# command:# Seed set to 1031989236 # command:# Prefix for input files set to # command:# reading script from file define-score.script # Prefix for input files set to /projects/kestrel/users/karplus/burial/undertaker/atoms-inputs/ # reading monomeric-50pc.atoms # After reading monomeric-50pc.atoms have 448 chains in training database # 111547 residues have no bad marker # 670 residues lack atoms needed to compute omega # 322 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 6 # HAS_OXT 325 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 523 # HAS_UNKNOWN_ATOMS 2 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 208 # NON_PLANAR_PEPTIDE 28 # Note: may sum to more than number of residues, # because one residue may have multiple problems # Reading rotamer library from monomeric-50pc.rot # Prefix for input files set to /projects/kestrel/users/karplus/burial/undertaker/spots/ # ReadAtomType pdb-name.types Read AtomType pdb-name with 37 types. # ReadClashTable pdb-atom-name.clash # Read ClashTable pdb-atom-name Reading spots from monomeric-50pc-dry-5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-5.hist # created burial cost function dry5 with radius 5 Reading spots from monomeric-50pc-wet-6.5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-wet-6.5.hist # created burial cost function wet6.5 with radius 6.5 Reading spots from monomeric-50pc-dry-6.5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-6.5.hist # created burial cost function dry6.5 with radius 6.5 Reading spots from monomeric-50pc-generic-6.5.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-generic-6.5.hist # created burial cost function gen6.5 with radius 6.5 Reading spots from monomeric-50pc-dry-8.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-8.hist # created burial cost function dry8 with radius 8 Reading spots from monomeric-50pc-dry-10.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-10.hist # created burial cost function dry10 with radius 10 Reading spots from monomeric-50pc-dry-12.spot. Read prototypes from /projects/kestrel/users/karplus/burial/undertaker/spots/../normalize_prototypes/prototypes # reading histogram from smoothed-monomeric-50pc-dry-12.hist # created burial cost function dry12 with radius 12 # reading histogram from monomeric-smoothed-alpha.hist # created alpha cost function alpha with offset 0 and 360 bins # reading histogram from monomeric-smoothed-alpha-1.hist # created alpha cost function alpha_prev with offset -1 and 360 bins CPU_time= 10940 msec, elapsed time= 12075 msec) # Prefix for input files set to # Reading target chain from PDB file T0187.blank.pdb Read PDB file T0187.blank.pdb as target. Have 150 residues and 1122 atoms. # No conformations to remove in PopConform # Prefix for input files set to /projects/compbio/lib/alphabet/ # Read 3 alphabets from alpha.alphabet # Prefix for input files set to # reading predictions from T0187.t2k.alpha.rdb # created predicted alpha cost function pred_alpha2 with 360 bins # SetCost created cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # command:CPU_time= 15330 msec, elapsed time= 16510.9 msec) # command:# Making generic fragment library # fragment library contains # type length num_fragments num_indexes_used # n-terminus 1 407 20 (100%) # n-terminus 2 408 196 (49%) # middle 1 109496 20 (100%) # middle 2 108592 400 (100%) # middle 3 107719 7822 (97.775%) # middle 4 106865 64233 (40.1456%) # c-terminus 1 408 20 (100%) # c-terminus 2 406 227 (56.75%) # ss-bonds 409 # command:CPU_time= 20280 msec, elapsed time= 21463.1 msec) # command:# Prefix for output files set to decoys/ # command:# created conformation for T0187 from sequence in target chain replacing old conformation. # command:# naming current conformation T0187.rand # command:CPU_time= 20280 msec, elapsed time= 21466.5 msec) # command:# Prefix for input files set to # command:Warning: Couldn't open file Template.atoms or Template.atoms.gz for input Error: Trying Template.atoms Error: Couldn't open file Template.atoms or Template.atoms.gz for input # command:# reading script from file T0187.t2k.undertaker-align.script # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # adding 1jmxA to template set 1jmxA:# found chain 1jmxA in template set T0187 3 :AW 1jmxA 16 :HI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 9 :TSEDALKVLEKYGIETSESVKRAIL 1jmxA 37 :WLMSIARMQVMHGLQISDDDRRTLV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.59292 Ang T2.CB and L26.CD2 other bump:2.91828 Ang T2.CG2 and L26.CD2 other bump:2.79506 Ang A6.CB and K22.NZ other bump:2.72017 Ang L10.CD2 and I15.C other bump:1.91257 Ang L10.CD2 and I15.O other bump:3.04468 Ang V9.CB and I15.CD1 other bump:2.58607 Ang V9.CG1 and I15.CD1 other bump:1.9799 Ang V9.CG1 and I15.CG2 other bump:2.76732 Ang V9.CG1 and I15.CG1 other bump:2.64152 Ang L10.CD2 and I15.CG1 other bump:2.8687 Ang V9.CG1 and I15.CB T0187 34 :QETPKHLSNV 1jmxA 69 :GLAPSETDGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.04342 Ang E3.OE1 and L8.CD2 other bump:2.1315 Ang T4.OG1 and H7.CD2 T0187 50 :NVQKVCDEAKSLAKEK 1jmxA 114 :RPAKEWEHLVNFHLGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 73 :TTSLD 1jmxA 130 :WPSLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 78 :CEAREAGR 1jmxA 142 :RDWLPIAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 86 :FIASIMKE 1jmxA 152 :VVPDLAKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.8422 Ang F2.CE1 and I6.CD1 other bump:2.29825 Ang F2.CZ and I6.CD1 other bump:2.12084 Ang F2.CE2 and I6.CD1 other bump:2.52315 Ang F2.CD2 and I6.CD1 T0187 99 :RPL 1jmxA 160 :YPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 102 :KKP 1jmxA 385 :SVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :AALIF 1jmxA 395 :AEAWG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.75694 Ang F6.CD1 and G7.N T0187 110 :GGET 1jmxA 403 :NGQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 114 :VVHVKGNG 1jmxA 415 :SWKVEPFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 128 :ELALS 1jmxA 423 :ERAVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 133 :AAIA 1jmxA 430 :DVKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 138 :EGIE 1jmxA 452 :PERK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.431 Ang G1.O and I4.CG2 T0187 142 :G 1jmxA 473 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 144 :ILCSAGT 1jmxA 481 :MIVTVQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 17 total=17 Number of alignments=1 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :AW 1jmxA 16 :HI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jmxA 33 :TPEGWLMSIARMQVMHGLQISDDDRRTLV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.59723 Ang D3.O and L30.CD2 other bump:2.59291 Ang T6.CB and L30.CD2 other bump:2.91827 Ang T6.CG2 and L30.CD2 other bump:2.79506 Ang A10.CB and K26.NZ other bump:2.72017 Ang L14.CD2 and I19.C other bump:1.91257 Ang L14.CD2 and I19.O other bump:3.04468 Ang V13.CB and I19.CD1 other bump:2.58607 Ang V13.CG1 and I19.CD1 other bump:1.9799 Ang V13.CG1 and I19.CG2 other bump:2.76732 Ang V13.CG1 and I19.CG1 other bump:2.64152 Ang L14.CD2 and I19.CG1 other bump:2.8687 Ang V13.CG1 and I19.CB other bump:2.07928 Ang P2.CG and S5.OG other bump:2.5462 Ang P2.CD and S5.OG other bump:2.76283 Ang P2.CG and S5.CB other bump:2.90167 Ang P2.CD and S5.CB T0187 34 :QETPKHLSNV 1jmxA 69 :GLAPSETDGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.04342 Ang E3.OE1 and L8.CD2 other bump:2.1315 Ang T4.OG1 and H7.CD2 T0187 50 :NVQKVCDEAKSLAKEK 1jmxA 114 :RPAKEWEHLVNFHLGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 73 :TTSLD 1jmxA 130 :WPSLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 78 :CEAREAGR 1jmxA 142 :RDWLPIAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 86 :FIASIMKE 1jmxA 152 :VVPDLAKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.8422 Ang F2.CE1 and I6.CD1 other bump:2.29825 Ang F2.CZ and I6.CD1 other bump:2.12084 Ang F2.CE2 and I6.CD1 other bump:2.52315 Ang F2.CD2 and I6.CD1 T0187 99 :RPL 1jmxA 160 :YPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 102 :KKP 1jmxA 385 :SVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :AALIF 1jmxA 395 :AEAWG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.75694 Ang F6.CD1 and G7.N T0187 110 :GGET 1jmxA 403 :NGQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 114 :VVHVKGNG 1jmxA 415 :SWKVEPFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 128 :ELALS 1jmxA 423 :ERAVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 133 :AAIA 1jmxA 430 :DVKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 137 :LEGIE 1jmxA 471 :ADGGQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.52739 Ang G4.C and I5.CB self-bump: 1.38678 Ang E3.CA and E3.CB