, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 68, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 177, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 178, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 179, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 180, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 505, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 506, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 507, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 508, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 634, because occupancy 0.500 <= existing 0.500 in 1hbkA Skipped atom 635, because occupancy 0.500 <= existing 0.500 in 1hbkA # 1hbkA.97.11 read from T0532.t2k.many.frag # adding 1hbkA to template set # found chain 1hbkA in template set T0532 97 :QKMVESVSD 1hbkA 9 :VSFINGLPR Number of specific fragments extracted= 1 number of extra gaps= 0 total=24995 # 2b1eA.97.194 read from T0532.t2k.many.frag # found chain 2b1eA in template set T0532 97 :QKMVESVSD 2b1eA 254 :KSLVDDLYS Number of specific fragments extracted= 1 number of extra gaps= 0 total=24996 # 1hz4A.97.119 read from T0532.t2k.many.frag # found chain 1hz4A in training set Warning: unaligning (T0532)S104 (1hz4A)H125 because L (left) conformation "forbidden" or filtered. T0532 97 :QKMVESV 1hz4A 118 :FQLINEQ T0532 105 :D 1hz4A 126 :L Number of specific fragments extracted= 2 number of extra gaps= 1 total=24998 2f6hX expands to /projects/compbio/data/pdb/2f6h.pdb.gz 2f6hX:# 2f6hX.97.81 read from T0532.t2k.many.frag # adding 2f6hX to template set # found chain 2f6hX in template set Warning: unaligning (T0532)S102 (2f6hX)Q108 because G (3-10) conformation "forbidden" or filtered. T0532 97 :QKMVE 2f6hX 103 :QKVVT T0532 103 :VSD 2f6hX 109 :LKG Number of specific fragments extracted= 2 number of extra gaps= 1 total=25000 # 1r6fA.97.79 read from T0532.t2k.many.frag # found chain 1r6fA in template set T0532 97 :QKMVESVSD 1r6fA 102 :KEFLESSPN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25001 # 1hekA.97.67 read from T0532.t2k.many.frag # found chain 1hekA in template set T0532 97 :QKMVESVSD 1hekA 61 :EDVTQTLSG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25002 # 2bbrA.97.13 read from T0532.t2k.many.frag # found chain 2bbrA in template set T0532 97 :QKMVESVSD 2bbrA 14 :RHLLEELDS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25003 # 1qkrA.97.27 read from T0532.t2k.many.frag # found chain 1qkrA in training set T0532 97 :QKMVESVSD 1qkrA 906 :HDEARKWSS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25004 # 2b8nA.97.116 read from T0532.t2k.many.frag # found chain 2b8nA in template set Warning: unaligning (T0532)E101 (2b8nA)D109 because P (beta_P) conformation "forbidden" or filtered. T0532 97 :QKMV 2b8nA 105 :LELV T0532 102 :SVSD 2b8nA 110 :QLNE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25006 # 1qmgA.97.298 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 97 :QKMVESVSD 1qmgA 370 :LALYNSLSE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25007 # 1xkpA.97.56 read from T0532.t2k.many.frag # found chain 1xkpA in training set Warning: unaligning (T0532)E101 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xkpA)V94 Warning: unaligning (T0532)V103 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xkpA)V94 Warning: unaligning (T0532)D105 because of BadResidue code BAD_PEPTIDE in next template residue (1xkpA)L97 T0532 97 :QKMV 1xkpA 88 :NQYL T0532 104 :S 1xkpA 95 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=25009 1wv2A expands to /projects/compbio/data/pdb/1wv2.pdb.gz 1wv2A:# 1wv2A.97.93 read from T0532.t2k.many.frag # adding 1wv2A to template set # found chain 1wv2A in template set Warning: unaligning (T0532)M99 (1wv2A)A1096 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S104 (1wv2A)D1101 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1wv2A)G1102 because L (left) conformation "forbidden" or filtered. T0532 97 :QK 1wv2A 1094 :RL T0532 100 :VESV 1wv2A 1097 :RELL Number of specific fragments extracted= 2 number of extra gaps= 2 total=25011 1guxA expands to /projects/compbio/data/pdb/1gux.pdb.gz 1guxA:# 1guxA.97.14 read from T0532.t2k.many.frag # adding 1guxA to template set # found chain 1guxA in template set T0532 97 :QKMVESVSD 1guxA 386 :MMILNSASD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25012 # 1qj4A.98.62 read from T0532.t2k.many.frag # found chain 1qj4A in training set Warning: unaligning (T0532)D106 (1qj4A)G71 because T (delta_L) conformation "forbidden" or filtered. T0532 98 :KMVESVSD 1qj4A 63 :TFLEALPP Number of specific fragments extracted= 1 number of extra gaps= 1 total=25013 # 1xqwA.98.142 read from T0532.t2k.many.frag # found chain 1xqwA in template set T0532 98 :KMVESVSDD 1xqwA 143 :RLIDELPAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25014 # 1qmgA.98.299 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 98 :KMVESVSDD 1qmgA 371 :ALYNSLSEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25015 # 1ra0A.98.93 read from T0532.t2k.many.frag # found chain 1ra0A in training set T0532 98 :KMVESVSDD 1ra0A 90 :ERKALLTHD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25016 # 2f22A.98.15 read from T0532.t2k.many.frag # found chain 2f22A in template set Warning: unaligning (T0532)S104 (2f22A)P21 because P (beta_P) conformation "forbidden" or filtered. T0532 98 :KMVESV 2f22A 15 :ALAKEI T0532 105 :DD 2f22A 22 :ES Number of specific fragments extracted= 2 number of extra gaps= 1 total=25018 # 1ypyA.98.72 read from T0532.t2k.many.frag # found chain 1ypyA in training set T0532 98 :KMVESVSDD 1ypyA 74 :ETYSGLTPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25019 # 1ib2A.98.40 read from T0532.t2k.many.frag # found chain 1ib2A in template set T0532 98 :KMVESVSDD 1ib2A 868 :LKLERATPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25020 # 1ogdA.98.12 read from T0532.t2k.many.frag # found chain 1ogdA in template set Warning: unaligning (T0532)D106 (1ogdA)T21 because T (delta_L) conformation "forbidden" or filtered. T0532 98 :KMVESVSD 1ogdA 13 :KILADLGH Number of specific fragments extracted= 1 number of extra gaps= 1 total=25021 # 1kxu.98.75 read from T0532.t2k.many.frag # found chain 1kxu in template set Warning: unaligning (T0532)S102 (1kxu)V70 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1kxu)P73 because C (cis) conformation "forbidden" or filtered. T0532 98 :KMVE 1kxu 66 :EFCS T0532 103 :VS 1kxu 71 :FK T0532 106 :D 1kxu 74 :A Number of specific fragments extracted= 3 number of extra gaps= 2 total=25024 # 1ah7.98.22 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 98 :KMVESVSDD 1ah7 23 :DIMSRNTTL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25025 # 1hekA.98.68 read from T0532.t2k.many.frag # found chain 1hekA in template set Warning: unaligning (T0532)D105 (1hekA)G69 because P (beta_P) conformation "forbidden" or filtered. T0532 98 :KMVESVS 1hekA 62 :DVTQTLS T0532 106 :D 1hekA 70 :Q Number of specific fragments extracted= 2 number of extra gaps= 1 total=25027 1i7nA expands to /projects/compbio/data/pdb/1i7n.pdb.gz 1i7nA:# 1i7nA.98.122 read from T0532.t2k.many.frag # adding 1i7nA to template set # found chain 1i7nA in template set T0532 98 :KMVESVSDD 1i7nA 235 :AIFKTLGGE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25028 # 1jpzA.98.130 read from T0532.t2k.many.frag # found chain 1jpzA in training set Warning: unaligning (T0532)S102 (1jpzA)R132 because G (3-10) conformation "forbidden" or filtered. T0532 98 :KMVE 1jpzA 128 :QKWE T0532 103 :VSDD 1jpzA 133 :LNAD Number of specific fragments extracted= 2 number of extra gaps= 1 total=25030 # 2f6hX.98.82 read from T0532.t2k.many.frag # found chain 2f6hX in template set Warning: unaligning (T0532)D105 (2f6hX)G111 because S (epsilon) conformation "forbidden" or filtered. T0532 98 :KMVESVS 2f6hX 104 :KVVTQLK T0532 106 :D 2f6hX 112 :N Number of specific fragments extracted= 2 number of extra gaps= 1 total=25032 # 1g60A.98.13 read from T0532.t2k.many.frag # found chain 1g60A in training set Warning: unaligning (T0532)S104 (1g60A)E20 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1g60A)N21 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D106 (1g60A)K22 because L (left) conformation "forbidden" or filtered. T0532 98 :KMVESV 1g60A 14 :DFLDQV Number of specific fragments extracted= 1 number of extra gaps= 1 total=25033 # 1tf5A.98.241 read from T0532.t2k.many.frag # found chain 1tf5A in template set T0532 98 :KMVESVSDD 1tf5A 239 :AFVRTLKAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25034 # 2fbwB.98.239 read from T0532.t2k.many.frag # found chain 2fbwB in template set Warning: unaligning (T0532)S102 (2fbwB)T244 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S104 because last residue in template chain is (2fbwB)K246 T0532 98 :KMVE 2fbwB 240 :KMMA T0532 103 :V 2fbwB 245 :Y Number of specific fragments extracted= 2 number of extra gaps= 1 total=25036 # 1t98A.98.140 read from T0532.t2k.many.frag # found chain 1t98A in template set T0532 98 :KMVESVSDD 1t98A 141 :DAAEEGGDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25037 1floA expands to /projects/compbio/data/pdb/1flo.pdb.gz 1floA:# 1floA.98.19 read from T0532.t2k.many.frag # adding 1floA to template set # found chain 1floA in template set Warning: unaligning (T0532)V100 (1floA)F23 because G (3-10) conformation "forbidden" or filtered. T0532 98 :KM 1floA 21 :ER T0532 101 :ESVSDD 1floA 24 :ERPSGE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25039 # 1xkpA.98.57 read from T0532.t2k.many.frag # found chain 1xkpA in training set Warning: unaligning (T0532)E101 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1xkpA)V94 Warning: unaligning (T0532)V103 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1xkpA)V94 Warning: unaligning (T0532)D105 because of BadResidue code BAD_PEPTIDE in next template residue (1xkpA)L97 Warning: unaligning (T0532)D106 because of BadResidue code BAD_PEPTIDE at template residue (1xkpA)L97 T0532 98 :KMV 1xkpA 89 :QYL T0532 104 :S 1xkpA 95 :P Number of specific fragments extracted= 2 number of extra gaps= 1 total=25041 1s4bP expands to /projects/compbio/data/pdb/1s4b.pdb.gz 1s4bP:# 1s4bP.98.108 read from T0532.t2k.many.frag # adding 1s4bP to template set # found chain 1s4bP in template set T0532 98 :KMVESVSDD 1s4bP 124 :WLQEKVQKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25042 # 1jyaA.98.111 read from T0532.t2k.many.frag # found chain 1jyaA in training set Warning: unaligning (T0532)S104 because last residue in template chain is (1jyaA)Q118 T0532 98 :KMVESV 1jyaA 112 :QGAERL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25043 # 2b1eA.98.195 read from T0532.t2k.many.frag # found chain 2b1eA in template set Warning: unaligning (T0532)D105 (2b1eA)S262 because P (beta_P) conformation "forbidden" or filtered. T0532 98 :KMVESVS 2b1eA 255 :SLVDDLY T0532 106 :D 2b1eA 263 :Q Number of specific fragments extracted= 2 number of extra gaps= 1 total=25045 # 1r6fA.98.80 read from T0532.t2k.many.frag # found chain 1r6fA in template set T0532 98 :KMVESVSDD 1r6fA 103 :EFLESSPNT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25046 # 1wv2A.98.94 read from T0532.t2k.many.frag # found chain 1wv2A in template set Warning: unaligning (T0532)S104 (1wv2A)D1101 because L (left) conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1wv2A)G1102 because L (left) conformation "forbidden" or filtered. T0532 98 :KMVESV 1wv2A 1095 :LARELL T0532 106 :D 1wv2A 1103 :H Number of specific fragments extracted= 2 number of extra gaps= 1 total=25048 1aep expands to /projects/compbio/data/pdb/1aep.pdb.gz 1aep:Warning: there is no chain 1aep will retry with 1aepA # 1aep.98.60 read from T0532.t2k.many.frag # adding 1aep to template set # found chain 1aep in template set Warning: unaligning (T0532)D105 (1aep)G68 because S (epsilon) conformation "forbidden" or filtered. T0532 98 :KMVESVS 1aep 61 :QEAEKHQ T0532 106 :D 1aep 69 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=25050 # 2bbrA.98.14 read from T0532.t2k.many.frag # found chain 2bbrA in template set T0532 98 :KMVESVSDD 2bbrA 15 :HLLEELDSH Number of specific fragments extracted= 1 number of extra gaps= 0 total=25051 # 1qkrA.98.28 read from T0532.t2k.many.frag # found chain 1qkrA in training set T0532 98 :KMVESVSDD 1qkrA 907 :DEARKWSSK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25052 # 1hq1A.98.5 read from T0532.t2k.many.frag # found chain 1hq1A in training set Warning: unaligning (T0532)S104 because of BadResidue code BAD_PEPTIDE in next template residue (1hq1A)Q13 Warning: unaligning (T0532)D105 because of BadResidue code BAD_PEPTIDE at template residue (1hq1A)Q13 T0532 98 :KMVESV 1hq1A 6 :DFLEQL Number of specific fragments extracted= 1 number of extra gaps= 1 total=25053 # 1pprM.98.108 read from T0532.t2k.many.frag # found chain 1pprM in template set T0532 98 :KMVESVSDD 1pprM 109 :DSVSKITDP Number of specific fragments extracted= 1 number of extra gaps= 0 total=25054 # 1qmgA.99.300 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 99 :MVESVSDDN 1qmgA 372 :LYNSLSEEG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25055 # 1qj4A.99.63 read from T0532.t2k.many.frag # found chain 1qj4A in training set Warning: unaligning (T0532)D106 (1qj4A)G71 because T (delta_L) conformation "forbidden" or filtered. T0532 99 :MVESVSD 1qj4A 64 :FLEALPP T0532 107 :N 1qj4A 72 :E Number of specific fragments extracted= 2 number of extra gaps= 1 total=25057 # 1ypyA.99.73 read from T0532.t2k.many.frag # found chain 1ypyA in training set T0532 99 :MVESVSDDN 1ypyA 75 :TYSGLTPEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25058 # 1ra0A.99.94 read from T0532.t2k.many.frag # found chain 1ra0A in training set T0532 99 :MVESVSDDN 1ra0A 91 :RKALLTHDD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25059 # 1xqwA.99.143 read from T0532.t2k.many.frag # found chain 1xqwA in template set T0532 99 :MVESVSDDN 1xqwA 144 :LIDELPAKY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25060 # 1ib2A.99.41 read from T0532.t2k.many.frag # found chain 1ib2A in template set T0532 99 :MVESVSDDN 1ib2A 869 :KLERATPAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25061 # 2f22A.99.16 read from T0532.t2k.many.frag # found chain 2f22A in template set T0532 99 :MVESVSDDN 2f22A 16 :LAKEIPESK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25062 # 1hekA.99.69 read from T0532.t2k.many.frag # found chain 1hekA in template set T0532 99 :MVESVSDDN 1hekA 63 :VTQTLSGQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25063 # 1s4bP.99.109 read from T0532.t2k.many.frag # found chain 1s4bP in template set Warning: unaligning (T0532)D106 (1s4bP)D132 because L (left) conformation "forbidden" or filtered. T0532 99 :MVESVSD 1s4bP 125 :LQEKVQK T0532 107 :N 1s4bP 133 :S Number of specific fragments extracted= 2 number of extra gaps= 1 total=25065 # 1aep.99.61 read from T0532.t2k.many.frag # found chain 1aep in template set Warning: unaligning (T0532)S102 (1aep)K65 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1aep)G68 because S (epsilon) conformation "forbidden" or filtered. T0532 99 :MVE 1aep 62 :EAE T0532 103 :VS 1aep 66 :HQ T0532 106 :DN 1aep 69 :SV Number of specific fragments extracted= 3 number of extra gaps= 2 total=25068 1eswA expands to /projects/compbio/data/pdb/1esw.pdb.gz 1eswA:# 1eswA.99.114 read from T0532.t2k.many.frag # adding 1eswA to template set # found chain 1eswA in template set T0532 99 :MVESVSDDN 1eswA 115 :FKEKASPEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25069 # 1owlA.99.263 read from T0532.t2k.many.frag # found chain 1owlA in training set T0532 99 :MVESVSDDN 1owlA 264 :AHALSRSDE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25070 # 1pprM.99.109 read from T0532.t2k.many.frag # found chain 1pprM in template set Warning: unaligning (T0532)N107 (1pprM)K118 because G (3-10) conformation "forbidden" or filtered. T0532 99 :MVESVSDD 1pprM 110 :SVSKITDP Number of specific fragments extracted= 1 number of extra gaps= 1 total=25071 # 1i7nA.99.123 read from T0532.t2k.many.frag # found chain 1i7nA in template set Warning: unaligning (T0532)S104 (1i7nA)G241 because S (epsilon) conformation "forbidden" or filtered. T0532 99 :MVESV 1i7nA 236 :IFKTL T0532 105 :DDN 1i7nA 242 :GEK Number of specific fragments extracted= 2 number of extra gaps= 1 total=25073 1r5iD expands to /projects/compbio/data/pdb/1r5i.pdb.gz 1r5iD:# 1r5iD.99.34 read from T0532.t2k.many.frag # adding 1r5iD to template set # found chain 1r5iD in template set Warning: unaligning (T0532)D105 (1r5iD)K38 because P (beta_P) conformation "forbidden" or filtered. T0532 99 :MVESVS 1r5iD 32 :IYNLSN T0532 106 :DN 1r5iD 39 :EE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25075 # 1floA.99.20 read from T0532.t2k.many.frag # found chain 1floA in template set T0532 99 :MVESVSDDN 1floA 22 :RFERPSGEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25076 # 2f6hX.99.83 read from T0532.t2k.many.frag # found chain 2f6hX in template set Warning: unaligning (T0532)S104 (2f6hX)K110 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (2f6hX)G111 because S (epsilon) conformation "forbidden" or filtered. T0532 99 :MVESV 2f6hX 105 :VVTQL T0532 106 :DN 2f6hX 112 :ND Number of specific fragments extracted= 2 number of extra gaps= 1 total=25078 # 1ogdA.99.13 read from T0532.t2k.many.frag # found chain 1ogdA in template set Warning: unaligning (T0532)S102 (1ogdA)D17 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)D106 (1ogdA)T21 because T (delta_L) conformation "forbidden" or filtered. T0532 99 :MVE 1ogdA 14 :ILA T0532 103 :VSD 1ogdA 18 :LGH T0532 107 :N 1ogdA 22 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=25081 # 1w6kA.99.302 read from T0532.t2k.many.frag # found chain 1w6kA in template set T0532 99 :MVESVSDDN 1w6kA 303 :YEHHHSAHL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25082 1b79A expands to /projects/compbio/data/pdb/1b79.pdb.gz 1b79A:# 1b79A.99.40 read from T0532.t2k.many.frag # adding 1b79A to template set # found chain 1b79A in template set T0532 99 :MVESVSDDN 1b79A 50 :VAERVVADD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25083 # 1ah7.99.23 read from T0532.t2k.many.frag # found chain 1ah7 in training set T0532 99 :MVESVSDDN 1ah7 24 :IMSRNTTLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25084 # 1gk9A.99.80 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 99 :MVESVSDDN 1gk9A 81 :QIAALSPED Number of specific fragments extracted= 1 number of extra gaps= 0 total=25085 # 1jpzA.99.131 read from T0532.t2k.many.frag # found chain 1jpzA in training set Warning: unaligning (T0532)S102 (1jpzA)R132 because G (3-10) conformation "forbidden" or filtered. T0532 99 :MVE 1jpzA 129 :KWE T0532 103 :VSDDN 1jpzA 133 :LNADE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25087 # 1sz9A.99.92 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 99 :MVESVSDDN 1sz9A 93 :TYLLVDNTT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25088 1yqyA expands to /projects/compbio/data/pdb/1yqy.pdb.gz 1yqyA:# 1yqyA.99.49 read from T0532.t2k.many.frag # adding 1yqyA to template set # found chain 1yqyA in template set T0532 99 :MVESVSDDN 1yqyA 307 :IIHSLSQEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25089 1ifqA expands to /projects/compbio/data/pdb/1ifq.pdb.gz 1ifqA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1ifqA.99.50 read from T0532.t2k.many.frag # adding 1ifqA to template set # found chain 1ifqA in template set T0532 99 :MVESVSDDN 1ifqA 40 :LFRKLNEQS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25090 # 1hbkA.99.13 read from T0532.t2k.many.frag # found chain 1hbkA in template set Warning: unaligning (T0532)S104 (1hbkA)P16 because P (beta_P) conformation "forbidden" or filtered. T0532 99 :MVESV 1hbkA 11 :FINGL T0532 105 :DDN 1hbkA 17 :RTI Number of specific fragments extracted= 2 number of extra gaps= 1 total=25092 # 1kxu.99.76 read from T0532.t2k.many.frag # found chain 1kxu in template set Warning: unaligning (T0532)D105 (1kxu)P73 because C (cis) conformation "forbidden" or filtered. T0532 99 :MVESVS 1kxu 67 :FCSVFK T0532 106 :DN 1kxu 74 :AM Number of specific fragments extracted= 2 number of extra gaps= 1 total=25094 # 1t98A.99.141 read from T0532.t2k.many.frag # found chain 1t98A in template set Warning: unaligning (T0532)S102 (1t98A)E145 because G (3-10) conformation "forbidden" or filtered. T0532 99 :MVE 1t98A 142 :AAE T0532 103 :VSDDN 1t98A 146 :GGDEF Number of specific fragments extracted= 2 number of extra gaps= 1 total=25096 1scfA expands to /projects/compbio/data/pdb/1scf.pdb.gz 1scfA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1scfA.99.42 read from T0532.t2k.many.frag # adding 1scfA to template set # found chain 1scfA in template set Warning: unaligning (T0532)N107 (1scfA)Y26 because P (beta_P) conformation "forbidden" or filtered. T0532 99 :MVESVSDD 1scfA 18 :LVANLPKD Number of specific fragments extracted= 1 number of extra gaps= 1 total=25097 # 1qmgA.100.301 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 100 :VESVSDDNV 1qmgA 373 :YNSLSEEGK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25098 # 1ypyA.100.74 read from T0532.t2k.many.frag # found chain 1ypyA in training set T0532 100 :VESVSDDNV 1ypyA 76 :YSGLTPEQK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25099 # 1owlA.100.264 read from T0532.t2k.many.frag # found chain 1owlA in training set T0532 100 :VESVSDDNV 1owlA 265 :HALSRSDEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25100 # 1xqwA.100.144 read from T0532.t2k.many.frag # found chain 1xqwA in template set T0532 100 :VESVSDDNV 1xqwA 145 :IDELPAKYR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25101 # 1ib2A.100.42 read from T0532.t2k.many.frag # found chain 1ib2A in template set T0532 100 :VESVSDDNV 1ib2A 870 :LERATPAER Number of specific fragments extracted= 1 number of extra gaps= 0 total=25102 # 1ra0A.100.95 read from T0532.t2k.many.frag # found chain 1ra0A in training set T0532 100 :VESVSDDNV 1ra0A 92 :KALLTHDDV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25103 # 1qj4A.100.64 read from T0532.t2k.many.frag # found chain 1qj4A in training set Warning: unaligning (T0532)S104 (1qj4A)P69 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)D106 (1qj4A)G71 because T (delta_L) conformation "forbidden" or filtered. T0532 100 :VESV 1qj4A 65 :LEAL T0532 105 :D 1qj4A 70 :P T0532 107 :NV 1qj4A 72 :EK Number of specific fragments extracted= 3 number of extra gaps= 2 total=25106 # 1hekA.100.70 read from T0532.t2k.many.frag # found chain 1hekA in template set T0532 100 :VESVSDDNV 1hekA 64 :TQTLSGQER Number of specific fragments extracted= 1 number of extra gaps= 0 total=25107 # 1s4bP.100.110 read from T0532.t2k.many.frag # found chain 1s4bP in template set T0532 100 :VESVSDDNV 1s4bP 126 :QEKVQKDSL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25108 # 2f22A.100.17 read from T0532.t2k.many.frag # found chain 2f22A in template set T0532 100 :VESVSDDNV 2f22A 17 :AKEIPESKW Number of specific fragments extracted= 1 number of extra gaps= 0 total=25109 # 1aep.100.62 read from T0532.t2k.many.frag # found chain 1aep in template set Warning: unaligning (T0532)D105 (1aep)G68 because S (epsilon) conformation "forbidden" or filtered. T0532 100 :VESVS 1aep 63 :AEKHQ T0532 106 :DNV 1aep 69 :SVA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25111 # 1eswA.100.115 read from T0532.t2k.many.frag # found chain 1eswA in template set T0532 100 :VESVSDDNV 1eswA 116 :KEKASPEER Number of specific fragments extracted= 1 number of extra gaps= 0 total=25112 # 1r5iD.100.35 read from T0532.t2k.many.frag # found chain 1r5iD in template set T0532 100 :VESVSDDNV 1r5iD 33 :YNLSNKEET Number of specific fragments extracted= 1 number of extra gaps= 0 total=25113 # 1b79A.100.41 read from T0532.t2k.many.frag # found chain 1b79A in template set T0532 100 :VESVSDDNV 1b79A 51 :AERVVADDF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25114 1u20A expands to /projects/compbio/data/pdb/1u20.pdb.gz 1u20A:Skipped atom 36, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 38, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 40, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 42, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 44, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 46, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 48, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 1153, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 1155, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 1157, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 1159, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 1161, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 1163, because occupancy 0.500 <= existing 0.500 in 1u20A Skipped atom 1165, because occupancy 0.500 <= existing 0.500 in 1u20A # 1u20A.100.191 read from T0532.t2k.many.frag # adding 1u20A to template set # found chain 1u20A in template set Warning: unaligning (T0532)E101 (1u20A)K193 because L (left) conformation "forbidden" or filtered. T0532 100 :V 1u20A 192 :L T0532 102 :SVSDDNV 1u20A 194 :LLREDQI Number of specific fragments extracted= 2 number of extra gaps= 1 total=25116 # 1dj8A.100.20 read from T0532.t2k.many.frag # found chain 1dj8A in template set T0532 100 :VESVSDDNV 1dj8A 21 :FLAVDESFQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25117 # 1gk9A.100.81 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 100 :VESVSDDNV 1gk9A 82 :IAALSPEDM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25118 # 1pprM.100.110 read from T0532.t2k.many.frag # found chain 1pprM in template set T0532 100 :VESVSDDNV 1pprM 111 :VSKITDPKV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25119 # 1sz9A.100.93 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 100 :VESVSDDNV 1sz9A 94 :YLLVDNTTR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25120 # 1floA.100.21 read from T0532.t2k.many.frag # found chain 1floA in template set Warning: unaligning (T0532)V100 (1floA)F23 because G (3-10) conformation "forbidden" or filtered. T0532 101 :ESVSDDNV 1floA 24 :ERPSGEKI Number of specific fragments extracted= 1 number of extra gaps= 1 total=25121 # 2f6hX.100.84 read from T0532.t2k.many.frag # found chain 2f6hX in template set Warning: unaligning (T0532)D105 (2f6hX)G111 because S (epsilon) conformation "forbidden" or filtered. T0532 100 :VESVS 2f6hX 106 :VTQLK T0532 106 :DNV 2f6hX 112 :NDL Number of specific fragments extracted= 2 number of extra gaps= 1 total=25123 # 1w6kA.100.303 read from T0532.t2k.many.frag # found chain 1w6kA in template set T0532 100 :VESVSDDNV 1w6kA 304 :EHHHSAHLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25124 1wa5C expands to /projects/compbio/data/pdb/1wa5.pdb.gz 1wa5C:# 1wa5C.100.128 read from T0532.t2k.many.frag # adding 1wa5C to template set # found chain 1wa5C in template set T0532 100 :VESVSDDNV 1wa5C 129 :ASRLSNDDM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25125 # 1yqyA.100.50 read from T0532.t2k.many.frag # found chain 1yqyA in template set T0532 100 :VESVSDDNV 1yqyA 308 :IHSLSQEEK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25126 1wuaA expands to /projects/compbio/data/pdb/1wua.pdb.gz 1wuaA:Skipped atom 16, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 18, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 20, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 22, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 24, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 26, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 28, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 186, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 188, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 190, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 192, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 194, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 196, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 198, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 200, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 202, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 687, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 689, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 691, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 693, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 695, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 697, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1082, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1084, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1086, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1088, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1090, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1092, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1094, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1096, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1098, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1701, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1703, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1705, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1707, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1709, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1711, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1713, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1715, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1749, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1751, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1753, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1755, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1757, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1759, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1761, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1763, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1765, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1888, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1890, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1892, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1894, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1896, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1898, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1900, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 1902, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2474, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2476, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2478, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2480, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2482, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2484, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2486, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2488, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2490, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2639, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2641, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2643, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2645, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2647, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2649, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2651, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2653, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2655, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2657, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2659, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2875, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2877, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2879, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2881, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2883, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2885, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2887, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 2889, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4237, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4239, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4241, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4243, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4245, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4247, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4249, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4251, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4253, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4377, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4379, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4381, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4383, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4385, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4387, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4389, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4391, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4393, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4616, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4618, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4620, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4622, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4624, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4626, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4628, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4630, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4660, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4662, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4664, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4666, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4668, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4670, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4672, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4674, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4694, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4696, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4698, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4700, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4702, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4704, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4882, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4884, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4886, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4888, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4890, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4892, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4894, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 4896, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 5492, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 5494, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 5496, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 5498, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 5500, because occupancy 0.500 <= existing 0.500 in 1wuaA Skipped atom 5502, because occupancy 0.500 <= existing 0.500 in 1wuaA # 1wuaA.100.281 read from T0532.t2k.many.frag # adding 1wuaA to template set # found chain 1wuaA in template set Warning: unaligning (T0532)S104 (1wuaA)D286 because P (beta_P) conformation "forbidden" or filtered. T0532 100 :VESV 1wuaA 282 :IMKC T0532 105 :DDNV 1wuaA 287 :IDIR Number of specific fragments extracted= 2 number of extra gaps= 1 total=25128 # 2bk9A.100.72 read from T0532.t2k.many.frag # found chain 2bk9A in template set Warning: unaligning (T0532)D105 (2bk9A)Q78 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N107 (2bk9A)G80 because T (delta_L) conformation "forbidden" or filtered. T0532 100 :VESVS 2bk9A 73 :IQVLG T0532 106 :D 2bk9A 79 :D T0532 108 :V 2bk9A 81 :D Number of specific fragments extracted= 3 number of extra gaps= 2 total=25131 # 1i7nA.100.124 read from T0532.t2k.many.frag # found chain 1i7nA in template set T0532 100 :VESVSDDNV 1i7nA 237 :FKTLGGEKF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25132 1j2zA expands to /projects/compbio/data/pdb/1j2z.pdb.gz 1j2zA:# 1j2zA.100.198 read from T0532.t2k.many.frag # adding 1j2zA to template set # found chain 1j2zA in template set T0532 100 :VESVSDDNV 1j2zA 199 :RQLLESKDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25133 1v9mA expands to /projects/compbio/data/pdb/1v9m.pdb.gz 1v9mA:# 1v9mA.100.72 read from T0532.t2k.many.frag # adding 1v9mA to template set # found chain 1v9mA in template set T0532 100 :VESVSDDNV 1v9mA 73 :PRLVTGEAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25134 # 1ifqA.100.51 read from T0532.t2k.many.frag # found chain 1ifqA in template set Warning: unaligning (T0532)S104 (1ifqA)N45 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)N107 (1ifqA)S48 because P (beta_P) conformation "forbidden" or filtered. T0532 100 :VESV 1ifqA 41 :FRKL T0532 105 :DD 1ifqA 46 :EQ T0532 108 :V 1ifqA 49 :P Number of specific fragments extracted= 3 number of extra gaps= 2 total=25137 # 1qmgA.101.302 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 101 :ESVSDDNVN 1qmgA 374 :NSLSEEGKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25138 # 1ypyA.101.75 read from T0532.t2k.many.frag # found chain 1ypyA in training set Warning: unaligning (T0532)S104 (1ypyA)T80 because P (beta_P) conformation "forbidden" or filtered. T0532 101 :ESV 1ypyA 77 :SGL T0532 105 :DDNVN 1ypyA 81 :PEQKA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25140 # 1owlA.101.265 read from T0532.t2k.many.frag # found chain 1owlA in training set T0532 101 :ESVSDDNVN 1owlA 266 :ALSRSDEAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25141 # 1hekA.101.71 read from T0532.t2k.many.frag # found chain 1hekA in template set T0532 101 :ESVSDDNVN 1hekA 65 :QTLSGQERE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25142 # 1ib2A.101.43 read from T0532.t2k.many.frag # found chain 1ib2A in template set T0532 101 :ESVSDDNVN 1ib2A 871 :ERATPAERQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25143 # 1xqwA.101.145 read from T0532.t2k.many.frag # found chain 1xqwA in template set T0532 101 :ESVSDDNVN 1xqwA 146 :DELPAKYRD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25144 # 1dj8A.101.21 read from T0532.t2k.many.frag # found chain 1dj8A in template set Warning: unaligning (T0532)S102 (1dj8A)A23 because G (3-10) conformation "forbidden" or filtered. T0532 101 :E 1dj8A 22 :L T0532 103 :VSDDNVN 1dj8A 24 :VDESFQP Number of specific fragments extracted= 2 number of extra gaps= 1 total=25146 # 1aep.101.63 read from T0532.t2k.many.frag # found chain 1aep in template set Warning: unaligning (T0532)S102 (1aep)K65 because G (3-10) conformation "forbidden" or filtered. T0532 101 :E 1aep 64 :E T0532 103 :VSDDNVN 1aep 66 :HQGSVAE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25148 # 1s4bP.101.111 read from T0532.t2k.many.frag # found chain 1s4bP in template set Warning: unaligning (T0532)D106 (1s4bP)D132 because L (left) conformation "forbidden" or filtered. T0532 101 :ESVSD 1s4bP 127 :EKVQK T0532 107 :NVN 1s4bP 133 :SLR Number of specific fragments extracted= 2 number of extra gaps= 1 total=25150 # 1r5iD.101.36 read from T0532.t2k.many.frag # found chain 1r5iD in template set T0532 101 :ESVSDDNVN 1r5iD 34 :NLSNKEETK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25151 # 1gk9A.101.82 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 101 :ESVSDDNVN 1gk9A 83 :AALSPEDMS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25152 # 1eswA.101.116 read from T0532.t2k.many.frag # found chain 1eswA in template set T0532 101 :ESVSDDNVN 1eswA 117 :EKASPEERE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25153 1u5hA expands to /projects/compbio/data/pdb/1u5h.pdb.gz 1u5hA:# 1u5hA.101.36 read from T0532.t2k.many.frag # adding 1u5hA to template set # found chain 1u5hA in template set Warning: unaligning (T0532)S104 (1u5hA)A40 because P (beta_P) conformation "forbidden" or filtered. T0532 101 :ESV 1u5hA 37 :DGV T0532 105 :DDNVN 1u5hA 41 :EAQKP Number of specific fragments extracted= 2 number of extra gaps= 1 total=25155 # 1wa5C.101.129 read from T0532.t2k.many.frag # found chain 1wa5C in template set Warning: unaligning (T0532)V108 (1wa5C)M137 because G (3-10) conformation "forbidden" or filtered. T0532 101 :ESVSDDN 1wa5C 130 :SRLSNDD T0532 109 :N 1wa5C 138 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=25157 # 1b79A.101.42 read from T0532.t2k.many.frag # found chain 1b79A in template set T0532 101 :ESVSDDNVN 1b79A 52 :ERVVADDFY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25158 # 1u20A.101.192 read from T0532.t2k.many.frag # found chain 1u20A in template set T0532 101 :ESVSDDNVN 1u20A 193 :KLLREDQIQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25159 # 1floA.101.22 read from T0532.t2k.many.frag # found chain 1floA in template set Warning: unaligning (T0532)S102 (1floA)R25 because D (zeta) conformation "forbidden" or filtered. T0532 101 :E 1floA 24 :E T0532 103 :VSDDNVN 1floA 26 :PSGEKIA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25161 # 1w6kA.101.304 read from T0532.t2k.many.frag # found chain 1w6kA in template set T0532 101 :ESVSDDNVN 1w6kA 305 :HHHSAHLRQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25162 # 1ra0A.101.96 read from T0532.t2k.many.frag # found chain 1ra0A in training set T0532 101 :ESVSDDNVN 1ra0A 93 :ALLTHDDVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25163 # 1sz9A.101.94 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 101 :ESVSDDNVN 1sz9A 95 :LLVDNTTRT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25164 # 1szhA.101.16 read from T0532.t2k.many.frag # found chain 1szhA in training set T0532 101 :ESVSDDNVN 1szhA 31 :KCCTRNRQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25165 # 1qkrA.101.31 read from T0532.t2k.many.frag # found chain 1qkrA in training set Warning: unaligning (T0532)D106 (1qkrA)K915 because P (beta_P) conformation "forbidden" or filtered. T0532 101 :ESVSD 1qkrA 910 :RKWSS T0532 107 :NVN 1qkrA 916 :GND Number of specific fragments extracted= 2 number of extra gaps= 1 total=25167 # 1pprM.101.111 read from T0532.t2k.many.frag # found chain 1pprM in template set Warning: unaligning (T0532)S104 (1pprM)T115 because P (beta_P) conformation "forbidden" or filtered. T0532 101 :ESV 1pprM 112 :SKI T0532 105 :DDNVN 1pprM 116 :DPKVP Number of specific fragments extracted= 2 number of extra gaps= 1 total=25169 # 1ug3A.101.233 read from T0532.t2k.many.frag # found chain 1ug3A in template set Warning: unaligning (T0532)N109 (1ug3A)V1475 because G (3-10) conformation "forbidden" or filtered. T0532 101 :ESVSDDNV 1ug3A 1467 :ANLSEQQI Number of specific fragments extracted= 1 number of extra gaps= 1 total=25170 # 2f22A.101.18 read from T0532.t2k.many.frag # found chain 2f22A in template set Warning: unaligning (T0532)S102 (2f22A)E19 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S104 (2f22A)P21 because P (beta_P) conformation "forbidden" or filtered. T0532 101 :E 2f22A 18 :K T0532 103 :V 2f22A 20 :I T0532 105 :DDNVN 2f22A 22 :ESKWD Number of specific fragments extracted= 3 number of extra gaps= 2 total=25173 # 1wuaA.101.282 read from T0532.t2k.many.frag # found chain 1wuaA in template set T0532 101 :ESVSDDNVN 1wuaA 283 :MKCDIDIRK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25174 # 1qj4A.101.65 read from T0532.t2k.many.frag # found chain 1qj4A in training set T0532 101 :ESVSDDNVN 1qj4A 66 :EALPPGEKV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25175 # 1yqyA.101.51 read from T0532.t2k.many.frag # found chain 1yqyA in template set T0532 101 :ESVSDDNVN 1yqyA 309 :HSLSQEEKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25176 # 1j2zA.101.199 read from T0532.t2k.many.frag # found chain 1j2zA in template set T0532 101 :ESVSDDNVN 1j2zA 200 :QLLESKDID Number of specific fragments extracted= 1 number of extra gaps= 0 total=25177 1wy6A expands to /projects/compbio/data/pdb/1wy6.pdb.gz 1wy6A:# 1wy6A.101.34 read from T0532.t2k.many.frag # adding 1wy6A to template set # found chain 1wy6A in template set T0532 101 :ESVSDDNVN 1wy6A 36 :KSSTKSEYN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25178 # 1ypyA.102.76 read from T0532.t2k.many.frag # found chain 1ypyA in training set T0532 102 :SVSDDNVNA 1ypyA 78 :GLTPEQKAY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25179 # 1qmgA.102.303 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 102 :SVSDDNVNA 1qmgA 375 :SLSEEGKKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25180 # 1dj8A.102.22 read from T0532.t2k.many.frag # found chain 1dj8A in template set Warning: unaligning (T0532)S102 (1dj8A)A23 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)S104 (1dj8A)D25 because P (beta_P) conformation "forbidden" or filtered. T0532 103 :V 1dj8A 24 :V T0532 105 :DDNVNA 1dj8A 26 :ESFQPT Number of specific fragments extracted= 2 number of extra gaps= 2 total=25182 # 1u5hA.102.37 read from T0532.t2k.many.frag # found chain 1u5hA in template set T0532 102 :SVSDDNVNA 1u5hA 38 :GVAEAQKPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25183 # 1gk9A.102.83 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 102 :SVSDDNVNA 1gk9A 84 :ALSPEDMSI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25184 # 1owlA.102.266 read from T0532.t2k.many.frag # found chain 1owlA in training set T0532 102 :SVSDDNVNA 1owlA 267 :LSRSDEARN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25185 # 1aep.102.64 read from T0532.t2k.many.frag # found chain 1aep in template set T0532 102 :SVSDDNVNA 1aep 65 :KHQGSVAEQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25186 # 1svsA.102.58 read from T0532.t2k.many.frag # found chain 1svsA in training set Warning: unaligning (T0532)S102 (1svsA)G60 because S (epsilon) conformation "forbidden" or filtered. T0532 103 :VSDDNVNA 1svsA 61 :YSEEECKQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=25187 # 1hekA.102.72 read from T0532.t2k.many.frag # found chain 1hekA in template set T0532 102 :SVSDDNVNA 1hekA 66 :TLSGQEREA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25188 # 1wa5C.102.130 read from T0532.t2k.many.frag # found chain 1wa5C in template set Warning: unaligning (T0532)V108 (1wa5C)M137 because G (3-10) conformation "forbidden" or filtered. T0532 102 :SVSDDN 1wa5C 131 :RLSNDD T0532 109 :NA 1wa5C 138 :VT Number of specific fragments extracted= 2 number of extra gaps= 1 total=25190 # 1xqwA.102.146 read from T0532.t2k.many.frag # found chain 1xqwA in template set T0532 102 :SVSDDNVNA 1xqwA 147 :ELPAKYRDA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25191 # 1ug3A.102.234 read from T0532.t2k.many.frag # found chain 1ug3A in template set T0532 102 :SVSDDNVNA 1ug3A 1468 :NLSEQQIVS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25192 # 1v9mA.102.74 read from T0532.t2k.many.frag # found chain 1v9mA in template set Warning: unaligning (T0532)S104 (1v9mA)T77 because Y (epsilon') conformation "forbidden" or filtered. T0532 102 :SV 1v9mA 75 :LV T0532 105 :DDNVNA 1v9mA 78 :GEAREA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25194 # 1uwcA.102.4 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 102 :SVSDDNVNA 1uwcA 5 :GISEDLYNR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25195 1ct5A expands to /projects/compbio/data/pdb/1ct5.pdb.gz 1ct5A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1ct5A.102.4 read from T0532.t2k.many.frag # adding 1ct5A to template set # found chain 1ct5A in template set T0532 102 :SVSDDNVNA 1ct5A 6 :TYDEDRKTQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25196 # 1u20A.102.193 read from T0532.t2k.many.frag # found chain 1u20A in template set T0532 102 :SVSDDNVNA 1u20A 194 :LLREDQIQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25197 # 1eswA.102.117 read from T0532.t2k.many.frag # found chain 1eswA in template set T0532 102 :SVSDDNVNA 1eswA 118 :KASPEEREA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25198 # 1sz9A.102.95 read from T0532.t2k.many.frag # found chain 1sz9A in template set T0532 102 :SVSDDNVNA 1sz9A 96 :LVDNTTRTK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25199 # 1szhA.102.17 read from T0532.t2k.many.frag # found chain 1szhA in training set T0532 102 :SVSDDNVNA 1szhA 32 :CCTRNRQEC Number of specific fragments extracted= 1 number of extra gaps= 0 total=25200 2d0oA expands to /projects/compbio/data/pdb/2d0o.pdb.gz 2d0oA:# 2d0oA.102.221 read from T0532.t2k.many.frag # adding 2d0oA to template set # found chain 2d0oA in template set T0532 102 :SVSDDNVNA 2d0oA 222 :NLSPEETKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25201 # 1floA.102.23 read from T0532.t2k.many.frag # found chain 1floA in template set T0532 102 :SVSDDNVNA 1floA 25 :RPSGEKIAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25202 # 1ib2A.102.44 read from T0532.t2k.many.frag # found chain 1ib2A in template set T0532 102 :SVSDDNVNA 1ib2A 872 :RATPAERQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25203 # 2aalA.102.10 read from T0532.t2k.many.frag # found chain 2aalA in template set T0532 102 :SVSDDNVNA 2aalA 10 :GRTDAQIKS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25204 # 1f5qB.102.84 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 102 :SVSDDNVNA 1f5qB 85 :RIDRENYQS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25205 # 1s4bP.102.112 read from T0532.t2k.many.frag # found chain 1s4bP in template set T0532 102 :SVSDDNVNA 1s4bP 128 :KVQKDSLRP Number of specific fragments extracted= 1 number of extra gaps= 0 total=25206 # 1j2zA.102.200 read from T0532.t2k.many.frag # found chain 1j2zA in template set T0532 102 :SVSDDNVNA 1j2zA 201 :LLESKDIDF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25207 # 1b79A.102.43 read from T0532.t2k.many.frag # found chain 1b79A in template set T0532 102 :SVSDDNVNA 1b79A 53 :RVVADDFYT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25208 # 1r5iD.102.37 read from T0532.t2k.many.frag # found chain 1r5iD in template