T0187 143 :VILCSAGT 1jmxA 480 :HMIVTVQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 16 total=33 Number of alignments=2 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1srvA to template set 1srvA:Skipped atom 42, because occupancy 0.3 <= existing 0.700001 Skipped atom 44, because occupancy 0.3 <= existing 0.700001 Skipped atom 46, because occupancy 0.3 <= existing 0.700001 Skipped atom 48, because occupancy 0.3 <= existing 0.700001 Skipped atom 197, because occupancy 0.5 <= existing 0.500001 Skipped atom 199, because occupancy 0.5 <= existing 0.500001 Skipped atom 201, because occupancy 0.5 <= existing 0.500001 Skipped atom 203, because occupancy 0.5 <= existing 0.500001 Skipped atom 266, because occupancy 0.3 <= existing 0.700001 Skipped atom 268, because occupancy 0.3 <= existing 0.700001 Skipped atom 270, because occupancy 0.3 <= existing 0.700001 Skipped atom 276, because occupancy 0.3 <= existing 0.700001 Skipped atom 278, because occupancy 0.3 <= existing 0.700001 Skipped atom 280, because occupancy 0.3 <= existing 0.700001 Skipped atom 282, because occupancy 0.3 <= existing 0.700001 Skipped atom 284, because occupancy 0.3 <= existing 0.700001 Skipped atom 356, because occupancy 0.4 <= existing 0.600001 Skipped atom 358, because occupancy 0.4 <= existing 0.600001 Skipped atom 360, because occupancy 0.4 <= existing 0.600001 Skipped atom 362, because occupancy 0.4 <= existing 0.600001 Skipped atom 673, because occupancy 0.3 <= existing 0.700001 Skipped atom 675, because occupancy 0.3 <= existing 0.700001 Skipped atom 677, because occupancy 0.3 <= existing 0.700001 Skipped atom 902, because occupancy 0.35 <= existing 0.650001 Skipped atom 904, because occupancy 0.35 <= existing 0.650001 Skipped atom 906, because occupancy 0.35 <= existing 0.650001 Skipped atom 908, because occupancy 0.35 <= existing 0.650001 Skipped atom 910, because occupancy 0.35 <= existing 0.650001 Skipped atom 912, because occupancy 0.35 <= existing 0.650001 Skipped atom 914, because occupancy 0.35 <= existing 0.650001 Skipped atom 1000, because occupancy 0.4 <= existing 0.600001 Skipped atom 1002, because occupancy 0.4 <= existing 0.600001 Skipped atom 1004, because occupancy 0.4 <= existing 0.600001 Skipped atom 1006, because occupancy 0.4 <= existing 0.600001 Skipped atom 1008, because occupancy 0.4 <= existing 0.600001 Skipped atom 1010, because occupancy 0.4 <= existing 0.600001 Skipped atom 1012, because occupancy 0.4 <= existing 0.600001 # found chain 1srvA in template set T0187 1 :GPAWPD 1srvA 192 :GYQFDK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.06441 Ang W4.CE3 and D6.OD2 other bump:2.65678 Ang W4.CZ3 and D6.OD2 other bump:3.0273 Ang W4.CE3 and D6.CG other bump:2.58221 Ang W4.CZ3 and D6.CG other bump:2.60091 Ang W4.CE3 and D6.CB other bump:1.76012 Ang W4.CZ3 and D6.CB other bump:2.76489 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 22 :IETSESV 1srvA 198 :GYISPYF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.62346 Ang E3.CG and V8.CG1 other bump:2.04732 Ang E3.CD and V8.CG1 other bump:1.85672 Ang E3.OE1 and V8.CG1 other bump:2.80486 Ang E3.OE2 and V8.CG1 T0187 35 :ETPKHLS 1srvA 205 :VTNPETM Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.92813 Ang E2.OE2 and G9.CA other bump:2.02372 Ang E2.OE2 and G9.N other bump:2.68048 Ang E2.CD and G9.N other bump:1.89891 Ang E2.OE2 and S8.C other bump:2.99236 Ang E2.CD and S8.C other bump:2.29711 Ang E2.OE2 and S8.CA other bump:3.16943 Ang E2.CD and S8.CA other bump:3.17196 Ang E2.CD and P4.C other bump:2.7406 Ang E2.OE1 and P4.C other bump:2.68265 Ang E2.CD and P4.O other bump:2.47283 Ang E2.OE1 and P4.CD neighbor-bump: 2.32275 Ang T3.CG2 and P4.CD other bump:2.3172 Ang E2.OE1 and P4.N T0187 42 :NVEIHLI 1srvA 217 :DAFILIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.68174 Ang V3.CG1 and E4.O T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKD 1srvA 259 :LATLVVNKLRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.47319 Ang E7.O and K11.CG other bump:3.11606 Ang K6.CE and F10.CZ other bump:2.79645 Ang K6.NZ and F10.CZ other bump:2.61325 Ang K6.CG and F10.CE1 other bump:2.68976 Ang K6.CE and F10.CE1 other bump:2.00687 Ang K6.NZ and F10.CE1 other bump:2.99949 Ang K6.NZ and F10.CD1 T0187 102 :KKPAALIF 1srvA 270 :TLSVAAVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 119 :GNGIGGRNQELALSAAIAL 1srvA 278 :APGFGDRRKEMLKDIAAVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 141 :EGVIL 1srvA 297 :GGTVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 9 total=42 Number of alignments=3 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPD 1srvA 192 :GYQFDK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.06441 Ang W4.CE3 and D6.OD2 other bump:2.65678 Ang W4.CZ3 and D6.OD2 other bump:3.0273 Ang W4.CE3 and D6.CG other bump:2.58221 Ang W4.CZ3 and D6.CG other bump:2.60091 Ang W4.CE3 and D6.CB other bump:1.76012 Ang W4.CZ3 and D6.CB other bump:2.76489 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 22 :IETSESV 1srvA 198 :GYISPYF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.62346 Ang E3.CG and V8.CG1 other bump:2.04732 Ang E3.CD and V8.CG1 other bump:1.85672 Ang E3.OE1 and V8.CG1 other bump:2.80486 Ang E3.OE2 and V8.CG1 T0187 35 :ETPKHLS 1srvA 205 :VTNPETM Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.92813 Ang E2.OE2 and G9.CA other bump:2.02372 Ang E2.OE2 and G9.N other bump:2.68048 Ang E2.CD and G9.N other bump:1.89891 Ang E2.OE2 and S8.C other bump:2.99236 Ang E2.CD and S8.C other bump:2.29711 Ang E2.OE2 and S8.CA other bump:3.16943 Ang E2.CD and S8.CA other bump:3.17196 Ang E2.CD and P4.C other bump:2.7406 Ang E2.OE1 and P4.C other bump:2.68265 Ang E2.CD and P4.O other bump:2.47283 Ang E2.OE1 and P4.CD neighbor-bump: 2.32275 Ang T3.CG2 and P4.CD other bump:2.3172 Ang E2.OE1 and P4.N T0187 42 :NVEIHLI 1srvA 217 :DAFILIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.68174 Ang V3.CG1 and E4.O T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :AS 1srvA 260 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 91 :MKEVKFKD 1srvA 262 :LVVNKLRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.47319 Ang E4.O and K8.CG other bump:3.11606 Ang K3.CE and F7.CZ other bump:2.79645 Ang K3.NZ and F7.CZ other bump:2.61325 Ang K3.CG and F7.CE1 other bump:2.68976 Ang K3.CE and F7.CE1 other bump:2.00687 Ang K3.NZ and F7.CE1 other bump:2.9995 Ang K3.NZ and F7.CD1 T0187 102 :KKPAALIFG 1srvA 270 :TLSVAAVKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 120 :NGIG 1srvA 279 :PGFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 125 :RNQELALSAAIALEGI 1srvA 283 :DRRKEMLKDIAAVTGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.44797 Ang I17.CG2 and G18.N other bump:2.84928 Ang I12.CG2 and I17.C other bump:2.14198 Ang I12.CG2 and I17.O T0187 143 :VIL 1srvA 299 :TVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 11 total=53 Number of alignments=4 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1jztA to template set 1jztA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1jztA in template set T0187 5 :PD 1jztA 5 :KV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 8 :STSEDALKVLEKYGIE 1jztA 7 :VSSKLAAEIDKELMGP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.3853 Ang K13.O and I16.CG2 other bump:2.76472 Ang V10.CG2 and Y14.OH other bump:2.49795 Ang V10.CG2 and Y14.CZ other bump:2.95526 Ang V10.CB and Y14.CE1 other bump:1.59078 Ang V10.CG2 and Y14.CE1 other bump:3.07712 Ang V10.C and Y14.CE1 other bump:2.67618 Ang V10.CG2 and Y14.CD1 other bump:2.34185 Ang V10.O and Y14.CD1 T0187 24 :TSESVKRAIL 1jztA 26 :FTLQQLMELA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.49959 Ang T2.OG1 and K7.CE T0187 34 :QETPKHLS 1jztA 46 :QFPLRGKT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.38062 Ang H7.CA and H7.CB neighbor-bump: 2.13054 Ang T4.C and P5.CD self-bump: 1.36361 Ang P5.N and P5.CD self-bump: 2.21677 Ang P5.N and P5.CG T0187 42 :NVEIHLIGNV 1jztA 58 :GKHVFVIAGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLD 1jztA 71 :GGDGLVCARHLKLFGYNPVVFYPKRS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.03065 Ang Q2.NE2 and T23.CG2 other bump:1.58565 Ang K9.CD and I21.CG2 other bump:2.31066 Ang K9.CE and I21.CG2 other bump:2.68 Ang K9.NZ and I21.CG2 other bump:2.77315 Ang K9.CG and I21.CG2 other bump:2.93604 Ang K9.NZ and I21.CG1 other bump:2.53471 Ang K9.CD and I21.CB other bump:2.43149 Ang K9.CE and I21.CB other bump:1.93098 Ang K9.NZ and I21.CB other bump:2.88278 Ang K9.NZ and I21.CA T0187 85 :RFIASIMKEVKFKDRP 1jztA 100 :EFYKQLVHQLNFFKVP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.73713 Ang V11.CG1 and R16.O T0187 101 :LKK 1jztA 118 :SQD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.35136 Ang K4.CA and K4.CB T0187 104 :PAALIF 1jztA 134 :LCIVDA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.37054 Ang L5.CG and F7.CZ other bump:2.13753 Ang L5.CD2 and F7.CZ other bump:2.44309 Ang L5.CD1 and F7.CZ other bump:2.84937 Ang L5.CB and F7.CE2 other bump:1.48515 Ang L5.CG and F7.CE2 other bump:1.35585 Ang L5.CD2 and F7.CE2 other bump:2.40099 Ang L5.CD1 and F7.CE2 other bump:2.31843 Ang L5.CG and F7.CD2 self-bump: 1.39569 Ang P2.CA and P2.CB T0187 119 :GNGIGGRN 1jztA 140 :IFGFSFKP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 3.17993 Ang N9.CB and G10.CA T0187 127 :QELALSAAIALEGIEGV 1jztA 153 :FKGIVEELCKVQNIIPI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 144 :ILCSAGT 1jztA 194 :VLVSLTV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 2.21014 Ang T8.CB and T8.C self-bump: 2.38617 Ang T8.CG2 and T8.C self-bump: 1.25667 Ang T8.CA and T8.CB Number of specific fragments= 12 total=65 Number of alignments=5 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PD 1jztA 5 :KV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 8 :STSEDALKVLEKYGIE 1jztA 7 :VSSKLAAEIDKELMGP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.3853 Ang K13.O and I16.CG2 other bump:2.76472 Ang V10.CG2 and Y14.OH other bump:2.49795 Ang V10.CG2 and Y14.CZ other bump:2.95526 Ang V10.CB and Y14.CE1 other bump:1.59078 Ang V10.CG2 and Y14.CE1 other bump:3.07712 Ang V10.C and Y14.CE1 other bump:2.67618 Ang V10.CG2 and Y14.CD1 other bump:2.34185 Ang V10.O and Y14.CD1 T0187 24 :TSESVKRAIL 1jztA 26 :FTLQQLMELA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.49959 Ang T2.OG1 and K7.CE T0187 35 :ETPKHLS 1jztA 47 :FPLRGKT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.38062 Ang H6.CA and H6.CB neighbor-bump: 2.13054 Ang T3.C and P4.CD self-bump: 1.36361 Ang P4.N and P4.CD self-bump: 2.21677 Ang P4.N and P4.CG T0187 42 :NVEIHLIGNV 1jztA 58 :GKHVFVIAGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLDC 1jztA 71 :GGDGLVCARHLKLFGYNPVVFYPKRSE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.03065 Ang Q2.NE2 and T23.CG2 other bump:1.58565 Ang K9.CD and I21.CG2 other bump:2.31066 Ang K9.CE and I21.CG2 other bump:2.68 Ang K9.NZ and I21.CG2 other bump:2.77315 Ang K9.CG and I21.CG2 other bump:2.93604 Ang K9.NZ and I21.CG1 other bump:2.53471 Ang K9.CD and I21.CB other bump:2.43149 Ang K9.CE and I21.CB other bump:1.93098 Ang K9.NZ and I21.CB other bump:2.88278 Ang K9.NZ and I21.CA T0187 85 :RFIASIMKEVKFKDRP 1jztA 100 :EFYKQLVHQLNFFKVP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.73713 Ang V11.CG1 and R16.O T0187 101 :LKK 1jztA 118 :SQD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.35136 Ang K4.CA and K4.CB T0187 104 :PAALIFG 1jztA 134 :LCIVDAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.13754 Ang L5.CD2 and F7.CZ other bump:2.4431 Ang L5.CD1 and F7.CZ other bump:2.37055 Ang L5.CG and F7.CZ other bump:1.35585 Ang L5.CD2 and F7.CE2 other bump:2.401 Ang L5.CD1 and F7.CE2 other bump:2.84938 Ang L5.CB and F7.CE2 other bump:1.48516 Ang L5.CG and F7.CE2 other bump:2.31843 Ang L5.CG and F7.CD2 self-bump: 1.39569 Ang P2.CA and P2.CB T0187 119 :GNGIGGRNQELALSAAIALEGIEGVI 1jztA 145 :FKPPMREPFKGIVEELCKVQNIIPIV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.61405 Ang R8.CG and N9.OD1 neighbor-bump: 2.45712 Ang R8.CD and N9.OD1 neighbor-bump: 2.02936 Ang R8.NE and N9.OD1 neighbor-bump: 3.09367 Ang R8.CG and N9.CA T0187 145 :LCSAG 1jztA 195 :LVSLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 11 total=76 Number of alignments=6 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSS 1srvA 192 :GYQFDKGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 24 :TSESV 1srvA 200 :ISPYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 31 :AIL 1srvA 205 :VTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 34 :QETPKHLSNVEIHLI 1srvA 209 :ETMEAVLEDAFILIV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.68174 Ang V11.CG1 and E12.O other bump:2.62968 Ang L8.CB and V11.CG2 other bump:3.19379 Ang L8.C and V11.CG2 neighbor-bump: 2.27562 Ang E3.O and T4.OG1 self-bump: 1.39069 Ang Q2.CA and Q2.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDRPL 1srvA 260 :ATLVVNKLRGTLSV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.37129 Ang R13.CZ and L15.CD1 other bump:1.69059 Ang R13.NH1 and L15.CD1 other bump:2.91365 Ang R13.NE and L15.CD1 other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 115 :VHVKGNGIGGRNQELALSAAIALEGIE 1srvA 274 :AAVKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.27556 Ang A17.CB and E28.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 8 total=84 Number of alignments=7 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSS 1srvA 192 :GYQFDKGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 26 :ESVKRAIL 1srvA 200 :ISPYFVTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 34 :QETPKHLSNVEIHLI 1srvA 209 :ETMEAVLEDAFILIV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.68174 Ang V11.CG1 and E12.O other bump:2.62968 Ang L8.CB and V11.CG2 other bump:3.19379 Ang L8.C and V11.CG2 neighbor-bump: 2.27562 Ang E3.O and T4.OG1 self-bump: 1.39069 Ang Q2.CA and Q2.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDRPLKK 1srvA 259 :LATLVVNKLRGTLSVAA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65899 Ang I5.CD1 and K18.NZ other bump:1.8487 Ang I5.CG1 and K18.NZ other bump:2.2579 Ang I5.CG2 and K18.NZ other bump:2.43789 Ang I5.CB and K18.NZ other bump:1.13255 Ang I5.CD1 and K18.CE other bump:2.37149 Ang I5.CG1 and K18.CE other bump:2.10733 Ang I5.CD1 and K18.CD other bump:1.50789 Ang R14.NH1 and L16.CD1 other bump:3.06208 Ang R14.NE and L16.CD1 other bump:2.30418 Ang R14.CZ and L16.CD1 other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 117 :VKGNGIGGRNQELALSAAIALEGIE 1srvA 276 :VKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.27556 Ang A15.CB and E26.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 7 total=91 Number of alignments=8 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCDE 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGGD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.77035 Ang K21.CG and E25.OE2 other bump:2.28537 Ang K21.C and E25.OE1 other bump:1.47369 Ang K21.O and E25.OE1 other bump:2.56395 Ang V22.CA and E25.OE1 other bump:3.12653 Ang K21.C and E25.CD other bump:2.27375 Ang K21.O and E25.CD other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O Number of specific fragments= 4 total=95 Number of alignments=9 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 104 :PAALIFG 1jztA 213 :TTHYVGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 125 :R 1jztA 220 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 126 :NQEL 1jztA 223 :PRDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 135 :IALEGIEGV 1jztA 227 :ANKFGFEPF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63494 Ang I2.CD1 and G9.CA other bump:3.23047 Ang I2.CG2 and E8.C other bump:2.61352 Ang I2.CG2 and I7.C other bump:2.23475 Ang I2.CG2 and I7.O other bump:2.61177 Ang I2.CG2 and I7.CG1 Number of specific fragments= 8 total=103 Number of alignments=10 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1i58A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1i58A to template set 1i58A:# found chain 1i58A in template set T0187 1 :GPAW 1i58A 352 :GSHM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.8864 Ang P2.CB and W4.CZ3 other bump:2.64159 Ang P2.CB and W4.CE3 other bump:2.68485 Ang P2.O and W4.CE2 neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 16 :VLEKYG 1i58A 359 :SFVFNR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.70684 Ang V2.CB and Y6.OH other bump:1.95308 Ang V2.CG1 and Y6.OH other bump:2.53426 Ang V2.CB and Y6.CZ other bump:1.14589 Ang V2.CG1 and Y6.CZ other bump:2.17839 Ang V2.CG1 and Y6.CE2 other bump:2.52507 Ang V2.O and Y6.CE1 other bump:2.05871 Ang V2.CB and Y6.CE1 other bump:1.06608 Ang V2.CG1 and Y6.CE1 other bump:2.71444 Ang V2.CA and Y6.CE1 other bump:2.52273 Ang V2.C and Y6.CE1 other bump:2.82211 Ang V2.CG1 and Y6.CD2 other bump:1.6553 Ang V2.O and Y6.CD1 other bump:3.02009 Ang V2.CB and Y6.CD1 other bump:2.09594 Ang V2.CG1 and Y6.CD1 other bump:2.99811 Ang V2.CA and Y6.CD1 other bump:2.33009 Ang V2.C and Y6.CD1 other bump:2.81399 Ang V2.CG1 and Y6.CG T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGGRNQELALSAAI 1i58A 440 :GNNVVIEVEDDGRGIDKEKIIRKAIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.05047 Ang R17.NH1 and E20.OE1 other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 136 :ALEGIE 1i58A 473 :KAATLS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.7848 Ang G1.O and E4.OE2 other bump:2.31426 Ang G1.C and E4.OE2 other bump:1.87377 Ang G1.O and E4.OE1 other bump:2.0027 Ang G1.C and E4.OE1 other