set Warning: unaligning (T0532)V108 (1r5iD)T41 because G (3-10) conformation "forbidden" or filtered. T0532 102 :SVSDDN 1r5iD 35 :LSNKEE T0532 109 :NA 1r5iD 42 :KE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25210 # 1wuaA.102.283 read from T0532.t2k.many.frag # found chain 1wuaA in template set T0532 102 :SVSDDNVNA 1wuaA 284 :KCDIDIRKD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25211 # 1w6kA.102.305 read from T0532.t2k.many.frag # found chain 1w6kA in template set T0532 102 :SVSDDNVNA 1w6kA 306 :HHSAHLRQR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25212 # 1u5hA.103.38 read from T0532.t2k.many.frag # found chain 1u5hA in template set Warning: unaligning (T0532)N107 (1u5hA)Q43 because G (3-10) conformation "forbidden" or filtered. T0532 103 :VSDD 1u5hA 39 :VAEA T0532 108 :VNAY 1u5hA 44 :KPAA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25214 # 1ypyA.103.77 read from T0532.t2k.many.frag # found chain 1ypyA in training set T0532 103 :VSDDNVNAY 1ypyA 79 :LTPEQKAYV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25215 # 1dj8A.103.23 read from T0532.t2k.many.frag # found chain 1dj8A in template set T0532 103 :VSDDNVNAY 1dj8A 24 :VDESFQPTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25216 # 1svsA.103.59 read from T0532.t2k.many.frag # found chain 1svsA in training set T0532 103 :VSDDNVNAY 1svsA 61 :YSEEECKQY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25217 # 1qmgA.103.304 read from T0532.t2k.many.frag # found chain 1qmgA in training set T0532 103 :VSDDNVNAY 1qmgA 376 :LSEEGKKDF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25218 # 1v9mA.103.75 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 103 :VSDDNVNAY 1v9mA 76 :VTGEAREAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25219 # 1i12A.103.135 read from T0532.t2k.many.frag # found chain 1i12A in training set Warning: unaligning (T0532)V103 (1i12A)C135 because Y (epsilon') conformation "forbidden" or filtered. T0532 104 :SDDNVNAY 1i12A 136 :DEKNVKFY Number of specific fragments extracted= 1 number of extra gaps= 1 total=25220 # 1gk9A.103.84 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 103 :VSDDNVNAY 1gk9A 85 :LSPEDMSIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25221 # 1uwcA.103.5 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 103 :VSDDNVNAY 1uwcA 6 :ISEDLYNRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25222 1u7kA expands to /projects/compbio/data/pdb/1u7k.pdb.gz 1u7kA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1u7kA.103.62 read from T0532.t2k.many.frag # adding 1u7kA to template set # found chain 1u7kA in template set T0532 103 :VSDDNVNAY 1u7kA 63 :LTGEEKQRV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25223 2f2bA expands to /projects/compbio/data/pdb/2f2b.pdb.gz 2f2bA:# 2f2bA.103.94 read from T0532.t2k.many.frag # adding 2f2bA to template set # found chain 2f2bA in template set Warning: unaligning (T0532)S104 (2f2bA)P96 because P (beta_P) conformation "forbidden" or filtered. T0532 103 :V 2f2bA 95 :F T0532 105 :DDNVNAY 2f2bA 97 :GREVVPY Number of specific fragments extracted= 2 number of extra gaps= 1 total=25225 # 1ct5A.103.5 read from T0532.t2k.many.frag # found chain 1ct5A in template set T0532 103 :VSDDNVNAY 1ct5A 7 :YDEDRKTQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25226 # 1szhA.103.18 read from T0532.t2k.many.frag # found chain 1szhA in training set Warning: unaligning (T0532)N107 (1szhA)R37 because G (3-10) conformation "forbidden" or filtered. T0532 103 :VSDD 1szhA 33 :CTRN T0532 108 :VNAY 1szhA 38 :QECC Number of specific fragments extracted= 2 number of extra gaps= 1 total=25228 # 1aep.103.65 read from T0532.t2k.many.frag # found chain 1aep in template set Warning: unaligning (T0532)D105 (1aep)G68 because S (epsilon) conformation "forbidden" or filtered. T0532 103 :VS 1aep 66 :HQ T0532 106 :DNVNAY 1aep 69 :SVAEQL Number of specific fragments extracted= 2 number of extra gaps= 1 total=25230 # 1ybdA.103.68 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 103 :VSDDNVNAY 1ybdA 71 :MDRATADYM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25231 1wrdA expands to /projects/compbio/data/pdb/1wrd.pdb.gz 1wrdA:# 1wrdA.103.36 read from T0532.t2k.many.frag # adding 1wrdA to template set # found chain 1wrdA in template set T0532 103 :VSDDNVNAY 1wrdA 246 :AEPADLELL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25232 # 2d0oA.103.222 read from T0532.t2k.many.frag # found chain 2d0oA in template set T0532 103 :VSDDNVNAY 2d0oA 223 :LSPEETKNI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25233 # 1owlA.103.267 read from T0532.t2k.many.frag # found chain 1owlA in training set Warning: unaligning (T0532)D105 (1owlA)S270 because E (beta_S) conformation "forbidden" or filtered. T0532 103 :VS 1owlA 268 :SR T0532 106 :DNVNAY 1owlA 271 :DEARNS Number of specific fragments extracted= 2 number of extra gaps= 1 total=25235 # 1f5qB.103.85 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 103 :VSDDNVNAY 1f5qB 86 :IDRENYQST Number of specific fragments extracted= 1 number of extra gaps= 0 total=25236 # 1hbnB.103.146 read from T0532.t2k.many.frag # found chain 1hbnB in training set T0532 103 :VSDDNVNAY 1hbnB 148 :VSMYDANMV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25237 # 1u20A.103.194 read from T0532.t2k.many.frag # found chain 1u20A in template set T0532 103 :VSDDNVNAY 1u20A 195 :LREDQIQEV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25238 # 1hekA.103.73 read from T0532.t2k.many.frag # found chain 1hekA in template set T0532 103 :VSDDNVNAY 1hekA 67 :LSGQEREAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25239 # 1jh6A.103.14 read from T0532.t2k.many.frag # found chain 1jh6A in training set T0532 103 :VSDDNVNAY 1jh6A 15 :PDEESEPRF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25240 # 1ug3A.103.235 read from T0532.t2k.many.frag # found chain 1ug3A in template set T0532 103 :VSDDNVNAY 1ug3A 1469 :LSEQQIVSN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25241 1dp4A expands to /projects/compbio/data/pdb/1dp4.pdb.gz 1dp4A:Skipped atom 541, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 543, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 545, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 547, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 549, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 551, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 553, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 555, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 557, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 559, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 1636, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 1638, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 1640, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 1642, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 2126, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 2128, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 2130, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 2132, because occupancy 0.500 <= existing 0.500 in 1dp4A Skipped atom 2134, because occupancy 0.500 <= existing 0.500 in 1dp4A # 1dp4A.103.190 read from T0532.t2k.many.frag # adding 1dp4A to template set # found chain 1dp4A in template set Warning: unaligning (T0532)V103 (1dp4A)G191 because G (3-10) conformation "forbidden" or filtered. Warning: unaligning (T0532)N107 (1dp4A)H195 because G (3-10) conformation "forbidden" or filtered. T0532 104 :SDD 1dp4A 192 :DPD T0532 108 :VNAY 1dp4A 196 :YPKL Number of specific fragments extracted= 2 number of extra gaps= 2 total=25243 # 1wa5C.103.131 read from T0532.t2k.many.frag # found chain 1wa5C in template set T0532 103 :VSDDNVNAY 1wa5C 132 :LSNDDMVTN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25244 1b65A expands to /projects/compbio/data/pdb/1b65.pdb.gz 1b65A:# 1b65A.103.315 read from T0532.t2k.many.frag # adding 1b65A to template set # found chain 1b65A in template set T0532 103 :VSDDNVNAY 1b65A 316 :VNDEPLDTV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25245 1t1uA expands to /projects/compbio/data/pdb/1t1u.pdb.gz 1t1uA:# 1t1uA.103.44 read from T0532.t2k.many.frag # adding 1t1uA to template set # found chain 1t1uA in template set Warning: unaligning (T0532)V108 because of BadResidue code CHAIN_BREAK_BEFORE+HIGH_B_FACTOR in next template residue (1t1uA)R52 Warning: unaligning (T0532)N109 because of BadResidue code CHAIN_BREAK_BEFORE+HIGH_B_FACTOR at template residue (1t1uA)R52 T0532 103 :VSDDN 1t1uA 46 :VPEEQ T0532 110 :AY 1t1uA 53 :KS Number of specific fragments extracted= 2 number of extra gaps= 1 total=25247 # 1oxwA.103.320 read from T0532.t2k.many.frag # found chain 1oxwA in template set Warning: unaligning (T0532)V103 (1oxwA)A334 because G (3-10) conformation "forbidden" or filtered. T0532 104 :SDDNVNAY 1oxwA 335 :SEANMELL Number of specific fragments extracted= 1 number of extra gaps= 1 total=25248 1kyqA expands to /projects/compbio/data/pdb/1kyq.pdb.gz 1kyqA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 110, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 112, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 114, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 116, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 118, because occupancy 0.500 <= existing 0.500 in 1kyqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 803, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 805, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 807, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 809, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 811, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 813, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 815, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 817, because occupancy 0.500 <= existing 0.500 in 1kyqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 883, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 885, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 887, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 889, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 891, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 893, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 928, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 930, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 932, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 934, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 936, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1006, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1008, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1010, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1012, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1014, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1431, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1433, because occupancy 0.500 <= existing 0.500 in 1kyqA Skipped atom 1435, because occupancy 0.500 <= existing 0.500 in 1kyqA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1kyqA.103.211 read from T0532.t2k.many.frag # adding 1kyqA to template set # found chain 1kyqA in template set T0532 103 :VSDDNVNAY 1kyqA 212 :PDDKDVKYR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25249 # 2f2bA.104.95 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 104 :SDDNVNAYD 2f2bA 96 :PGREVVPYI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25250 # 1u5hA.104.39 read from T0532.t2k.many.frag # found chain 1u5hA in template set Warning: unaligning (T0532)N107 (1u5hA)Q43 because G (3-10) conformation "forbidden" or filtered. T0532 104 :SDD 1u5hA 40 :AEA T0532 108 :VNAYD 1u5hA 44 :KPAAR Number of specific fragments extracted= 2 number of extra gaps= 1 total=25252 # 1svsA.104.60 read from T0532.t2k.many.frag # found chain 1svsA in training set T0532 104 :SDDNVNAYD 1svsA 62 :SEEECKQYK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25253 # 1b65A.104.316 read from T0532.t2k.many.frag # found chain 1b65A in template set T0532 104 :SDDNVNAYD 1b65A 317 :NDEPLDTVY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25254 # 1dp4A.104.191 read from T0532.t2k.many.frag # found chain 1dp4A in template set T0532 104 :SDDNVNAYD 1dp4A 192 :DPDHYPKLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25255 # 1ybdA.104.69 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 104 :SDDNVNAYD 1ybdA 72 :DRATADYMG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25256 # 1u7kA.104.63 read from T0532.t2k.many.frag # found chain 1u7kA in template set T0532 104 :SDDNVNAYD 1u7kA 64 :TGEEKQRVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25257 # 1i12A.104.136 read from T0532.t2k.many.frag # found chain 1i12A in training set Warning: unaligning (T0532)N107 (1i12A)N139 because G (3-10) conformation "forbidden" or filtered. T0532 104 :SDD 1i12A 136 :DEK T0532 108 :VNAYD 1i12A 140 :VKFYE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25259 # 1hbnB.104.147 read from T0532.t2k.many.frag # found chain 1hbnB in training set T0532 104 :SDDNVNAYD 1hbnB 149 :SMYDANMVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25260 # 1jh6A.104.15 read from T0532.t2k.many.frag # found chain 1jh6A in training set T0532 104 :SDDNVNAYD 1jh6A 16 :DEESEPRFK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25261 # 1ct5A.104.6 read from T0532.t2k.many.frag # found chain 1ct5A in template set T0532 104 :SDDNVNAYD 1ct5A 8 :DEDRKTQLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25262 # 1kyqA.104.212 read from T0532.t2k.many.frag # found chain 1kyqA in template set Warning: unaligning (T0532)S104 (1kyqA)D213 because P (beta_P) conformation "forbidden" or filtered. T0532 105 :DDNVNAYD 1kyqA 214 :DKDVKYRM Number of specific fragments extracted= 1 number of extra gaps= 1 total=25263 # 1dj8A.104.24 read from T0532.t2k.many.frag # found chain 1dj8A in template set T0532 104 :SDDNVNAYD 1dj8A 25 :DESFQPTAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25264 # 1uwcA.104.6 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 104 :SDDNVNAYD 1uwcA 7 :SEDLYNRLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25265 1cfzA expands to /projects/compbio/data/pdb/1cfz.pdb.gz 1cfzA:# 1cfzA.104.86 read from T0532.t2k.many.frag # adding 1cfzA to template set # found chain 1cfzA in template set Warning: unaligning (T0532)D105 (1cfzA)N88 because Y (epsilon') conformation "forbidden" or filtered. T0532 104 :S 1cfzA 87 :T T0532 106 :DNVNAYD 1cfzA 89 :KISPHQL Number of specific fragments extracted= 2 number of extra gaps= 1 total=25267 # 2d0oA.104.223 read from T0532.t2k.many.frag # found chain 2d0oA in template set T0532 104 :SDDNVNAYD 2d0oA 224 :SPEETKNIV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25268 # 1v9mA.104.76 read from T0532.t2k.many.frag # found chain 1v9mA in template set Warning: unaligning (T0532)S104 (1v9mA)T77 because Y (epsilon') conformation "forbidden" or filtered. Warning: unaligning (T0532)D105 (1v9mA)G78 because S (epsilon) conformation "forbidden" or filtered. T0532 106 :DNVNAYD 1v9mA 79 :EAREAVR Number of specific fragments extracted= 1 number of extra gaps= 1 total=25269 # 1szhA.104.19 read from T0532.t2k.many.frag # found chain 1szhA in training set T0532 104 :SDDNVNAYD 1szhA 34 :TRNRQECCI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25270 # 1wrdA.104.37 read from T0532.t2k.many.frag # found chain 1wrdA in template set T0532 104 :SDDNVNAYD 1wrdA 247 :EPADLELLQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25271 # 1i60A.104.74 read from T0532.t2k.many.frag # found chain 1i60A in training set T0532 104 :SDDNVNAYD 1i60A 75 :DEKGHNEII Number of specific fragments extracted= 1 number of extra gaps= 0 total=25272 # 1oxwA.104.321 read from T0532.t2k.many.frag # found chain 1oxwA in template set T0532 104 :SDDNVNAYD 1oxwA 335 :SEANMELLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25273 # 1ypyA.104.78 read from T0532.t2k.many.frag # found chain 1ypyA in training set T0532 104 :SDDNVNAYD 1ypyA 80 :TPEQKAYVP Number of specific fragments extracted= 1 number of extra gaps= 0 total=25274 1wpbA expands to /projects/compbio/data/pdb/1wpb.pdb.gz 1wpbA:Skipped atom 274, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 276, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 278, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 280, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 282, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 284, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 286, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 1223, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 