bump:1.57519 Ang G1.O and E4.CD other bump:2.27541 Ang G1.C and E4.CD T0187 142 :GV 1i58A 490 :GF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 8 total=111 Number of alignments=11 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1i58A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAW 1i58A 352 :GSHM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.8864 Ang P2.CB and W4.CZ3 other bump:2.64159 Ang P2.CB and W4.CE3 other bump:2.68485 Ang P2.O and W4.CE2 neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 16 :VLEKYG 1i58A 359 :SFVFNR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.70684 Ang V2.CB and Y6.OH other bump:1.95308 Ang V2.CG1 and Y6.OH other bump:2.53426 Ang V2.CB and Y6.CZ other bump:1.14589 Ang V2.CG1 and Y6.CZ other bump:2.17839 Ang V2.CG1 and Y6.CE2 other bump:2.52507 Ang V2.O and Y6.CE1 other bump:2.05871 Ang V2.CB and Y6.CE1 other bump:1.06608 Ang V2.CG1 and Y6.CE1 other bump:2.71444 Ang V2.CA and Y6.CE1 other bump:2.52273 Ang V2.C and Y6.CE1 other bump:2.82211 Ang V2.CG1 and Y6.CD2 other bump:1.6553 Ang V2.O and Y6.CD1 other bump:3.02009 Ang V2.CB and Y6.CD1 other bump:2.09594 Ang V2.CG1 and Y6.CD1 other bump:2.99811 Ang V2.CA and Y6.CD1 other bump:2.33009 Ang V2.C and Y6.CD1 other bump:2.81399 Ang V2.CG1 and Y6.CG T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGGRNQELALSAAI 1i58A 440 :GNNVVIEVEDDGRGIDKEKIIRKAIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.05047 Ang R17.NH1 and E20.OE1 other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 136 :ALEGIE 1i58A 473 :KAATLS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.7848 Ang G1.O and E4.OE2 other bump:2.31426 Ang G1.C and E4.OE2 other bump:1.87377 Ang G1.O and E4.OE1 other bump:2.0027 Ang G1.C and E4.OE1 other bump:1.57519 Ang G1.O and E4.CD other bump:2.27541 Ang G1.C and E4.CD T0187 142 :GV 1i58A 490 :GF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 8 total=119 Number of alignments=12 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDRPLKK 1srvA 259 :LATLVVNKLRGTLSVAA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65899 Ang I5.CD1 and K18.NZ other bump:1.8487 Ang I5.CG1 and K18.NZ other bump:2.2579 Ang I5.CG2 and K18.NZ other bump:2.43789 Ang I5.CB and K18.NZ other bump:1.13255 Ang I5.CD1 and K18.CE other bump:2.37149 Ang I5.CG1 and K18.CE other bump:2.10733 Ang I5.CD1 and K18.CD other bump:1.50789 Ang R14.NH1 and L16.CD1 other bump:3.06208 Ang R14.NE and L16.CD1 other bump:2.30418 Ang R14.CZ and L16.CD1 other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 117 :VKGNGIGGRNQELALSAAIALEGI 1srvA 276 :VKAPGFGDRRKEMLKDIAAVTGGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues Number of specific fragments= 3 total=122 Number of alignments=13 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 40 :LSNVEIHLI 1srvA 215 :LEDAFILIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.68174 Ang V5.CG1 and E6.O other bump:2.62968 Ang L2.CB and V5.CG2 other bump:3.19379 Ang L2.C and V5.CG2 T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDRPL 1srvA 260 :ATLVVNKLRGTLSV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.37129 Ang R13.CZ and L15.CD1 other bump:1.69059 Ang R13.NH1 and L15.CD1 other bump:2.91365 Ang R13.NE and L15.CD1 other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 115 :VHVKGNGIGGRNQELALSAAIALEG 1srvA 274 :AAVKAPGFGDRRKEMLKDIAAVTGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues Number of specific fragments= 4 total=126 Number of alignments=14 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 40 :LSNVEIHLI 1srvA 215 :LEDAFILIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.68174 Ang V5.CG1 and E6.O other bump:2.62968 Ang L2.CB and V5.CG2 other bump:3.19379 Ang L2.C and V5.CG2 T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDRPL 1srvA 260 :ATLVVNKLRGTLSV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.37129 Ang R13.CZ and L15.CD1 other bump:1.69059 Ang R13.NH1 and L15.CD1 other bump:2.91365 Ang R13.NE and L15.CD1 other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 115 :VHVKGNGIGGRNQELALSAAIALEG 1srvA 274 :AAVKAPGFGDRRKEMLKDIAAVTGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues Number of specific fragments= 4 total=130 Number of alignments=15 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1srvA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1srvA/T0187-1srvA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDRPLKK 1srvA 259 :LATLVVNKLRGTLSVAA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65899 Ang I5.CD1 and K18.NZ other bump:1.8487 Ang I5.CG1 and K18.NZ other bump:2.2579 Ang I5.CG2 and K18.NZ other bump:2.43789 Ang I5.CB and K18.NZ other bump:1.13255 Ang I5.CD1 and K18.CE other bump:2.37149 Ang I5.CG1 and K18.CE other bump:2.10733 Ang I5.CD1 and K18.CD other bump:1.50789 Ang R14.NH1 and L16.CD1 other bump:3.06208 Ang R14.NE and L16.CD1 other bump:2.30418 Ang R14.CZ and L16.CD1 other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 117 :VKGNGIGGRNQELALSAAIALEGI 1srvA 276 :VKAPGFGDRRKEMLKDIAAVTGGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues Number of specific fragments= 3 total=133 Number of alignments=16 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # adding 1ex2A to template set 1ex2A:# found chain 1ex2A in template set T0187 1 :GPAW 1ex2A 1 :MTKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSS 1ex2A 8 :ASQS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.01282 Ang G1.C and P2.CD self-bump: 2.06347 Ang P2.N and P2.CG self-bump: 2.15518 Ang P2.N and P2.CB T0187 12 :DALKVLEKYGIETS 1ex2A 12 :PRRKELLDLLQLPY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.56316 Ang V6.O and Y10.CE1 other bump:3.08651 Ang L7.CA and Y10.CE1 other bump:2.96414 Ang L7.CA and Y10.CD1 other bump:2.42892 Ang K5.CD and K9.NZ other bump:2.3302 Ang K5.CE and K9.NZ other bump:1.56421 Ang K5.NZ and K9.NZ other bump:2.01501 Ang K5.CD and K9.CE other bump:1.94666 Ang K5.CE and K9.CE other bump:1.4313 Ang K5.NZ and K9.CE other bump:2.75989 Ang K5.NZ and K9.CD T0187 32 :ILQETPKHLSN 1ex2A 29 :VSEVEEKLNRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 49 :GNVQKVCDEAKSLA 1ex2A 40 :FSPEENVQWLAKQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 80 :AREAGRF 1ex2A 54 :AKAVADL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 87 :IASIMKEVKFKDR 1ex2A 87 :EEAASMLRRLSGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 105 :AALIFGG 1ex2A 107 :VSIQAEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 112 :ETVVHVK 1ex2A 121 :KTEVAFW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.61015 Ang V7.CG2 and K8.O T0187 119 :GNGIG 1ex2A 149 :AYGIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 124 :GRNQEL 1ex2A 165 :GDYYSV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.81769 Ang R3.CD and E6.CG self-bump: 1.3931 Ang N4.CA and N4.CB T0187 130 :ALSAAIALEG 1ex2A 175 :ISKTMRALRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 12 total=145 Number of alignments=17 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAW 1ex2A 1 :MTKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSS 1ex2A 8 :ASQS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.01282 Ang G1.C and P2.CD self-bump: 2.06347 Ang P2.N and P2.CG self-bump: 2.15518 Ang P2.N and P2.CB T0187 12 :DALKVLEKYGIETS 1ex2A 12 :PRRKELLDLLQLPY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.56316 Ang V6.O and Y10.CE1 other bump:3.08651 Ang L7.CA and Y10.CE1 other bump:2.96414 Ang L7.CA and Y10.CD1 other bump:2.42892 Ang K5.CD and K9.NZ other bump:2.3302 Ang K5.CE and K9.NZ other bump:1.56421 Ang K5.NZ and K9.NZ other bump:2.01501 Ang K5.CD and K9.CE other bump:1.94666 Ang K5.CE and K9.CE other bump:1.4313 Ang K5.NZ and K9.CE other bump:2.75989 Ang K5.NZ and K9.CD T0187 32 :ILQETPKHLSN 1ex2A 29 :VSEVEEKLNRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 49 :GNVQKVCDEAKSLAKE 1ex2A 40 :FSPEENVQWLAKQKAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 65 :KG 1ex2A 62 :PH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 68 :NAEI 1ex2A 64 :AIVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 77 :DCE 1ex2A 76 :DGE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.65208 Ang D2.C and C3.CB T0187 80 :AREAGRFIA 1ex2A 86 :QEEAASMLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 95 :KFKDR 1ex2A 95 :RLSGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 105 :AALIFGG 1ex2A 107 :VSIQAEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 112 :ETVVHVK 1ex2A 121 :KTEVAFW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.61015 Ang V7.CG2 and K8.O T0187 119 :GNGIG 1ex2A 149 :AYGIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 124 :GRNQELA 1ex2A 165 :GDYYSVM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.81769 Ang R3.CD and E6.CG self-bump: 1.3931 Ang N4.CA and N4.CB T0187 131 :LSAAIALEG 1ex2A 176 :SKTMRALRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 15 total=160 Number of alignments=18 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1fukA/T0187-1fukA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1fukA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1fukA/T0187-1fukA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # adding 1fukA to template set 1fukA:# found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKDR 1fukA 300 :TIMKEFRSGSS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.35983 Ang I3.CG2 and R12.NH2 other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 101 :L 1fukA 311 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 119 :GNGIG 1fukA 346 :RIGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 2.19779 Ang N3.CB and N3.C T0187 131 :LSAAIALEGIE 1fukA 368 :VGAMRELEKFY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.4668 Ang E9.O and E12.O T0187 142 :GVILCSAG 1fukA 381 :QIEELPSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=167 Number of alignments=19 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1fukA/T0187-1fukA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1fukA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1fukA/T0187-1fukA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKDRPL 1fukA 300 :TIMKEFRSGSSRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.81873 Ang I3.C and R12.NH2 other bump:1.71251 Ang I3.CG2 and R12.NH2 other bump:2.55121 Ang I3.CG2 and R12.NH1 other bump:2.42531 Ang I3.CG2 and R12.CZ other bump:2.5224 Ang V7.CG2 and R12.NE other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 131 :LSAAIALEGIEGVILCSAGT 1fukA 368 :VGAMRELEKFYSTQIEELPS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues self-bump: 2.21054 Ang T21.CB and T21.C other bump:2.4668 Ang E9.O and E12.O Number of specific fragments= 4 total=171 Number of alignments=20 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1gajA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # adding 1gajA to template set 1gajA:# found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1gajA 126 :KEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.78216 Ang Y17.CB and I19.CD1 other bump:2.62183 Ang V13.CG2 and Y17.CE1 T0187 30 :RAILQETPKHL 1gajA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.78907 Ang E7.OE1 and H11.CB self-bump: 1.39376 Ang P9.N and P9.CD T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 155 :SGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:1.91574 Ang N20.O and P52.CD other bump:3.15004 Ang N20.C and P52.CD other bump:2.74223 Ang V46.CG1 and R51.NH2 other bump:2.9822 Ang V46.CG2 and R51.NH2 other bump:2.0895 Ang E22.OE1 and R51.NH1 other bump:2.63489 Ang V46.CG1 and R51.CZ other bump:2.03821 Ang V46.CG1 and R51.NE other bump:3.09394 Ang V46.CG1 and R51.CD other bump:2.93255 Ang K11.NZ and I42.CG2 other bump:2.87075 Ang E31.CD and I39.CD1 other bump:2.15991 Ang E31.OE1 and I39.CD1 other bump:2.52936 Ang Q4.NE2 and I39.CD1 other bump:3.12058 Ang Q4.CB and A35.CB other bump:2.99913 Ang Q4.CG and A35.CB other bump:2.01974 Ang C7.SG and E31.OE2 other bump:2.38957 Ang C7.CB and E31.OE2 other bump:2.27311 Ang Q4.OE1 and E31.OE1 other bump:1.41227 Ang Q4.CD and E31.OE1 other bump:2.69003 Ang Q4.CA and E31.OE1 other bump:2.51531 Ang Q4.CB and E31.OE1 other bump:1.0279 Ang Q4.NE2 and E31.OE1 other bump:1.76531 Ang Q4.OE1 and E31.CD other bump:2.99086 Ang C7.SG and E31.CD other bump:1.74978 Ang Q4.CD and E31.CD other bump:2.79338 Ang Q4.CA and E31.CD other bump:2.87971 Ang Q4.CG and E31.CD other bump:0.866068 Ang Q4.OE1 and E31.CG other bump:1.7931 Ang Q4.CD and E31.CG other bump:3.17011 Ang Q4.CA and E31.CG other bump:2.64518 Ang Q4.CG and E31.CG other bump:2.73202 Ang Q4.NE2 and E31.CG other bump:0.778006 Ang Q4.OE1 and E31.CB other bump:1.65918 Ang Q4.CD and E31.CB other bump:2.54032 Ang Q4.CG and E31.CB other bump:2.62362 Ang Q4.NE2 and E31.CB other bump:2.13019 Ang Q4.OE1 and E31.CA other bump:2.96381 Ang Q4.CD and E31.CA neighbor-bump: 2.75622 Ang D29.OD1 and C30.SG other bump:2.68818 Ang T26.CG2 and D29.CB self-bump: 2.20853 Ang T25.CA and T25.OG1 other bump:2.7863 Ang E22.CD and I24.CD1 other bump:2.5161 Ang E22.OE2 and I24.CD1 other bump:3.07835 Ang E22.OE2 and I24.CG1 other bump:2.02791 Ang K17.CE and F19.CZ other bump:1.77945 Ang K17.NZ and F19.CZ other bump:2.49099 Ang K17.CD and F19.CZ other bump:2.96604 Ang K17.CB and F19.CZ other bump:2.34608 Ang K17.CE and F19.CE2 other bump:2.02807 Ang K17.NZ and F19.CE2 other bump:1.78262 Ang A14.O and F19.CE1 other bump:2.66513 Ang A14.C and F19.CE1 other bump:2.92261 Ang K17.CB and F19.CE1 other bump:2.26241 Ang A14.O and F19.CD1 other bump:2.36438 Ang L13.CD1 and E16.OE1 other bump:1.71544 Ang K11.NZ and K15.NZ other bump:3.03519 Ang K11.CE and K15.CE other bump:1.94905 Ang K11.NZ and K15.CE T0187 102 :KKPAALIFGGETVVHVKG 1gajA 220 :IDHLYVMFNGQIIAEGRG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.73748 Ang H16.C and V17.CG2 neighbor-bump: 2.00661 Ang H16.O and V17.CG2 neighbor-bump: 2.90005 Ang H16.CD2 and V17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG Number of specific fragments= 4 total=175 Number of alignments=21 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1gajA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1gajA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.78216 Ang Y18.CB and I20.CD1 other bump:2.62183 Ang V14.CG2 and Y18.CE1 other bump:2.99255 Ang W2.CE3 and D4.OD2 T0187 31 :AILQETPKHL 1gajA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.78907 Ang E6.OE1 and H10.CB self-bump: 1.39376 Ang P8.N and P8.CD T0187 49 :GNVQKVCDEAKS 1gajA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.39733 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 167 :ALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.91574 Ang N8.O and P40.CD other bump:3.15004 Ang N8.C and P40.CD other bump:2.74223 Ang V34.CG1 and R39.NH2 other bump:2.9822 Ang V34.CG2 and R39.NH2 other bump:2.0895 Ang E10.OE1 and R39.NH1 other bump:2.63489 Ang V34.CG1 and R39.CZ other bump:2.03821 Ang V34.CG1 and R39.NE other bump:3.09394 Ang V34.CG1 and R39.CD other bump:2.87075 Ang E19.CD and I27.CD1 other bump:2.15991 Ang E19.OE1 and I27.CD1 neighbor-bump: 2.75622 Ang D17.OD1 and C18.SG other bump:2.68818 Ang T14.CG2 and D17.CB self-bump: 2.20853 Ang T13.CA and T13.OG1 other bump:2.7863 Ang E10.CD and I12.CD1 other bump:2.5161 Ang E10.OE2 and I12.CD1 other bump:3.07835 Ang E10.OE2 and I12.CG1 other bump:2.02791 Ang K5.CE and F7.CZ other bump:1.77945 Ang K5.NZ and F7.CZ other bump:2.49099 Ang K5.CD and F7.CZ other bump:2.96604 Ang K5.CB and F7.CZ other bump:2.34608 Ang K5.CE and F7.CE2 other bump:2.02807 Ang K5.NZ and F7.CE2 other bump:1.78262 Ang A2.O and F7.CE1 other bump:2.66513 Ang A2.C and F7.CE1 other bump:2.92261 Ang K5.CB and F7.CE1 other bump:2.26241 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1gajA 220 :IDHLYVMFNGQIIAE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.90005 Ang H16.CD2 and G17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1gajA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.23002 Ang I3.CG2 and G4.N self-bump: 1.33711 Ang I3.CA and I3.CB Number of specific fragments= 6 total=181 Number of alignments=22 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1gajA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1gajA 126 :KEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.78216 Ang Y17.CB and I19.CD1 other bump:2.62183 Ang V13.CG2 and Y17.CE1 T0187 30 :RAILQETPKHL 1gajA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.78907 Ang E7.OE1 and H11.CB self-bump: 1.39376 Ang P9.N and P9.CD T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 155 :SGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:1.91574 Ang N20.O and P52.CD other bump:3.15004 Ang N20.C and P52.CD other bump:2.74223 Ang V46.CG1 and R51.NH2 other bump:2.9822 Ang V46.CG2 and R51.NH2 other bump:2.0895 Ang E22.OE1 and R51.NH1 other bump:2.63489 Ang V46.CG1 and R51.CZ other bump:2.03821 Ang V46.CG1 and R51.NE other bump:3.09394 Ang V46.CG1 and R51.CD other bump:2.93255 Ang K11.NZ and I42.CG2 other bump:2.87075 Ang E31.CD and I39.CD1 other bump:2.15991 Ang E31.OE1 and I39.CD1 other bump:2.52936 Ang Q4.NE2 and I39.CD1 other bump:3.12058 Ang Q4.CB and A35.CB other bump:2.99913 Ang Q4.CG and A35.CB other bump:2.01974 Ang C7.SG and E31.OE2 other bump:2.38957 Ang C7.CB and E31.OE2 other bump:2.27311 Ang Q4.OE1 and E31.OE1 other bump:1.41227 Ang Q4.CD and E31.OE1 other bump:2.69003 Ang Q4.CA and E31.OE1 other bump:2.51531 Ang Q4.CB and E31.OE1 other bump:1.0279 Ang Q4.NE2 and E31.OE1 other