1225, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 1227, because occupancy 0.500 <= existing 0.500 in 1wpbA Skipped atom 1229, because occupancy 0.500 <= existing 0.500 in 1wpbA # 1wpbA.104.103 read from T0532.t2k.many.frag # adding 1wpbA to template set # found chain 1wpbA in template set T0532 104 :SDDNVNAYD 1wpbA 102 :DAATEARYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25275 # 1ps1A.104.109 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 104 :SDDNVNAYD 1ps1A 110 :PDTAPPIAH Number of specific fragments extracted= 1 number of extra gaps= 0 total=25276 # 1f5qB.104.86 read from T0532.t2k.many.frag # found chain 1f5qB in template set T0532 104 :SDDNVNAYD 1f5qB 87 :DRENYQSTA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25277 # 1nogA.104.78 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 104 :SDDNVNAYD 1nogA 79 :TREMIDYLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25278 1y5mA expands to /projects/compbio/data/pdb/1y5m.pdb.gz 1y5mA:# 1y5mA.104.159 read from T0532.t2k.many.frag # adding 1y5mA to template set # found chain 1y5mA in template set Warning: unaligning (T0532)D105 (1y5mA)Q177 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N107 (1y5mA)M179 because T (delta_L) conformation "forbidden" or filtered. T0532 104 :S 1y5mA 176 :T T0532 106 :D 1y5mA 178 :P T0532 108 :VNAYD 1y5mA 180 :IAPYS Number of specific fragments extracted= 3 number of extra gaps= 2 total=25281 # 1ed1A.104.71 read from T0532.t2k.many.frag # found chain 1ed1A in template set T0532 104 :SDDNVNAYD 1ed1A 72 :SENLKSLYN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25282 # 1aep.104.66 read from T0532.t2k.many.frag # found chain 1aep in template set T0532 104 :SDDNVNAYD 1aep 67 :QGSVAEQLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25283 # 1jfbA.104.160 read from T0532.t2k.many.frag # found chain 1jfbA in training set T0532 104 :SDDNVNAYD 1jfbA 160 :PFNDLEYLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25284 # 2f2bA.105.96 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 105 :DDNVNAYDG 2f2bA 97 :GREVVPYII Number of specific fragments extracted= 1 number of extra gaps= 0 total=25285 # 1cfzA.105.87 read from T0532.t2k.many.frag # found chain 1cfzA in template set T0532 105 :DDNVNAYDG 1cfzA 88 :NKISPHQLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25286 # 1ybdA.105.70 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 105 :DDNVNAYDG 1ybdA 73 :RATADYMGM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25287 # 1u5hA.105.40 read from T0532.t2k.many.frag # found chain 1u5hA in template set T0532 105 :DDNVNAYDG 1u5hA 41 :EAQKPAARN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25288 # 1i6lA.105.231 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 105 :DDNVNAYDG 1i6lA 232 :KEAKPGISN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25289 # 1hbnB.105.148 read from T0532.t2k.many.frag # found chain 1hbnB in training set Warning: unaligning (T0532)N107 (1hbnB)D152 because G (3-10) conformation "forbidden" or filtered. T0532 105 :DD 1hbnB 150 :MY T0532 108 :VNAYDG 1hbnB 153 :ANMVKA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25291 # 1u7kA.105.64 read from T0532.t2k.many.frag # found chain 1u7kA in template set T0532 105 :DDNVNAYDG 1u7kA 65 :GEEKQRVLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25292 # 1b65A.105.317 read from T0532.t2k.many.frag # found chain 1b65A in template set T0532 105 :DDNVNAYDG 1b65A 318 :DEPLDTVYL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25293 # 1svsA.105.61 read from T0532.t2k.many.frag # found chain 1svsA in training set T0532 105 :DDNVNAYDG 1svsA 63 :EEECKQYKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25294 # 1dp4A.105.192 read from T0532.t2k.many.frag # found chain 1dp4A in template set T0532 105 :DDNVNAYDG 1dp4A 193 :PDHYPKLLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25295 # 1wpbA.105.104 read from T0532.t2k.many.frag # found chain 1wpbA in template set T0532 105 :DDNVNAYDG 1wpbA 103 :AATEARYLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25296 # 1ct5A.105.7 read from T0532.t2k.many.frag # found chain 1ct5A in template set T0532 105 :DDNVNAYDG 1ct5A 9 :EDRKTQLIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25297 # 2d0oA.105.224 read from T0532.t2k.many.frag # found chain 2d0oA in template set T0532 105 :DDNVNAYDG 2d0oA 225 :PEETKNIVP Number of specific fragments extracted= 1 number of extra gaps= 0 total=25298 # 1wrdA.105.38 read from T0532.t2k.many.frag # found chain 1wrdA in template set T0532 105 :DDNVNAYDG 1wrdA 248 :PADLELLQE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25299 # 1nogA.105.79 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 105 :DDNVNAYDG 1nogA 80 :REMIDYLEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25300 # 1jh6A.105.16 read from T0532.t2k.many.frag # found chain 1jh6A in training set T0532 105 :DDNVNAYDG 1jh6A 17 :EESEPRFKK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25301 # 1uwcA.105.7 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 105 :DDNVNAYDG 1uwcA 8 :EDLYNRLVE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25302 # 1v9mA.105.77 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 105 :DDNVNAYDG 1v9mA 78 :GEAREAVRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25303 # 2a0b.105.52 read from T0532.t2k.many.frag # found chain 2a0b in training set Warning: unaligning (T0532)D106 (2a0b)Q705 because L (left) conformation "forbidden" or filtered. T0532 105 :D 2a0b 704 :A T0532 107 :NVNAYDG 2a0b 706 :DKKGIVE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25305 3fapB expands to /projects/compbio/data/pdb/3fap.pdb.gz 3fapB:# 3fapB.105.22 read from T0532.t2k.many.frag # adding 3fapB to template set # found chain 3fapB in template set Warning: unaligning (T0532)D106 (3fapB)R131 because L (left) conformation "forbidden" or filtered. T0532 105 :D 3fapB 130 :E T0532 107 :NVNAYDG 3fapB 132 :NVKGMFE Number of specific fragments extracted= 2 number of extra gaps= 1 total=25307 # 1szhA.105.20 read from T0532.t2k.many.frag # found chain 1szhA in training set T0532 105 :DDNVNAYDG 1szhA 35 :RNRQECCIE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25308 # 1ps1A.105.110 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 105 :DDNVNAYDG 1ps1A 111 :DTAPPIAHG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25309 # 1kyqA.105.213 read from T0532.t2k.many.frag # found chain 1kyqA in template set T0532 105 :DDNVNAYDG 1kyqA 214 :DKDVKYRMD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25310 # 1y5mA.105.160 read from T0532.t2k.many.frag # found chain 1y5mA in template set Warning: unaligning (T0532)D105 (1y5mA)Q177 because E (beta_S) conformation "forbidden" or filtered. Warning: unaligning (T0532)N107 (1y5mA)M179 because T (delta_L) conformation "forbidden" or filtered. T0532 106 :D 1y5mA 178 :P T0532 108 :VNAYDG 1y5mA 180 :IAPYSA Number of specific fragments extracted= 2 number of extra gaps= 2 total=25312 # 1wa5C.105.133 read from T0532.t2k.many.frag # found chain 1wa5C in template set Warning: unaligning (T0532)V108 (1wa5C)M137 because G (3-10) conformation "forbidden" or filtered. T0532 105 :DDN 1wa5C 134 :NDD T0532 109 :NAYDG 1wa5C 138 :VTNKG Number of specific fragments extracted= 2 number of extra gaps= 1 total=25314 # 1i60A.105.75 read from T0532.t2k.many.frag # found chain 1i60A in training set T0532 105 :DDNVNAYDG 1i60A 76 :EKGHNEIIT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25315 # 1oxwA.105.322 read from T0532.t2k.many.frag # found chain 1oxwA in template set T0532 105 :DDNVNAYDG 1oxwA 336 :EANMELLVQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25316 # 1gk9A.105.86 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 105 :DDNVNAYDG 1gk9A 87 :PEDMSILQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25317 # 1dj8A.105.25 read from T0532.t2k.many.frag # found chain 1dj8A in template set T0532 105 :DDNVNAYDG 1dj8A 26 :ESFQPTAVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25318 # 1ed1A.105.72 read from T0532.t2k.many.frag # found chain 1ed1A in template set T0532 105 :DDNVNAYDG 1ed1A 73 :ENLKSLYNT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25319 # 1cfzA.106.88 read from T0532.t2k.many.frag # found chain 1cfzA in template set T0532 106 :DNVNAYDGL 1cfzA 89 :KISPHQLGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25320 # 2f2bA.106.97 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 106 :DNVNAYDGL 2f2bA 98 :REVVPYIIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25321 # 1ybdA.106.71 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 106 :DNVNAYDGL 1ybdA 74 :ATADYMGMM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25322 # 1i6lA.106.232 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 106 :DNVNAYDGL 1i6lA 233 :EAKPGISNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25323 # 1nogA.106.80 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 106 :DNVNAYDGL 1nogA 81 :EMIDYLEAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25324 # 1wpbA.106.105 read from T0532.t2k.many.frag # found chain 1wpbA in template set T0532 106 :DNVNAYDGL 1wpbA 104 :ATEARYLGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25325 # 2a0b.106.53 read from T0532.t2k.many.frag # found chain 2a0b in training set T0532 106 :DNVNAYDGL 2a0b 705 :QDKKGIVEE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25326 # 1u7kA.106.65 read from T0532.t2k.many.frag # found chain 1u7kA in template set T0532 106 :DNVNAYDGL 1u7kA 66 :EEKQRVLLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25327 # 2d0oA.106.225 read from T0532.t2k.many.frag # found chain 2d0oA in template set T0532 106 :DNVNAYDGL 2d0oA 226 :EETKNIVPM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25328 # 3fapB.106.23 read from T0532.t2k.many.frag # found chain 3fapB in template set Warning: unaligning (T0532)D106 (3fapB)R131 because L (left) conformation "forbidden" or filtered. T0532 107 :NVNAYDGL 3fapB 132 :NVKGMFEV Number of specific fragments extracted= 1 number of extra gaps= 1 total=25329 # 1ijbA.106.129 read from T0532.t2k.many.frag # found chain 1ijbA in training set T0532 106 :DNVNAYDGL 1ijbA 629 :RMSRNFVRY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25330 # 1ct5A.106.8 read from T0532.t2k.many.frag # found chain 1ct5A in template set T0532 106 :DNVNAYDGL 1ct5A 10 :DRKTQLIAQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25331 # 1uwcA.106.8 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 106 :DNVNAYDGL 1uwcA 9 :DLYNRLVEM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25332 # 1u5hA.106.41 read from T0532.t2k.many.frag # found chain 1u5hA in template set T0532 106 :DNVNAYDGL 1u5hA 42 :AQKPAARNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25333 2f2hA expands to /projects/compbio/data/pdb/2f2h.pdb.gz 2f2hA:# 2f2hA.106.322 read from T0532.t2k.many.frag # adding 2f2hA to template set # found chain 2f2hA in template set Warning: unaligning (T0532)A110 (2f2hA)D327 because D (zeta) conformation "forbidden" or filtered. T0532 106 :DNVN 2f2hA 323 :LTFP T0532 111 :YDGL 2f2hA 328 :PEGM Number of specific fragments extracted= 2 number of extra gaps= 1 total=25335 # 1wrdA.106.39 read from T0532.t2k.many.frag # found chain 1wrdA in template set T0532 106 :DNVNAYDGL 1wrdA 249 :ADLELLQEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25336 # 1wa5C.106.134 read from T0532.t2k.many.frag # found chain 1wa5C in template set Warning: unaligning (T0532)G113 (1wa5C)G142 because H (helix) conformation "forbidden" or filtered. T0532 106 :DNVNAYD 1wa5C 135 :DDMVTNK T0532 114 :L 1wa5C 143 :V Number of specific fragments extracted= 2 number of extra gaps= 1 total=25338 # 1jh6A.106.17 read from T0532.t2k.many.frag # found chain 1jh6A in training set T0532 106 :DNVNAYDGL 1jh6A 18 :ESEPRFKKL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25339 1u19A expands to /projects/compbio/data/pdb/1u19.pdb.gz 1u19A:# 1u19A.106.196 read from T0532.t2k.many.frag # adding 1u19A to template set # found chain 1u19A in template set T0532 106 :DNVNAYDGL 1u19A 196 :EETNNESFV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25340 # 1b65A.106.318 read from T0532.t2k.many.frag # found chain 1b65A in template set T0532 106 :DNVNAYDGL 1b65A 319 :EPLDTVYLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25341 # 1ps1A.106.111 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 106 :DNVNAYDGL 1ps1A 112 :TAPPIAHGF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25342 # 1y5mA.106.161 read from T0532.t2k.many.frag # found chain 1y5mA in template set Warning: unaligning (T0532)D106 (1y5mA)P178 because P (beta_P) conformation "forbidden" or filtered. T0532 107 :NVNAYDGL 1y5mA 179 :MIAPYSAS Number of specific fragments extracted= 1 number of extra gaps= 1 total=25343 # 1hbnB.106.149 read from T0532.t2k.many.frag # found chain 1hbnB in training set T0532 106 :DNVNAYDGL 1hbnB 151 :YDANMVKAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25344 # 1tx4A.106.72 read from T0532.t2k.many.frag # found chain 1tx4A in training set T0532 106 :DNVNAYDGL 1tx4A 109 :DQYNALHLP Number of specific fragments extracted= 1 number of extra gaps= 0 total=25345 # 1gk9A.106.87 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 106 :DNVNAYDGL 1gk9A 88 :EDMSILQGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25346 # 1v9mA.106.78 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 106 :DNVNAYDGL 1v9mA 79 :EAREAVRLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25347 # 1up8A.106.335 read from T0532.t2k.many.frag # found chain 1up8A in template set T0532 106 :DNVNAYDGL 1up8A 335 :ALYEAYLNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25348 1wwiA expands to /projects/compbio/data/pdb/1wwi.pdb.gz 1wwiA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1wwiA.106.100 read from T0532.t2k.many.frag # adding 1wwiA to template set # found chain 1wwiA in template set T0532 106 :DNVNAYDGL 1wwiA 101 :EDVRNLLPE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25349 # 1ed1A.106.73 read from T0532.t2k.many.frag # found chain 1ed1A in template set T0532 106 :DNVNAYDGL 1ed1A 74 :NLKSLYNTV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25350 # 1svsA.106.62 read from T0532.t2k.many.frag # found chain 1svsA in training set T0532 106 :DNVNAYDGL 1svsA 64 :EECKQYKAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25351 # 1ybdA.107.72 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 107 :NVNAYDGLA 1ybdA 75 :TADYMGMMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25352 # 1cfzA.107.89 read from T0532.t2k.many.frag # found chain 1cfzA in template set T0532 107 :NVNAYDGLA 1cfzA 90 :ISPHQLGLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25353 # 2f2bA.107.98 read from T0532.t2k.many.frag # found chain 2f2bA in template set Warning: unaligning (T0532)N107 (2f2bA)E99 because G (3-10) conformation "forbidden" or filtered. T0532 108 :VNAYDGLA 2f2bA 100 :VVPYIIAQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=25354 # 2a0b.107.54 read from T0532.t2k.many.frag # found chain 2a0b in training set T0532 107 :NVNAYDGLA 2a0b 706 :DKKGIVEEG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25355 # 2f2hA.107.323 read from T0532.t2k.many.frag # found chain 2f2hA in template set Warning: unaligning (T0532)A110 (2f2hA)D327 because D (zeta) conformation "forbidden" or filtered. T0532 107 :NVN 2f2hA 324 :TFP T0532 111 :YDGLA 2f2hA 328 :PEGMI Number of specific fragments extracted= 2 number of extra gaps= 1 total=25357 # 1i6lA.107.233 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 107 :NVNAYDGLA 1i6lA 234 :AKPGISNLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25358 # 1nogA.107.81 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 107 :NVNAYDGLA 1nogA 82 :MIDYLEARV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25359 # 1wwiA.107.101 read from T0532.t2k.many.frag # found chain 1wwiA in template set T0532 107 :NVNAYDGLA 1wwiA 102 :DVRNLLPEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25360 # 3fapB.107.24 read from T0532.t2k.many.frag # found chain 3fapB in template set T0532 107 :NVNAYDGLA 3fapB 132 :NVKGMFEVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25361 # 1wpbA.107.106 read from T0532.t2k.many.frag # found chain 1wpbA in template set T0532 107 :NVNAYDGLA 1wpbA 105 :TEARYLGYV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25362 1vefA expands to /projects/compbio/data/pdb/1vef.pdb.gz 1vefA:# 1vefA.107.283 read from T0532.t2k.many.frag # adding 1vefA to template set # found chain 1vefA in template set Warning: unaligning (T0532)N109 (1vefA)G286 because T (delta_L) conformation "forbidden" or filtered. T0532 107 :NV 1vefA 284 :FG T0532 110 :AYDGLA 1vefA 287 :NPLAMA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25364 # 1ps1A.107.112 read from T0532.t2k.many.frag # found chain 1ps1A in template set Warning: unaligning (T0532)N107 (1ps1A)A113 because P (beta_P) conformation "forbidden" or filtered. T0532 108 :VNAYDGLA 1ps1A 114 :PPIAHGFA Number of specific fragments extracted= 1 number of extra gaps= 1 total=25365 # 1ijbA.107.130 read from T0532.t2k.many.frag # found chain 1ijbA in training set Warning: unaligning (T0532)A110 (1ijbA)N633 because G (3-10) conformation "forbidden" or filtered. T0532 107 :NVN 1ijbA 630 :MSR T0532 111 :YDGLA 1ijbA 634 :FVRYV Number of specific fragments extracted= 2 number of extra gaps= 1 total=25367 # 1u7kA.107.66 read from T0532.t2k.many.frag # found chain 1u7kA in template set T0532 107 :NVNAYDGLA 1u7kA 67 :EKQRVLLEA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25368 # 2d0oA.107.226 read from T0532.t2k.many.frag # found chain 2d0oA in template set T0532 107 :NVNAYDGLA 2d0oA 227 :ETKNIVPMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25369 # 1gk9A.107.88 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 107 :NVNAYDGLA 1gk9A 89 :DMSILQGYA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25370 # 1tx4A.107.73 read from T0532.t2k.many.frag # found chain 1tx4A in training set T0532 107 :NVNAYDGLA 1tx4A 110 :QYNALHLPA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25371 # 1up8A.107.336 read from T0532.t2k.many.frag # found chain 1up8A in template set Warning: unaligning (T0532)N107 (1up8A)L336 because S (epsilon) conformation "forbidden" or filtered. T0532 108 :VNAYDGLA 1up8A 337 :YEAYLNAC Number of specific fragments extracted= 1 number of extra gaps= 1 total=25372 # 1uwcA.107.9 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 107 :NVNAYDGLA 1uwcA 10 :LYNRLVEMA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25373 1uddA expands to /projects/compbio/data/pdb/1udd.pdb.gz 1uddA:# 1uddA.107.122 read from T0532.t2k.many.frag # adding 1uddA to template set # found chain 1uddA in template set T0532 107 :NVNAYDGLA 1uddA 123 :KGNIIEGLT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25374 # 1jh6A.107.18 read from T0532.t2k.many.frag # found chain 1jh6A in training set T0532 107 :NVNAYDGLA 1jh6A 19 :SEPRFKKLM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25375 # 1y5mA.107.162 read from T0532.t2k.many.frag # found chain 1y5mA in template set T0532 107 :NVNAYDGLA 1y5mA 179 :MIAPYSASK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25376 # 1v9mA.107.79 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 107 :NVNAYDGLA 1v9mA 80 :AREAVRLLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25377 # 1ct5A.107.9 read from T0532.t2k.many.frag # found chain 1ct5A in template set T0532 107 :NVNAYDGLA 1ct5A 11 :RKTQLIAQY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25378 # 1wa5C.107.135 read from T0532.t2k.many.frag # found chain 1wa5C in template set Warning: unaligning (T0532)G113 (1wa5C)G142 because H (helix) conformation "forbidden" or filtered. T0532 107 :NVNAYD 1wa5C 136 :DMVTNK T0532 114 :LA 1wa5C 143 :VL Number of specific fragments extracted= 2 number of extra gaps= 1 total=25380 1xm9A expands to /projects/compbio/data/pdb/1xm9.pdb.gz 1xm9A:# 1xm9A.107.56 read from T0532.t2k.many.frag # adding 1xm9A to template set # found chain 1xm9A in template set T0532 107 :NVNAYDGLA 1xm9A 300 :NQNVQQAAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25381 # 1kf6D.107.96 read from T0532.t2k.many.frag # found chain 1kf6D in template set Warning: unaligning (T0532)G113 (1kf6D)G102 because H (helix) conformation "forbidden" or filtered. T0532 107 :NVNAYD 1kf6D 96 :GKWVFY T0532 114 :LA 1kf6D 103 :LA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25383 1o5hA expands to /projects/compbio/data/pdb/1o5h.pdb.gz 1o5hA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1o5hA.107.33 read from T0532.t2k.many.frag # adding 1o5hA to template set # found chain 1o5hA in template set T0532 107 :NVNAYDGLA 1o5hA 22 :PGGGAVGSV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25384 # 1wrdA.107.40 read from T0532.t2k.many.frag # found chain 1wrdA in template set T0532 107 :NVNAYDGLA 1wrdA 250 :DLELLQELN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25385 1n1fA expands to /projects/compbio/data/pdb/1n1f.pdb.gz 1n1fA:# 1n1fA.107.78 read from T0532.t2k.many.frag # adding 1n1fA to template set # found chain 1n1fA in template set T0532 107 :NVNAYDGLA 1n1fA 79 :NPKILRKIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25386 # 1ybdA.108.73 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 108 :VNAYDGLAH 1ybdA 76 :ADYMGMMAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25387 # 2a0b.108.55 read from T0532.t2k.many.frag # found chain 2a0b in training set T0532 108 :VNAYDGLAH 2a0b 707 :KKGIVEEGH Number of specific fragments extracted= 1 number of extra gaps= 0 total=25388 # 2f2hA.108.324 read from T0532.t2k.many.frag # found chain 2f2hA in template set Warning: unaligning (T0532)A110 (2f2hA)D327 because D (zeta) conformation "forbidden" or filtered. Warning: unaligning (T0532)G113 (2f2hA)G330 because H (helix) conformation "forbidden" or filtered. T0532 108 :VN 2f2hA 325 :FP T0532 111 :YD 2f2hA 328 :PE T0532 114 :LAH 2f2hA 331 :MIR Number of specific fragments extracted= 3 number of extra gaps= 2 total=25391 # 1cfzA.108.90 read from T0532.t2k.many.frag # found chain 1cfzA in template set T0532 108 :VNAYDGLAH 1cfzA 91 :SPHQLGLAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25392 # 2f2bA.108.99 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 108 :VNAYDGLAH 2f2bA 100 :VVPYIIAQL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25393 # 1nogA.108.82 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 108 :VNAYDGLAH 1nogA 83 :IDYLEARVK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25394 # 1wwiA.108.102 read from T0532.t2k.many.frag # found chain 1wwiA in template set T0532 108 :VNAYDGLAH 1wwiA 103 :VRNLLPELA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25395 # 1vefA.108.284 read from T0532.t2k.many.frag # found chain 1vefA in template set T0532 108 :VNAYDGLAH 1vefA 285 :GGNPLAMAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25396 # 1ps1A.108.113 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 108 :VNAYDGLAH 1ps1A 114 :PPIAHGFAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25397 # 1i6lA.108.234 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 108 :VNAYDGLAH 1i6lA 235 :KPGISNLLN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25398 # 3fapB.108.25 read from T0532.t2k.many.frag # found chain 3fapB in template set T0532 108 :VNAYDGLAH 3fapB 133 :VKGMFEVLE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25399 # 1uddA.108.123 read from T0532.t2k.many.frag # found chain 1uddA in template set Warning: unaligning (T0532)N109 (1uddA)N125 because P (beta_P) conformation "forbidden" or filtered. Warning: unaligning (T0532)G113 (1uddA)G129 because H (helix) conformation "forbidden" or filtered. T0532 108 :V 1uddA 124 :G T0532 110 :AYD 1uddA 126 :IIE T0532 114 :LAH 1uddA 130 :LTA Number of specific fragments extracted= 3 number of extra gaps= 2 total=25402 # 1ijbA.108.131 read from T0532.t2k.many.frag # found chain 1ijbA in training set Warning: unaligning (T0532)V108 (1ijbA)S631 because G (3-10) conformation "forbidden" or filtered. T0532 109 :NAYDGLAH 1ijbA 632 :RNFVRYVQ Number of specific fragments extracted= 1 number of extra gaps= 1 total=25403 # 1gk9A.108.89 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 108 :VNAYDGLAH 1gk9A 90 :MSILQGYAD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25404 # 2d0oA.108.227 read from T0532.t2k.many.frag # found chain 2d0oA in template set T0532 108 :VNAYDGLAH 2d0oA 228 :TKNIVPMAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25405 # 1uwcA.108.10 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 108 :VNAYDGLAH 1uwcA 11 :YNRLVEMAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25406 # 1v9mA.108.80 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 108 :VNAYDGLAH 1v9mA 81 :REAVRLLLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25407 # 1tx4A.108.74 read from T0532.t2k.many.frag # found chain 1tx4A in training set T0532 108 :VNAYDGLAH 1tx4A 111 :YNALHLPAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25408 # 1up8A.108.337 read from T0532.t2k.many.frag # found chain 1up8A in template set T0532 108 :VNAYDGLAH 1up8A 337 :YEAYLNACL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25409 # 1n1fA.108.49 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 108 :VNAYDGLAH 1n1fA 50 :IIKPLDVCC Number of specific fragments extracted= 1 number of extra gaps= 0 total=25410 # 1wpbA.108.107 read from T0532.t2k.many.frag # found chain 1wpbA in template set Warning: unaligning (T0532)G113 (1wpbA)G111 because H (helix) conformation "forbidden" or filtered. T0532 108 :VNAYD 1wpbA 106 :EARYL T0532 114 :LAH 1wpbA 112 :YVR Number of specific fragments extracted= 2 number of extra gaps= 1 total=25412 # 1u7kA.108.67 read from T0532.t2k.many.frag # found chain 1u7kA in template set T0532 108 :VNAYDGLAH 1u7kA 68 :KQRVLLEAR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25413 # 1kf6D.108.97 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 108 :VNAYDGLAH 1kf6D 97 :KWVFYGLAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25414 # 1o5hA.108.34 read from T0532.t2k.many.frag # found chain 1o5hA in template set T0532 108 :VNAYDGLAH 1o5hA 23 :GGGAVGSVV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25415 # 1y5mA.108.163 read from T0532.t2k.many.frag # found chain 1y5mA in template set T0532 108 :VNAYDGLAH 1y5mA 180 :IAPYSASKF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25416 # 1jh6A.108.19 read from T0532.t2k.many.frag # found chain 1jh6A in training set T0532 108 :VNAYDGLAH 1jh6A 20 :EPRFKKLME Number of specific fragments extracted= 1 number of extra gaps= 0 total=25417 # 1fp3A.108.117 read from T0532.t2k.many.frag # found chain 1fp3A in template set T0532 108 :VNAYDGLAH 1fp3A 118 :QRSIFSECF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25418 # 1n1fA.108.79 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 108 :VNAYDGLAH 1n1fA 80 :PKILRKISS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25419 # 1wa5C.108.195 read from T0532.t2k.many.frag # found chain 1wa5C in template set Warning: unaligning (T0532)V108 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE+HIGH_B_FACTOR at template residue (1wa5C)K196 T0532 109 :NAYDGLAH 1wa5C 197 :ASLNILFD Number of specific fragments extracted= 1 number of extra gaps= 0 total=25420 # 1ct5A.108.10 read from T0532.t2k.many.frag # found chain 1ct5A in template set T0532 108 :VNAYDGLAH 1ct5A 12 :KTQLIAQYE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25421 # 1ybdA.109.74 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 109 :NAYDGLAHF 1ybdA 77 :DYMGMMATV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25422 # 2f2hA.109.325 read from T0532.t2k.many.frag # found chain 2f2hA in template set T0532 109 :NAYDGLAHF 2f2hA 326 :PDPEGMIRR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25423 # 2a0b.109.56 read from T0532.t2k.many.frag # found chain 2a0b in training set T0532 109 :NAYDGLAHF 2a0b 708 :KGIVEEGHK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25424 # 1nogA.109.83 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 109 :NAYDGLAHF 1nogA 84 :DYLEARVKE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25425 # 2f2bA.109.100 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 109 :NAYDGLAHF 2f2bA 101 :VPYIIAQLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25426 # 1wwiA.109.103 read from T0532.t2k.many.frag # found chain 1wwiA in template set T0532 109 :NAYDGLAHF 1wwiA 104 :RNLLPELAG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25427 # 1cfzA.109.91 read from T0532.t2k.many.frag # found chain 1cfzA in template set T0532 109 :NAYDGLAHF 1cfzA 92 :PHQLGLADV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25428 # 1vefA.109.285 read from T0532.t2k.many.frag # found chain 1vefA in template set Warning: unaligning (T0532)A110 (1vefA)N287 because P (beta_P) conformation "forbidden" or filtered. T0532 109 :N 1vefA 286 :G T0532 111 :YDGLAHF 1vefA 288 :PLAMAAG Number of specific fragments extracted= 2 number of extra gaps= 1 total=25430 # 1n1fA.109.50 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 109 :NAYDGLAHF 1n1fA 51 :IKPLDVCCV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25431 # 1ps1A.109.114 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 109 :NAYDGLAHF 1ps1A 115 :PIAHGFADI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25432 # 1gk9A.109.90 read from T0532.t2k.many.frag # found chain 1gk9A in training set Warning: unaligning (T0532)G113 (1gk9A)G95 because H (helix) conformation "forbidden" or filtered. T0532 109 :NAYD 1gk9A 91 :SILQ T0532 114 :LAHF 1gk9A 96 :YADG Number of specific fragments extracted= 2 number of extra gaps= 1 total=25434 # 1v9mA.109.81 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 109 :NAYDGLAHF 1v9mA 82 :EAVRLLLLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25435 # 1up8A.109.338 read from T0532.t2k.many.frag # found chain 1up8A in template set T0532 109 :NAYDGLAHF 1up8A 338 :EAYLNACLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25436 1r8gA expands to /projects/compbio/data/pdb/1r8g.pdb.gz 1r8gA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # 1r8gA.109.247 read from T0532.t2k.many.frag # adding 1r8gA to template set # found chain 1r8gA in template set T0532 109 :NAYDGLAHF 1r8gA 248 :SHAVNMAGL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25437 # 1i6lA.109.235 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 109 :NAYDGLAHF 1i6lA 236 :PGISNLLNI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25438 # 1uwcA.109.11 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 109 :NAYDGLAHF 1uwcA 12 :NRLVEMATI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25439 # 1o5hA.109.35 read from T0532.t2k.many.frag # found chain 1o5hA in template set T0532 109 :NAYDGLAHF 1o5hA 24 :GGAVGSVVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25440 # 3fapB.109.26 read from T0532.t2k.many.frag # found chain 3fapB in template set Warning: unaligning (T0532)F117 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3fapB)L143 T0532 109 :NAYDGLAH 3fapB 134 :KGMFEVLE Number of specific fragments extracted= 1 number of extra gaps= 1 total=25441 # 1uddA.109.124 read from T0532.t2k.many.frag # found chain 1uddA in template set T0532 109 :NAYDGLAHF 1uddA 125 :NIIEGLTAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25442 # 1wa5C.109.196 read from T0532.t2k.many.frag # found chain 1wa5C in template set T0532 109 :NAYDGLAHF 1wa5C 197 :ASLNILFDV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25443 # 1n1fA.109.80 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 109 :NAYDGLAHF 1n1fA 81 :KILRKISSI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25444 # 1kf6D.109.98 read from T0532.t2k.many.frag # found chain 1kf6D in template set Warning: unaligning (T0532)G113 (1kf6D)G102 because H (helix) conformation "forbidden" or filtered. T0532 109 :NAYD 1kf6D 98 :WVFY T0532 114 :LAHF 1kf6D 103 :LAAI Number of specific fragments extracted= 2 number of extra gaps= 1 total=25446 # 1tx4A.109.75 read from T0532.t2k.many.frag # found chain 1tx4A in training set T0532 109 :NAYDGLAHF 1tx4A 112 :NALHLPAVI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25447 # 2d0oA.109.228 read from T0532.t2k.many.frag # found chain 2d0oA in template set Warning: unaligning (T0532)Y111 (2d0oA)I231 because G (3-10) conformation "forbidden" or filtered. T0532 109 :NA 2d0oA 229 :KN T0532 112 :DGLAHF 2d0oA 232 :VPMARA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25449 # 1xm9A.109.58 read from T0532.t2k.many.frag # found chain 1xm9A in template set T0532 109 :NAYDGLAHF 1xm9A 302 :NVQQAAAGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25450 # 1u7kA.109.68 read from T0532.t2k.many.frag # found chain 1u7kA in template set T0532 109 :NAYDGLAHF 1u7kA 69 :QRVLLEARK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25451 # 1ed1A.109.76 read from T0532.t2k.many.frag # found chain 1ed1A in template set T0532 109 :NAYDGLAHF 1ed1A 77 :SLYNTVCVI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25452 # 1j79A.109.147 read from T0532.t2k.many.frag # found chain 1j79A in training set T0532 109 :NAYDGLAHF 1j79A 148 :DIFDREARF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25453 # 1fp3A.109.118 read from T0532.t2k.many.frag # found chain 1fp3A in template set Warning: unaligning (T0532)A110 (1fp3A)S120 because Y (epsilon') conformation "forbidden" or filtered. T0532 109 :N 1fp3A 119 :R T0532 111 :YDGLAHF 1fp3A 121 :IFSECFY Number of specific fragments extracted= 2 number of extra gaps= 1 total=25455 1yarA expands to /projects/compbio/data/pdb/1yar.pdb.gz 1yarA:Skipped atom 82, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 84, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 86, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 90, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 98, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 133, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 135, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 137, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 139, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 141, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 143, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 145, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 147, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 151, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 153, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 453, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 455, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 457, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 459, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 461, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 463, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 465, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 467, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 469, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 532, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 534, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 536, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 538, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 540, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 542, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 544, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 571, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 573, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 575, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 577, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 579, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 581, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 583, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 996, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 998, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1000, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1002, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1004, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1006, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1163, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1165, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1167, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1169, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1171, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1173, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1175, because occupancy 0.500 <= existing 0.500 in 1yarA Skipped atom 1177, because occupancy 0.500 <= existing 0.500 in 1yarA # 1yarA.109.184 read from T0532.t2k.many.frag # adding 1yarA to template set # found chain 1yarA in template set T0532 109 :NAYDGLAHF 1yarA 185 :PEKEAVTLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25456 # 1ybdA.110.75 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 110 :AYDGLAHFI 1ybdA 78 :YMGMMATVM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25457 # 2f2hA.110.326 read from T0532.t2k.many.frag # found chain 2f2hA in template set T0532 110 :AYDGLAHFI 2f2hA 327 :DPEGMIRRL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25458 # 1nogA.110.84 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 110 :AYDGLAHFI 1nogA 85 :YLEARVKEM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25459 # 1wwiA.110.104 read from T0532.t2k.many.frag # found chain 1wwiA in template set T0532 110 :AYDGLAHFI 1wwiA 105 :NLLPELAGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25460 # 2a0b.110.57 read from T0532.t2k.many.frag # found chain 2a0b in training set Warning: unaligning (T0532)H116 (2a0b)H715 because H (helix) conformation "forbidden" or filtered. T0532 110 :AYDGLA 2a0b 709 :GIVEEG T0532 117 :FI 2a0b 716 :KI Number of specific fragments extracted= 2 number of extra gaps= 1 total=25462 # 2f2bA.110.101 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 110 :AYDGLAHFI 2f2bA 102 :PYIIAQLLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25463 1m6eX expands to /projects/compbio/data/pdb/1m6e.pdb.gz 1m6eX:# 1m6eX.110.299 read from T0532.t2k.many.frag # adding 1m6eX to template set # found chain 1m6eX in template set T0532 110 :AYDGLAHFI 1m6eX 300 :EGYNVARCM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25464 # 1vefA.110.286 read from T0532.t2k.many.frag # found chain 1vefA in template set T0532 110 :AYDGLAHFI 1vefA 287 :NPLAMAAGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25465 # 1gk9A.110.91 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 110 :AYDGLAHFI 1gk9A 92 :ILQGYADGM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25466 # 1o5hA.110.36 read from T0532.t2k.many.frag # found chain 1o5hA in template set T0532 110 :AYDGLAHFI 1o5hA 25 :GAVGSVVGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25467 # 1r8gA.110.248 read from T0532.t2k.many.frag # found chain 1r8gA in template set T0532 110 :AYDGLAHFI 1r8gA 249 :HAVNMAGLI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25468 # 1v9mA.110.82 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 110 :AYDGLAHFI 1v9mA 83 :AVRLLLLRN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25469 # 1ps1A.110.115 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 110 :AYDGLAHFI 1ps1A 116 :IAHGFADIW Number of specific fragments extracted= 1 number of extra gaps= 0 total=25470 # 1n1fA.110.51 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 110 :AYDGLAHFI 1n1fA 52 :KPLDVCCVT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25471 # 1cfzA.110.92 read from T0532.t2k.many.frag # found chain 1cfzA in template set T0532 110 :AYDGLAHFI 1cfzA 93 :HQLGLADVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25472 # 1uwcA.110.12 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 110 :AYDGLAHFI 1uwcA 13 :RLVEMATIS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25473 # 1up8A.110.339 read from T0532.t2k.many.frag # found chain 1up8A in template set T0532 110 :AYDGLAHFI 1up8A 339 :AYLNACLIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25474 # 1wa5C.110.197 read from T0532.t2k.many.frag # found chain 1wa5C in template set T0532 110 :AYDGLAHFI 1wa5C 198 :SLNILFDVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25475 # 1wy5A.110.221 read from T0532.t2k.many.frag # found chain 1wy5A in template set T0532 110 :AYDGLAHFI 1wy5A 222 :TFLKMVKVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25476 # 1kf6D.110.99 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 110 :AYDGLAHFI 1kf6D 99 :VFYGLAAIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25477 # 1xm9A.110.59 read from T0532.t2k.many.frag # found chain 1xm9A in template set T0532 110 :AYDGLAHFI 1xm9A 303 :VQQAAAGAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25478 # 1i6lA.110.236 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 110 :AYDGLAHFI 1i6lA 237 :GISNLLNIY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25479 # 1n1fA.110.81 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 110 :AYDGLAHFI 1n1fA 82 :ILRKISSIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25480 1y42X expands to /projects/compbio/data/pdb/1y42.pdb.gz 1y42X:# 1y42X.110.210 read from T0532.t2k.many.frag # adding 1y42X to template set # found chain 1y42X in template set T0532 110 :AYDGLAHFI 1y42X 242 :FAEFTYPIM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25481 # 3fapB.110.27 read from T0532.t2k.many.frag # found chain 3fapB in template set Warning: unaligning (T0532)F117 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (3fapB)L143 Warning: unaligning (T0532)I118 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (3fapB)L143 T0532 110 :AYDGLAH 3fapB 135 :GMFEVLE Number of specific fragments extracted= 1 number of extra gaps= 1 total=25482 # 1w2yA.110.69 read from T0532.t2k.many.frag # found chain 1w2yA in training set T0532 110 :AYDGLAHFI 1w2yA 70 :NVRIEIVDI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25483 1xeqA expands to /projects/compbio/data/pdb/1xeq.pdb.gz 1xeqA:# 1xeqA.110.19 read from T0532.t2k.many.frag # adding 1xeqA to template set # found chain 1xeqA in template set T0532 110 :AYDGLAHFI 1xeqA 20 :TINFEAGIL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25484 # 1yarA.110.185 read from T0532.t2k.many.frag # found chain 1yarA in template set T0532 110 :AYDGLAHFI 1yarA 186 :EKEAVTLGI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25485 # 1wrdA.110.43 read from T0532.t2k.many.frag # found chain 1wrdA in template set T0532 110 :AYDGLAHFI 1wrdA 253 :LLQELNRTC Number of specific fragments extracted= 1 number of extra gaps= 0 total=25486 # 1wpbA.110.109 read from T0532.t2k.many.frag # found chain 1wpbA in template set T0532 110 :AYDGLAHFI 1wpbA 108 :RYLGYVRFM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25487 # 1ybdA.111.76 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 111 :YDGLAHFIK 1ybdA 79 :MGMMATVMN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25488 # 2f2hA.111.327 read from T0532.t2k.many.frag # found chain 2f2hA in template set T0532 111 :YDGLAHFIK 2f2hA 328 :PEGMIRRLK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25489 # 1m6eX.111.300 read from T0532.t2k.many.frag # found chain 1m6eX in template set Warning: unaligning (T0532)D112 (1m6eX)Y302 because T (delta_L) conformation "forbidden" or filtered. T0532 111 :Y 1m6eX 301 :G T0532 113 :GLAHFIK 1m6eX 303 :NVARCMR Number of specific fragments extracted= 2 number of extra gaps= 1 total=25491 # 1nogA.111.85 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 111 :YDGLAHFIK 1nogA 86 :LEARVKEMK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25492 # 2a0b.111.58 read from T0532.t2k.many.frag # found chain 2a0b in training set Warning: unaligning (T0532)H116 (2a0b)H715 because H (helix) conformation "forbidden" or filtered. T0532 111 :YDGLA 2a0b 710 :IVEEG T0532 117 :FIK 2a0b 716 :KIK Number of specific fragments extracted= 2 number of extra gaps= 1 total=25494 # 1wwiA.111.105 read from T0532.t2k.many.frag # found chain 1wwiA in template set T0532 111 :YDGLAHFIK 1wwiA 106 :LLPELAGAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25495 # 2f2bA.111.102 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 111 :YDGLAHFIK 2f2bA 103 :YIIAQLLGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25496 # 1o5hA.111.37 read from T0532.t2k.many.frag # found chain 1o5hA in template set T0532 111 :YDGLAHFIK 1o5hA 26 :AVGSVVGAM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25497 # 1r8gA.111.249 read from T0532.t2k.many.frag # found chain 1r8gA in template set T0532 111 :YDGLAHFIK 1r8gA 250 :AVNMAGLIQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25498 # 1ps1A.111.116 read from T0532.t2k.many.frag # found chain 1ps1A in template set T0532 111 :YDGLAHFIK 1ps1A 117 :AHGFADIWR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25499 # 1v9mA.111.83 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 111 :YDGLAHFIK 1v9mA 84 :VRLLLLRND Number of specific fragments extracted= 1 number of extra gaps= 0 total=25500 # 1gk9A.111.92 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 111 :YDGLAHFIK 1gk9A 93 :LQGYADGMN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25501 # 1vefA.111.287 read from T0532.t2k.many.frag # found chain 1vefA in template set T0532 111 :YDGLAHFIK 1vefA 288 :PLAMAAGVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25502 # 1n1fA.111.52 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 111 :YDGLAHFIK 1n1fA 53 :PLDVCCVTK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25503 # 1y42X.111.211 read from T0532.t2k.many.frag # found chain 1y42X in template set T0532 111 :YDGLAHFIK 1y42X 243 :AEFTYPIMQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25504 # 1uwcA.111.13 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 111 :YDGLAHFIK 1uwcA 14 :LVEMATISQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25505 # 1up8A.111.340 read from T0532.t2k.many.frag # found chain 1up8A in template set T0532 111 :YDGLAHFIK 1up8A 340 :YLNACLILL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25506 # 1wy5A.111.222 read from T0532.t2k.many.frag # found chain 1wy5A in template set T0532 111 :YDGLAHFIK 1wy5A 223 :FLKMVKVLR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25507 # 1xm9A.111.60 read from T0532.t2k.many.frag # found chain 1xm9A in template set T0532 111 :YDGLAHFIK 1xm9A 304 :QQAAAGALR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25508 # 1wa5C.111.198 read from T0532.t2k.many.frag # found chain 1wa5C in template set T0532 111 :YDGLAHFIK 1wa5C 199 :LNILFDVLL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25509 # 1n1fA.111.82 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 111 :YDGLAHFIK 1n1fA 83 :LRKISSIAN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25510 # 1kf6D.111.100 read from T0532.t2k.many.frag # found chain 1kf6D in template set T0532 111 :YDGLAHFIK 1kf6D 100 :FYGLAAILT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25511 # 1w2yA.111.70 read from T0532.t2k.many.frag # found chain 1w2yA in training set T0532 111 :YDGLAHFIK 1w2yA 71 :VRIEIVDIW Number of specific fragments extracted= 1 number of extra gaps= 0 total=25512 # 1wrdA.111.44 read from T0532.t2k.many.frag # found chain 1wrdA in template set T0532 111 :YDGLAHFIK 1wrdA 254 :LQELNRTCR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25513 # 1i6lA.111.237 read from T0532.t2k.many.frag # found chain 1i6lA in training set T0532 111 :YDGLAHFIK 1i6lA 238 :ISNLLNIYS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25514 # 1j77A.111.172 read from T0532.t2k.many.frag # found chain 1j77A in training set T0532 111 :YDGLAHFIK 1j77A 173 :AIQGAREAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25515 # 1zb1A.111.120 read from T0532.t2k.many.frag # found chain 1zb1A in template set T0532 111 :YDGLAHFIK 1zb1A 116 :EKSCTLFNI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25516 # 1yarA.111.186 read from T0532.t2k.many.frag # found chain 1yarA in template set T0532 111 :YDGLAHFIK 1yarA 187 :KEAVTLGIK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25517 1w8sA expands to /projects/compbio/data/pdb/1w8s.pdb.gz 1w8sA:Skipped atom 270, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 271, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 272, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 273, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 791, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 792, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 1676, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 1677, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 1678, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 1679, because occupancy 0.350 <= existing 0.650 in 1w8sA Skipped atom 1680, because occupancy 0.350 <= existing 0.650 in 1w8sA # 1w8sA.111.160 read from T0532.t2k.many.frag # adding 1w8sA to template set # found chain 1w8sA in template set T0532 111 :YDGLAHFIK 1w8sA 161 :VAYAARIAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25518 # 1cfzA.111.93 read from T0532.t2k.many.frag # found chain 1cfzA in template set T0532 111 :YDGLAHFIK 1cfzA 94 :QLGLADVLS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25519 # 1ybdA.112.77 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 112 :DGLAHFIKA 1ybdA 80 :GMMATVMNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25520 # 1m6eX.112.301 read from T0532.t2k.many.frag # found chain 1m6eX in template set T0532 112 :DGLAHFIKA 1m6eX 302 :YNVARCMRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25521 # 2f2hA.112.328 read from T0532.t2k.many.frag # found chain 2f2hA in template set Warning: unaligning (T0532)G113 (2f2hA)G330 because H (helix) conformation "forbidden" or filtered. T0532 112 :D 2f2hA 329 :E T0532 114 :LAHFIKA 2f2hA 331 :MIRRLKA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25523 # 1y42X.112.212 read from T0532.t2k.many.frag # found chain 1y42X in template set T0532 112 :DGLAHFIKA 1y42X 244 :EFTYPIMQG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25524 # 1o5hA.112.38 read from T0532.t2k.many.frag # found chain 1o5hA in template set Warning: unaligning (T0532)G113 (1o5hA)G28 