bump:1.76531 Ang Q4.OE1 and E31.CD other bump:2.99086 Ang C7.SG and E31.CD other bump:1.74978 Ang Q4.CD and E31.CD other bump:2.79338 Ang Q4.CA and E31.CD other bump:2.87971 Ang Q4.CG and E31.CD other bump:0.866068 Ang Q4.OE1 and E31.CG other bump:1.7931 Ang Q4.CD and E31.CG other bump:3.17011 Ang Q4.CA and E31.CG other bump:2.64518 Ang Q4.CG and E31.CG other bump:2.73202 Ang Q4.NE2 and E31.CG other bump:0.778006 Ang Q4.OE1 and E31.CB other bump:1.65918 Ang Q4.CD and E31.CB other bump:2.54032 Ang Q4.CG and E31.CB other bump:2.62362 Ang Q4.NE2 and E31.CB other bump:2.13019 Ang Q4.OE1 and E31.CA other bump:2.96381 Ang Q4.CD and E31.CA neighbor-bump: 2.75622 Ang D29.OD1 and C30.SG other bump:2.68818 Ang T26.CG2 and D29.CB self-bump: 2.20853 Ang T25.CA and T25.OG1 other bump:2.7863 Ang E22.CD and I24.CD1 other bump:2.5161 Ang E22.OE2 and I24.CD1 other bump:3.07835 Ang E22.OE2 and I24.CG1 other bump:2.02791 Ang K17.CE and F19.CZ other bump:1.77945 Ang K17.NZ and F19.CZ other bump:2.49099 Ang K17.CD and F19.CZ other bump:2.96604 Ang K17.CB and F19.CZ other bump:2.34608 Ang K17.CE and F19.CE2 other bump:2.02807 Ang K17.NZ and F19.CE2 other bump:1.78262 Ang A14.O and F19.CE1 other bump:2.66513 Ang A14.C and F19.CE1 other bump:2.92261 Ang K17.CB and F19.CE1 other bump:2.26241 Ang A14.O and F19.CD1 other bump:2.36438 Ang L13.CD1 and E16.OE1 other bump:1.71544 Ang K11.NZ and K15.NZ other bump:3.03519 Ang K11.CE and K15.CE other bump:1.94905 Ang K11.NZ and K15.CE T0187 102 :KKPAALIFGGETVVHVKG 1gajA 220 :IDHLYVMFNGQIIAEGRG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.73748 Ang H16.C and V17.CG2 neighbor-bump: 2.00661 Ang H16.O and V17.CG2 neighbor-bump: 2.90005 Ang H16.CD2 and V17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG Number of specific fragments= 4 total=185 Number of alignments=23 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1gajA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1gajA/T0187-1gajA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1gajA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.78216 Ang Y18.CB and I20.CD1 other bump:2.62183 Ang V14.CG2 and Y18.CE1 other bump:2.99255 Ang W2.CE3 and D4.OD2 T0187 31 :AILQETPKHL 1gajA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.78907 Ang E6.OE1 and H10.CB self-bump: 1.39376 Ang P8.N and P8.CD T0187 49 :GNVQKVCDEAKS 1gajA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.39733 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 167 :ALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.91574 Ang N8.O and P40.CD other bump:3.15004 Ang N8.C and P40.CD other bump:2.74223 Ang V34.CG1 and R39.NH2 other bump:2.9822 Ang V34.CG2 and R39.NH2 other bump:2.0895 Ang E10.OE1 and R39.NH1 other bump:2.63489 Ang V34.CG1 and R39.CZ other bump:2.03821 Ang V34.CG1 and R39.NE other bump:3.09394 Ang V34.CG1 and R39.CD other bump:2.87075 Ang E19.CD and I27.CD1 other bump:2.15991 Ang E19.OE1 and I27.CD1 neighbor-bump: 2.75622 Ang D17.OD1 and C18.SG other bump:2.68818 Ang T14.CG2 and D17.CB self-bump: 2.20853 Ang T13.CA and T13.OG1 other bump:2.7863 Ang E10.CD and I12.CD1 other bump:2.5161 Ang E10.OE2 and I12.CD1 other bump:3.07835 Ang E10.OE2 and I12.CG1 other bump:2.02791 Ang K5.CE and F7.CZ other bump:1.77945 Ang K5.NZ and F7.CZ other bump:2.49099 Ang K5.CD and F7.CZ other bump:2.96604 Ang K5.CB and F7.CZ other bump:2.34608 Ang K5.CE and F7.CE2 other bump:2.02807 Ang K5.NZ and F7.CE2 other bump:1.78262 Ang A2.O and F7.CE1 other bump:2.66513 Ang A2.C and F7.CE1 other bump:2.92261 Ang K5.CB and F7.CE1 other bump:2.26241 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1gajA 220 :IDHLYVMFNGQIIAE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.90005 Ang H16.CD2 and G17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1gajA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.23002 Ang I3.CG2 and G4.N self-bump: 1.33711 Ang I3.CA and I3.CB Number of specific fragments= 6 total=191 Number of alignments=24 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1g6hA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # adding 1g6hA to template set 1g6hA:Skipped atom 1160, because occupancy 0.5 <= existing 0.500001 Skipped atom 1162, because occupancy 0.5 <= existing 0.500001 Skipped atom 1164, because occupancy 0.5 <= existing 0.500001 Skipped atom 1166, because occupancy 0.5 <= existing 0.500001 Skipped atom 1333, because occupancy 0.5 <= existing 0.500001 Skipped atom 1335, because occupancy 0.5 <= existing 0.500001 Skipped atom 1337, because occupancy 0.5 <= existing 0.500001 Skipped atom 1339, because occupancy 0.5 <= existing 0.500001 # found chain 1g6hA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1g6hA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.96667 Ang L15.CD2 and I20.CD1 other bump:2.99226 Ang L15.CD2 and I20.CG1 T0187 31 :AILQETPKHL 1g6hA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.70939 Ang T7.OG1 and H10.CD2 other bump:2.40193 Ang E6.OE1 and H10.CB T0187 49 :GNVQKVCDEAKS 1g6hA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.37469 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 167 :ALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.90399 Ang M31.CE and L41.CD2 other bump:1.93211 Ang M31.CE and L41.CD1 other bump:2.58804 Ang M31.CE and L41.CG other bump:1.90928 Ang N8.O and P40.CD other bump:3.14351 Ang N8.C and P40.CD other bump:2.56466 Ang V34.CG2 and R39.NH2 other bump:2.55172 Ang V34.CB and R39.NH2 other bump:2.4383 Ang V34.CG1 and R39.NH2 other bump:2.06095 Ang E10.OE1 and R39.NH1 other bump:2.30109 Ang V34.CG1 and R39.CZ other bump:1.77316 Ang V34.CG1 and R39.NE other bump:2.91713 Ang V34.CG1 and R39.CD neighbor-bump: 2.70788 Ang D17.OD1 and C18.SG other bump:2.78036 Ang I12.CG2 and S15.CB self-bump: 2.21527 Ang T13.CA and T13.OG1 other bump:2.25095 Ang K5.CD and F7.CZ other bump:1.98082 Ang K5.CE and F7.CZ other bump:1.99869 Ang K5.NZ and F7.CZ other bump:2.60916 Ang K5.CB and F7.CZ other bump:2.87073 Ang K5.CG and F7.CZ other bump:3.11769 Ang K5.CD and F7.CE2 other bump:2.08128 Ang K5.CE and F7.CE2 other bump:1.93983 Ang K5.NZ and F7.CE2 other bump:3.08779 Ang A2.CA and F7.CE1 other bump:1.38585 Ang A2.O and F7.CE1 other bump:2.44591 Ang A2.C and F7.CE1 other bump:2.76841 Ang K5.CB and F7.CE1 other bump:1.92378 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1g6hA 220 :IDHLYVMFNGQIIAE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1g6hA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.73503 Ang I3.CG2 and G4.N self-bump: 1.32985 Ang I3.CA and I3.CB Number of specific fragments= 6 total=197 Number of alignments=25 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1g6hA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1g6hA 126 :KEEEMVEKAFKILEFLKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91609 Ang Y17.CB and I19.CD1 T0187 30 :RAILQETPKHL 1g6hA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.70939 Ang T8.OG1 and H11.CD2 other bump:2.40193 Ang E7.OE1 and H11.CB T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 155 :SGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.90399 Ang M43.CE and L53.CD2 other bump:1.93211 Ang M43.CE and L53.CD1 other bump:2.58804 Ang M43.CE and L53.CG other bump:1.90928 Ang N20.O and P52.CD other bump:3.14351 Ang N20.C and P52.CD other bump:2.56466 Ang V46.CG2 and R51.NH2 other bump:2.55172 Ang V46.CB and R51.NH2 other bump:2.4383 Ang V46.CG1 and R51.NH2 other bump:2.06095 Ang E22.OE1 and R51.NH1 other bump:2.30109 Ang V46.CG1 and R51.CZ other bump:1.77316 Ang V46.CG1 and R51.NE other bump:2.91713 Ang V46.CG1 and R51.CD other bump:2.69741 Ang K11.CE and M43.SD other bump:1.5727 Ang K11.NZ and M43.SD other bump:2.50291 Ang D8.OD2 and F38.CZ other bump:1.99918 Ang D8.OD2 and F38.CE1 other bump:2.80783 Ang D8.CG and F38.CE1 other bump:2.72295 Ang Q4.CD and A35.CB other bump:1.97124 Ang Q4.NE2 and A35.CB other bump:2.15129 Ang Q4.NE2 and A35.CA neighbor-bump: 2.70788 Ang D29.OD1 and C30.SG other bump:2.78036 Ang I24.CG2 and S27.CB self-bump: 2.21527 Ang T25.CA and T25.OG1 other bump:1.98082 Ang K17.CE and F19.CZ other bump:1.99869 Ang K17.NZ and F19.CZ other bump:2.25095 Ang K17.CD and F19.CZ other bump:2.60916 Ang K17.CB and F19.CZ other bump:2.87073 Ang K17.CG and F19.CZ other bump:2.08128 Ang K17.CE and F19.CE2 other bump:1.93983 Ang K17.NZ and F19.CE2 other bump:3.11769 Ang K17.CD and F19.CE2 other bump:1.38585 Ang A14.O and F19.CE1 other bump:2.44591 Ang A14.C and F19.CE1 other bump:3.08779 Ang A14.CA and F19.CE1 other bump:2.76841 Ang K17.CB and F19.CE1 other bump:1.92378 Ang A14.O and F19.CD1 T0187 102 :KKPAALIFGGETVVHVKG 1g6hA 220 :IDHLYVMFNGQIIAEGRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58567 Ang H16.NE2 and K18.NZ other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG Number of specific fragments= 4 total=201 Number of alignments=26 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1g6hA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1g6hA 126 :KEEEMVEKAFKILEFLKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91609 Ang Y17.CB and I19.CD1 T0187 30 :RAILQETPKHL 1g6hA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.70939 Ang T8.OG1 and H11.CD2 other bump:2.40193 Ang E7.OE1 and H11.CB T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 155 :SGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.90399 Ang M43.CE and L53.CD2 other bump:1.93211 Ang M43.CE and L53.CD1 other bump:2.58804 Ang M43.CE and L53.CG other bump:1.90928 Ang N20.O and P52.CD other bump:3.14351 Ang N20.C and P52.CD other bump:2.56466 Ang V46.CG2 and R51.NH2 other bump:2.55172 Ang V46.CB and R51.NH2 other bump:2.4383 Ang V46.CG1 and R51.NH2 other bump:2.06095 Ang E22.OE1 and R51.NH1 other bump:2.30109 Ang V46.CG1 and R51.CZ other bump:1.77316 Ang V46.CG1 and R51.NE other bump:2.91713 Ang V46.CG1 and R51.CD other bump:2.69741 Ang K11.CE and M43.SD other bump:1.5727 Ang K11.NZ and M43.SD other bump:2.50291 Ang D8.OD2 and F38.CZ other bump:1.99918 Ang D8.OD2 and F38.CE1 other bump:2.80783 Ang D8.CG and F38.CE1 other bump:2.72295 Ang Q4.CD and A35.CB other bump:1.97124 Ang Q4.NE2 and A35.CB other bump:2.15129 Ang Q4.NE2 and A35.CA neighbor-bump: 2.70788 Ang D29.OD1 and C30.SG other bump:2.78036 Ang I24.CG2 and S27.CB self-bump: 2.21527 Ang T25.CA and T25.OG1 other bump:1.98082 Ang K17.CE and F19.CZ other bump:1.99869 Ang K17.NZ and F19.CZ other bump:2.25095 Ang K17.CD and F19.CZ other bump:2.60916 Ang K17.CB and F19.CZ other bump:2.87073 Ang K17.CG and F19.CZ other bump:2.08128 Ang K17.CE and F19.CE2 other bump:1.93983 Ang K17.NZ and F19.CE2 other bump:3.11769 Ang K17.CD and F19.CE2 other bump:1.38585 Ang A14.O and F19.CE1 other bump:2.44591 Ang A14.C and F19.CE1 other bump:3.08779 Ang A14.CA and F19.CE1 other bump:2.76841 Ang K17.CB and F19.CE1 other bump:1.92378 Ang A14.O and F19.CD1 T0187 102 :KKPAALIFGGETVVHVKG 1g6hA 220 :IDHLYVMFNGQIIAEGRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58567 Ang H16.NE2 and K18.NZ other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG Number of specific fragments= 4 total=205 Number of alignments=27 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1g6hA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1g6hA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.96667 Ang L15.CD2 and I20.CD1 other bump:2.99226 Ang L15.CD2 and I20.CG1 T0187 31 :AILQETPKHL 1g6hA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.70939 Ang T7.OG1 and H10.CD2 other bump:2.40193 Ang E6.OE1 and H10.CB T0187 49 :GNVQKVCDEAKS 1g6hA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.37469 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 167 :ALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.90399 Ang M31.CE and L41.CD2 other bump:1.93211 Ang M31.CE and L41.CD1 other bump:2.58804 Ang M31.CE and L41.CG other bump:1.90928 Ang N8.O and P40.CD other bump:3.14351 Ang N8.C and P40.CD other bump:2.56466 Ang V34.CG2 and R39.NH2 other bump:2.55172 Ang V34.CB and R39.NH2 other bump:2.4383 Ang V34.CG1 and R39.NH2 other bump:2.06095 Ang E10.OE1 and R39.NH1 other bump:2.30109 Ang V34.CG1 and R39.CZ other bump:1.77316 Ang V34.CG1 and R39.NE other bump:2.91713 Ang V34.CG1 and R39.CD neighbor-bump: 2.70788 Ang D17.OD1 and C18.SG other bump:2.78036 Ang I12.CG2 and S15.CB self-bump: 2.21527 Ang T13.CA and T13.OG1 other bump:2.25095 Ang K5.CD and F7.CZ other bump:1.98082 Ang K5.CE and F7.CZ other bump:1.99869 Ang K5.NZ and F7.CZ other bump:2.60916 Ang K5.CB and F7.CZ other bump:2.87073 Ang K5.CG and F7.CZ other bump:3.11769 Ang K5.CD and F7.CE2 other bump:2.08128 Ang K5.CE and F7.CE2 other bump:1.93983 Ang K5.NZ and F7.CE2 other bump:3.08779 Ang A2.CA and F7.CE1 other bump:1.38585 Ang A2.O and F7.CE1 other bump:2.44591 Ang A2.C and F7.CE1 other bump:2.76841 Ang K5.CB and F7.CE1 other bump:1.92378 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1g6hA 220 :IDHLYVMFNGQIIAE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1g6hA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.73503 Ang I3.CG2 and G4.N self-bump: 1.32985 Ang I3.CA and I3.CB Number of specific fragments= 6 total=211 Number of alignments=28 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=212 Number of alignments=29 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=213 Number of alignments=30 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=214 Number of alignments=31 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jmxA/T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=215 Number of alignments=32 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 12 :DALKVLEKYG 1jztA 39 :VAQAVCRQFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O Number of specific fragments= 4 total=219 Number of alignments=33 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 12 :DALKVLEKYG 1jztA 39 :VAQAVCRQFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O Number of specific fragments= 4 total=223 Number of alignments=34 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 42 :NVEIHLIGNVQKVCDE 1jztA 58 :GKHVFVIAGPGNNGGD Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.77035 Ang K13.CG and E17.OE2 other bump:1.47369 Ang K13.O and E17.OE1 other bump:2.28537 Ang K13.C and E17.OE1 other bump:2.56395 Ang V14.CA and E17.OE1 other bump:2.27375 Ang K13.O and E17.CD other bump:3.12653 Ang K13.C and E17.CD other bump:1.42934 Ang N10.CA and C15.SG other bump:2.14856 Ang N10.CB and C15.SG other bump:1.74724 Ang N10.C and C15.SG other bump:1.82776 Ang N10.O and C15.SG other bump:2.24467 Ang N10.CG and C15.SG other bump:1.91861 Ang N10.OD1 and C15.SG other bump:2.27656 Ang G9.C and C15.SG other bump:1.20578 Ang N10.N and C15.SG other bump:3.17933 Ang N10.CA and C15.CB other bump:2.75723 Ang N10.C and C15.CB other bump:1.93426 Ang N10.O and C15.CB other bump:2.07229 Ang N10.OD1 and C15.CB other bump:2.7111 Ang N10.N and C15.CB other bump:2.28853 Ang N10.OD1 and C15.CA other bump:2.75316 Ang N10.CG and C15.N other bump:1.82351 Ang N10.OD1 and C15.N other bump:3.04001 Ang N10.ND2 and V14.CG1 other bump:2.45666 Ang N10.ND2 and V14.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 102 :KKPAALIF 1jztA 190 :INPAVLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.84707 Ang L7.CD2 and F9.CZ other bump:2.47701 Ang L7.CD2 and F9.CE1 Number of specific fragments= 4 total=227 Number of alignments=35 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jztA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1jztA/T0187-1jztA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 42 :NVEIHLIGNVQKVCDE 1jztA 58 :GKHVFVIAGPGNNGGD Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.77035 Ang K13.CG and E17.OE2 other bump:1.47369 Ang K13.O and E17.OE1 other bump:2.28537 Ang K13.C and E17.OE1 other bump:2.56395 Ang V14.CA and E17.OE1 other bump:2.27375 Ang K13.O and E17.CD other bump:3.12653 Ang K13.C and E17.CD other bump:1.42934 Ang N10.CA and C15.SG other bump:2.14856 Ang N10.CB and C15.SG other bump:1.74724 Ang N10.C and C15.SG other bump:1.82776 Ang N10.O and C15.SG other bump:2.24467 Ang N10.CG and C15.SG other bump:1.91861 Ang N10.OD1 and C15.SG other bump:2.27656 Ang G9.C and C15.SG other bump:1.20578 Ang N10.N and C15.SG other bump:3.17933 Ang N10.CA and C15.CB other bump:2.75723 Ang N10.C and C15.CB other bump:1.93426 Ang N10.O and C15.CB other bump:2.07229 Ang N10.OD1 and C15.CB other bump:2.7111 Ang N10.N and C15.CB other bump:2.28853 Ang N10.OD1 and C15.CA other bump:2.75316 Ang N10.CG and C15.N other bump:1.82351 Ang N10.OD1 and C15.N other bump:3.04001 Ang N10.ND2 and V14.CG1 other bump:2.45666 Ang N10.ND2 and V14.