because H (helix) conformation "forbidden" or filtered. T0532 112 :D 1o5hA 27 :V T0532 114 :LAHFIKA 1o5hA 29 :SVVGAMA Number of specific fragments extracted= 2 number of extra gaps= 1 total=25526 # 1nogA.112.86 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 112 :DGLAHFIKA 1nogA 87 :EARVKEMKA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25527 # 2a0b.112.59 read from T0532.t2k.many.frag # found chain 2a0b in training set T0532 112 :DGLAHFIKA 2a0b 711 :VEEGHKIKG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25528 # 1r8gA.112.250 read from T0532.t2k.many.frag # found chain 1r8gA in template set T0532 112 :DGLAHFIKA 1r8gA 251 :VNMAGLIQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25529 # 1vefA.112.288 read from T0532.t2k.many.frag # found chain 1vefA in template set T0532 112 :DGLAHFIKA 1vefA 289 :LAMAAGVAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25530 # 1wwiA.112.106 read from T0532.t2k.many.frag # found chain 1wwiA in template set T0532 112 :DGLAHFIKA 1wwiA 107 :LPELAGALV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25531 # 1n1fA.112.53 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 112 :DGLAHFIKA 1n1fA 54 :LDVCCVTKN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25532 # 1v9mA.112.84 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 112 :DGLAHFIKA 1v9mA 85 :RLLLLRNDL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25533 # 1ps1A.112.117 read from T0532.t2k.many.frag # found chain 1ps1A in template set Warning: unaligning (T0532)G113 (1ps1A)G119 because H (helix) conformation "forbidden" or filtered. T0532 112 :D 1ps1A 118 :H T0532 114 :LAHFIKA 1ps1A 120 :FADIWRR Number of specific fragments extracted= 2 number of extra gaps= 1 total=25535 # 1gk9A.112.93 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 112 :DGLAHFIKA 1gk9A 94 :QGYADGMNA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25536 # 1zb1A.112.121 read from T0532.t2k.many.frag # found chain 1zb1A in template set T0532 112 :DGLAHFIKA 1zb1A 117 :KSCTLFNIA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25537 # 1wy5A.112.223 read from T0532.t2k.many.frag # found chain 1wy5A in template set T0532 112 :DGLAHFIKA 1wy5A 224 :LKMVKVLRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25538 # 2f2bA.112.103 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 112 :DGLAHFIKA 2f2bA 104 :IIAQLLGAA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25539 # 1xm9A.112.61 read from T0532.t2k.many.frag # found chain 1xm9A in template set T0532 112 :DGLAHFIKA 1xm9A 305 :QAAAGALRN Number of specific fragments extracted= 1 number of extra gaps= 0 total=25540 # 1n1fA.112.83 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 112 :DGLAHFIKA 1n1fA 84 :RKISSIANS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25541 # 1uwcA.112.14 read from T0532.t2k.many.frag # found chain 1uwcA in training set T0532 112 :DGLAHFIKA 1uwcA 15 :VEMATISQA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25542 # 1wa5C.112.199 read from T0532.t2k.many.frag # found chain 1wa5C in template set T0532 112 :DGLAHFIKA 1wa5C 200 :NILFDVLLV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25543 # 1up8A.112.341 read from T0532.t2k.many.frag # found chain 1up8A in template set T0532 112 :DGLAHFIKA 1up8A 341 :LNACLILLA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25544 # 1j77A.112.173 read from T0532.t2k.many.frag # found chain 1j77A in training set T0532 112 :DGLAHFIKA 1j77A 174 :IQGAREAFA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25545 # 1w2yA.112.71 read from T0532.t2k.many.frag # found chain 1w2yA in training set T0532 112 :DGLAHFIKA 1w2yA 72 :RIEIVDIWH Number of specific fragments extracted= 1 number of extra gaps= 0 total=25546 2fqxA expands to /projects/compbio/data/pdb/2fqx.pdb.gz 2fqxA:Skipped atom 512, because occupancy 0.450 <= existing 0.550 in 2fqxA Skipped atom 514, because occupancy 0.450 <= existing 0.550 in 2fqxA Skipped atom 516, because occupancy 0.450 <= existing 0.550 in 2fqxA Skipped atom 518, because occupancy 0.450 <= existing 0.550 in 2fqxA Skipped atom 520, because occupancy 0.450 <= existing 0.550 in 2fqxA Skipped atom 522, because occupancy 0.450 <= existing 0.550 in 2fqxA Skipped atom 767, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 769, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 771, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 773, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 775, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 777, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 779, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 781, because occupancy 0.410 <= existing 0.590 in 2fqxA Skipped atom 1053, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1055, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1057, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1059, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1061, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1063, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1065, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1067, because occupancy 0.470 <= existing 0.530 in 2fqxA Skipped atom 1073, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1075, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1077, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1079, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1081, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1083, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1085, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1087, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1306, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1308, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1310, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1312, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1314, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1316, because occupancy 0.460 <= existing 0.540 in 2fqxA Skipped atom 1945, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1947, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1949, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1951, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1953, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1955, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1957, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1959, because occupancy 0.480 <= existing 0.520 in 2fqxA Skipped atom 1976, because occupancy 0.490 <= existing 0.510 in 2fqxA Skipped atom 1978, because occupancy 0.490 <= existing 0.510 in 2fqxA Skipped atom 1980, because occupancy 0.490 <= existing 0.510 in 2fqxA Skipped atom 1982, because occupancy 0.490 <= existing 0.510 in 2fqxA Skipped atom 1984, because occupancy 0.490 <= existing 0.510 in 2fqxA Skipped atom 1986, because occupancy 0.490 <= existing 0.510 in 2fqxA Skipped atom 1988, because occupancy 0.490 <= existing 0.510 in 2fqxA Skipped atom 1990, because occupancy 0.490 <= existing 0.510 in 2fqxA # 2fqxA.112.108 read from T0532.t2k.many.frag # adding 2fqxA to template set # found chain 2fqxA in template set T0532 112 :DGLAHFIKA 2fqxA 124 :QNEGSFLVG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25547 # 1t1uA.112.124 read from T0532.t2k.many.frag # found chain 1t1uA in template set Warning: unaligning (T0532)A120 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1t1uA)L135 T0532 112 :DGLAHFIK 1t1uA 126 :FAACLISG Number of specific fragments extracted= 1 number of extra gaps= 1 total=25548 # 1nox.112.132 read from T0532.t2k.many.frag # found chain 1nox in training set T0532 112 :DGLAHFIKA 1nox 133 :SGQSYILLG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25549 1ezfA expands to /projects/compbio/data/pdb/1ezf.pdb.gz 1ezfA:# 1ezfA.112.255 read from T0532.t2k.many.frag # adding 1ezfA to template set # found chain 1ezfA in template set T0532 112 :DGLAHFIKA 1ezfA 286 :FNFCAIPQV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25550 1sz2A expands to /projects/compbio/data/pdb/1sz2.pdb.gz 1sz2A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 533, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 535, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 537, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 539, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 652, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 654, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 656, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 658, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 660, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1311, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 1313, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 1315, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 1317, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 1319, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1825, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1827, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1829, because occupancy 0.500 <= existing 0.500 in 1sz2A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1831, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 2309, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 2311, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 2313, because occupancy 0.500 <= existing 0.500 in 1sz2A Skipped atom 2315, because occupancy 0.500 <= existing 0.500 in 1sz2A # 1sz2A.112.244 read from T0532.t2k.many.frag # adding 1sz2A to template set # found chain 1sz2A in template set T0532 112 :DGLAHFIKA 1sz2A 234 :LSLFCVIMG Number of specific fragments extracted= 1 number of extra gaps= 0 total=25551 # 1wrdA.112.45 read from T0532.t2k.many.frag # found chain 1wrdA in template set T0532 112 :DGLAHFIKA 1wrdA 255 :QELNRTCRA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25552 # 1ybdA.113.78 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 113 :GLAHFIKAY 1ybdA 81 :MMATVMNAL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25553 # 1m6eX.113.302 read from T0532.t2k.many.frag # found chain 1m6eX in template set T0532 113 :GLAHFIKAY 1m6eX 303 :NVARCMRAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25554 # 1y42X.113.213 read from T0532.t2k.many.frag # found chain 1y42X in template set T0532 113 :GLAHFIKAY 1y42X 245 :FTYPIMQGW Number of specific fragments extracted= 1 number of extra gaps= 0 total=25555 # 1o5hA.113.39 read from T0532.t2k.many.frag # found chain 1o5hA in template set Warning: unaligning (T0532)G113 (1o5hA)G28 because H (helix) conformation "forbidden" or filtered. T0532 114 :LAHFIKAY 1o5hA 29 :SVVGAMAC Number of specific fragments extracted= 1 number of extra gaps= 1 total=25556 # 1vefA.113.289 read from T0532.t2k.many.frag # found chain 1vefA in template set T0532 113 :GLAHFIKAY 1vefA 290 :AMAAGVAAI Number of specific fragments extracted= 1 number of extra gaps= 0 total=25557 # 1r8gA.113.251 read from T0532.t2k.many.frag # found chain 1r8gA in template set T0532 113 :GLAHFIKAY 1r8gA 252 :NMAGLIQAT Number of specific fragments extracted= 1 number of extra gaps= 0 total=25558 # 1n1fA.113.54 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 113 :GLAHFIKAY 1n1fA 55 :DVCCVTKNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25559 # 1v9mA.113.85 read from T0532.t2k.many.frag # found chain 1v9mA in template set T0532 113 :GLAHFIKAY 1v9mA 86 :LLLLRNDLH Number of specific fragments extracted= 1 number of extra gaps= 0 total=25560 # 1wwiA.113.107 read from T0532.t2k.many.frag # found chain 1wwiA in template set T0532 113 :GLAHFIKAY 1wwiA 108 :PELAGALVV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25561 # 2f2hA.113.329 read from T0532.t2k.many.frag # found chain 2f2hA in template set T0532 113 :GLAHFIKAY 2f2hA 330 :GMIRRLKAK Number of specific fragments extracted= 1 number of extra gaps= 0 total=25562 # 1nogA.113.87 read from T0532.t2k.many.frag # found chain 1nogA in training set T0532 113 :GLAHFIKAY 1nogA 88 :ARVKEMKAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25563 # 1zb1A.113.122 read from T0532.t2k.many.frag # found chain 1zb1A in template set T0532 113 :GLAHFIKAY 1zb1A 118 :SCTLFNIAV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25564 # 2a0b.113.60 read from T0532.t2k.many.frag # found chain 2a0b in training set T0532 113 :GLAHFIKAY 2a0b 712 :EEGHKIKGA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25565 # 1wy5A.113.224 read from T0532.t2k.many.frag # found chain 1wy5A in template set T0532 113 :GLAHFIKAY 1wy5A 225 :KMVKVLRAE Number of specific fragments extracted= 1 number of extra gaps= 0 total=25566 # 2fqxA.113.109 read from T0532.t2k.many.frag # found chain 2fqxA in template set T0532 113 :GLAHFIKAY 2fqxA 125 :NEGSFLVGV Number of specific fragments extracted= 1 number of extra gaps= 0 total=25567 # 1n1fA.113.84 read from T0532.t2k.many.frag # found chain 1n1fA in template set T0532 113 :GLAHFIKAY 1n1fA 85 :KISSIANSF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25568 # 1xm9A.113.62 read from T0532.t2k.many.frag # found chain 1xm9A in template set T0532 113 :GLAHFIKAY 1xm9A 306 :AAAGALRNL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25569 # 1gk9A.113.94 read from T0532.t2k.many.frag # found chain 1gk9A in training set T0532 113 :GLAHFIKAY 1gk9A 95 :GYADGMNAW Number of specific fragments extracted= 1 number of extra gaps= 0 total=25570 # 2f2bA.113.104 read from T0532.t2k.many.frag # found chain 2f2bA in template set T0532 113 :GLAHFIKAY 2f2bA 105 :IAQLLGAAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25571 # 1j77A.113.174 read from T0532.t2k.many.frag # found chain 1j77A in training set T0532 113 :GLAHFIKAY 1j77A 175 :QGAREAFAF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25572 # 1wa5C.113.200 read from T0532.t2k.many.frag # found chain 1wa5C in template set T0532 113 :GLAHFIKAY 1wa5C 201 :ILFDVLLVL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25573 # 1ps1A.113.118 read from T0532.t2k.many.frag # found chain 1ps1A in template set Warning: unaligning (T0532)G113 (1ps1A)G119 because H (helix) conformation "forbidden" or filtered. T0532 114 :LAHFIKAY 1ps1A 120 :FADIWRRT Number of specific fragments extracted= 1 number of extra gaps= 1 total=25574 # 1ezfA.113.256 read from T0532.t2k.many.frag # found chain 1ezfA in template set T0532 113 :GLAHFIKAY 1ezfA 287 :NFCAIPQVM Number of specific fragments extracted= 1 number of extra gaps= 0 total=25575 # 1t1uA.113.125 read from T0532.t2k.many.frag # found chain 1t1uA in template set Warning: unaligning (T0532)A120 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1t1uA)L135 Warning: unaligning (T0532)Y121 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1t1uA)L135 T0532 113 :GLAHFIK 1t1uA 127 :AACLISG Number of specific fragments extracted= 1 number of extra gaps= 1 total=25576 # 1sz2A.113.245 read from T0532.t2k.many.frag # found chain 1sz2A in template set T0532 113 :GLAHFIKAY 1sz2A 235 :SLFCVIMGR Number of specific fragments extracted= 1 number of extra gaps= 0 total=25577 # 1w2yA.113.72 read from T0532.t2k.many.frag # found chain 1w2yA in training set T0532 113 :GLAHFIKAY 1w2yA 73 :IEIVDIWHF Number of specific fragments extracted= 1 number of extra gaps= 0 total=25578 # 1nox.113.133 read from T0532.t2k.many.frag # found chain 1nox in training set T0532 113 :GLAHFIKAY 1nox 134 :GQSYILLGY Number of specific fragments extracted= 1 number of extra gaps= 0 total=25579 # 1lshA.113.412 read from T0532.t2k.many.frag # found chain 1lshA in template set T0532 113 :GLAHFIKAY 1lshA 429 :KTAVLGYGS Number of specific fragments extracted= 1 number of extra gaps= 0 total=25580 # 1w8sA.113.162 read from T0532.t2k.many.frag # found chain 1w8sA in template set T0532 113 :GLAHFIKAY 1w8sA 163 :YAARIALEL Number of specific fragments extracted= 1 number of extra gaps= 0 total=25581 2d2sA expands to /projects/compbio/data/pdb/2d2s.pdb.gz 2d2sA:# 2d2sA.113.139 read from T0532.t2k.many.frag # adding 2d2sA to template set # found chain 2d2sA in template set T0532 113 :GLAHFIKAY 2d2sA 658 :TQLAVIRFQ Number of specific fragments extracted= 1 number of extra gaps= 0 total=25582 # 1m6eX.114.303 read from T0532.t2k.many.frag # found chain 1m6eX in template set T0532 114 :LAHFIKAYK 1m6eX 304 :VARCMRAVA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25583 # 1ybdA.114.79 read from T0532.t2k.many.frag # found chain 1ybdA in template set T0532 114 :LAHFIKAYK 1ybdA 82 :MATVMNALA Number of specific fragments extracted= 1 number of extra gaps= 0 total=25584 # 1y42X.114.214 read from T0532.t2k.many.frag # found chain 1y42X in template set T0532 114 :LAHFIKAYK 1y42X 246 :TYPIMQGWD Number of specific fragments extracted= 1 num