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 102 :KKPAALIF 1jztA 190 :INPAVLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.84707 Ang L7.CD2 and F9.CZ other bump:2.47701 Ang L7.CD2 and F9.CE1 Number of specific fragments= 4 total=231 Number of alignments=36 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1i58A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGG 1i58A 440 :GNNVVIEVEDDGRGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 126 :NQELALSAAI 1i58A 455 :DKEKIIRKAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 5 total=236 Number of alignments=37 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1i58A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 4 total=240 Number of alignments=38 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1i58A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 4 total=244 Number of alignments=39 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1i58A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1i58A/T0187-1i58A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGG 1i58A 440 :GNNVVIEVEDDGRGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 126 :NQELALSAAI 1i58A 455 :DKEKIIRKAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 5 total=249 Number of alignments=40 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1g6hA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 4 :W 1g6hA 5 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :PDSSTS 1g6hA 40 :GPNGSG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.77787 Ang P2.CB and T6.OG1 neighbor-bump: 2.14443 Ang S4.O and S5.CB neighbor-bump: 2.44254 Ang S4.C and S5.CB neighbor-bump: 1.62584 Ang G1.O and P2.CD neighbor-bump: 0.98693 Ang G1.C and P2.CD neighbor-bump: 2.2795 Ang G1.O and P2.CG neighbor-bump: 2.29331 Ang G1.C and P2.CG neighbor-bump: 2.63059 Ang G1.C and P2.CB T0187 12 :DALKVLEKYGIE 1g6hA 46 :KSTLINVITGFL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.03027 Ang K5.CE and K9.NZ other bump:1.89353 Ang K5.NZ and K9.NZ T0187 24 :TSESVKRAIL 1g6hA 74 :KEPAELYHYG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.45406 Ang T2.O and K7.CE other bump:2.68437 Ang T2.CG2 and V6.CG1 other bump:2.72113 Ang T2.CG2 and V6.CB T0187 34 :QETPKHLSNV 1g6hA 88 :FQTPQPLKEM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.97093 Ang L8.O and V11.CG1 other bump:2.84325 Ang L8.C and V11.CG1 T0187 49 :GNVQKVCDEAKSLAKEKGF 1g6hA 125 :PKEEEMVEKAFKILEFLKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKDR 1g6hA 173 :KMIVMDEPIAGVAPGLAHDIFNHVLELKAKGI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.97261 Ang V28.CG2 and R33.NH1 other bump:2.73441 Ang V28.CG1 and R33.NH1 other bump:3.01698 Ang V28.CG1 and R33.CZ other bump:2.88424 Ang V28.CG1 and R33.NE other bump:2.6022 Ang V28.CG1 and R33.CD other bump:3.01036 Ang V28.CG1 and R33.CB neighbor-bump: 2.70788 Ang D11.OD1 and C12.SG other bump:2.78036 Ang I6.CG2 and S9.CB self-bump: 2.21527 Ang T7.CA and T7.OG1 T0187 100 :PL 1g6hA 212 :RL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 105 :AALIFGGETVVHVKG 1g6hA 223 :LYVMFNGQIIAEGRG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.58567 Ang H13.NE2 and K15.NZ other bump:2.8876 Ang L4.CD1 and V12.CG1 other bump:2.93761 Ang L4.CD1 and V12.CB T0187 126 :NQELALSAA 1g6hA 238 :EEEIKNVLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 135 :IALEGIEG 1g6hA 249 :KVVEIYIG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.88812 Ang L4.CA and I7.CG2 other bump:2.07008 Ang L4.O and I7.CG2 other bump:2.75449 Ang L4.C and I7.CG2 Number of specific fragments= 11 total=260 Number of alignments=41 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1g6hA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1g6hA/T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSST 1g6hA 40 :GPNGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.75041 Ang P2.CB and T6.OG1 neighbor-bump: 2.14443 Ang S4.O and S5.CB neighbor-bump: 2.44254 Ang S4.C and S5.CB neighbor-bump: 1.62584 Ang G1.O and P2.CD neighbor-bump: 0.98693 Ang G1.C and P2.CD neighbor-bump: 2.2795 Ang G1.O and P2.CG neighbor-bump: 2.29331 Ang G1.C and P2.CG neighbor-bump: 2.63059 Ang G1.C and P2.CB T0187 12 :DALKVLEKYGIE 1g6hA 46 :KSTLINVITGFL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.03027 Ang K5.CE and K9.NZ other bump:1.89353 Ang K5.NZ and K9.NZ T0187 24 :TSESVKRAIL 1g6hA 74 :KEPAELYHYG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.45406 Ang T2.O and K7.CE other bump:2.68437 Ang T2.CG2 and V6.CG1 other bump:2.72113 Ang T2.CG2 and V6.CB T0187 34 :QETPKHLSNV 1g6hA 89 :QTPQPLKEMT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 49 :GNVQKVCDEAKSLAKEKGF 1g6hA 125 :PKEEEMVEKAFKILEFLKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKDR 1g6hA 173 :KMIVMDEPIAGVAPGLAHDIFNHVLELKAKGI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.97261 Ang V28.CG2 and R33.NH1 other bump:2.73441 Ang V28.CG1 and R33.NH1 other bump:3.01698 Ang V28.CG1 and R33.CZ other bump:2.88424 Ang V28.CG1 and R33.NE other bump:2.6022 Ang V28.CG1 and R33.CD other bump:3.01036 Ang V28.CG1 and R33.CB neighbor-bump: 2.70788 Ang D11.OD1 and C12.SG other bump:2.78036 Ang I6.CG2 and S9.CB self-bump: 2.21527 Ang T7.CA and T7.OG1 T0187 100 :PLKKP 1g6hA 210 :EHRLD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 1.86244 Ang K5.C and P6.CD neighbor-bump: 2.72397 Ang K5.C and P6.CG self-bump: 1.36336 Ang P6.CA and P6.CB T0187 105 :AALIFGGETVVHVKG 1g6hA 223 :LYVMFNGQIIAEGRG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.58567 Ang H13.NE2 and K15.NZ other bump:2.8876 Ang L4.CD1 and V12.CG1 other bump:2.93761 Ang L4.CD1 and V12.CB T0187 126 :NQELALSAA 1g6hA 238 :EEEIKNVLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 135 :IALEGIEG 1g6hA 249 :KVVEIYIG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.88812 Ang L4.CA and I7.CG2 other bump:2.07008 Ang L4.O and I7.CG2 other bump:2.75449 Ang L4.C and I7.CG2 Number of specific fragments= 10 total=270 Number of alignments=42 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 79 :EAREAGRFIASIMKEVKFKD 1ex2A 45 :NVQWLAKQKAKAVADLHPHA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.91279 Ang K18.O and D21.OD1 other bump:2.6458 Ang E16.O and F19.CZ other bump:2.51851 Ang E16.O and F19.CE2 other bump:2.81223 Ang E5.CG and F9.CE1 T0187 107 :LIFGGETVVHVKGN 1ex2A 65 :IVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 4 total=274 Number of alignments=43 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 46 :HLIGNVQKV 1ex2A 5 :LILASQSPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 58 :AKSLAKEKGFNAEIITTSLD 1ex2A 14 :RKELLDLLQLPYSIIVSEVE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.10265 Ang K9.CB and F11.CE1 other bump:2.56828 Ang K9.O and F11.CD1 other bump:2.67101 Ang K9.CB and F11.CD1 other bump:1.96876 Ang S4.O and E8.OE2 other bump:2.38416 Ang S4.O and E8.OE1 other bump:1.46906 Ang L5.O and E8.OE1 other bump:1.89298 Ang L5.C and E8.OE1 other bump:2.23353 Ang L5.CA and E8.OE1 other bump:2.37758 Ang S4.O and E8.CD other bump:3.07359 Ang L5.C and E8.CD other bump:2.9594 Ang L5.CA and E8.CD other bump:2.33022 Ang K3.CE and K7.NZ other bump:2.42893 Ang K3.CD and K7.NZ other bump:1.56424 Ang K3.NZ and K7.NZ other bump:1.94668 Ang K3.CE and K7.CE other bump:2.01501 Ang K3.CD and K7.CE other bump:1.43131 Ang K3.NZ and K7.CE other bump:2.7599 Ang K3.NZ and K7.CD T0187 78 :CEAREAGRFIASIMKEV 1ex2A 44 :ENVQWLAKQKAKAVADL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.81223 Ang E6.CG and F10.CE1 T0187 103 :KPAALIFGGETVVHVKGN 1ex2A 61 :HPHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 6 total=280 Number of alignments=44 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 79 :EAREAGRFIASIMKEVKFKD 1ex2A 45 :NVQWLAKQKAKAVADLHPHA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.91279 Ang K18.O and D21.OD1 other bump:2.6458 Ang E16.O and F19.CZ other bump:2.51851 Ang E16.O and F19.CE2 other bump:2.81223 Ang E5.CG and F9.CE1 T0187 107 :LIFGGETVVHVKGN 1ex2A 65 :IVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 4 total=284 Number of alignments=45 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1ex2A/T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 46 :HLIGNVQKV 1ex2A 5 :LILASQSPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 58 :AKSLAKEKGFNAEIITTSLD 1ex2A 14 :RKELLDLLQLPYSIIVSEVE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.10265 Ang K9.CB and F11.CE1 other bump:2.56828 Ang K9.O and F11.CD1 other bump:2.67101 Ang K9.CB and F11.CD1 other bump:1.96876 Ang S4.O and E8.OE2 other bump:2.38416 Ang S4.O and E8.OE1 other bump:1.46906 Ang L5.O and E8.OE1 other bump:1.89298 Ang L5.C and E8.OE1 other bump:2.23353 Ang L5.CA and E8.OE1 other bump:2.37758 Ang S4.O and E8.CD other bump:3.07359 Ang L5.C and E8.CD other bump:2.9594 Ang L5.CA and E8.CD other bump:2.33022 Ang K3.CE and K7.NZ other bump:2.42893 Ang K3.CD and K7.NZ other bump:1.56424 Ang K3.NZ and K7.NZ other bump:1.94668 Ang K3.CE and K7.CE other bump:2.01501 Ang K3.CD and K7.CE other bump:1.43131 Ang K3.NZ and K7.CE other bump:2.7599 Ang K3.NZ and K7.CD T0187 78 :CEAREAGRFIASIMKEV 1ex2A 44 :ENVQWLAKQKAKAVADL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.81223 Ang E6.CG and F10.CE1 T0187 103 :KPAALIFGGETVVHVKGN 1ex2A 61 :HPHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 6 total=290 Number of alignments=46 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1lucA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # adding 1lucA to template set 1lucA:Skipped atom 1916, because occupancy 0.3 <= existing 0.700001 Skipped atom 2439, because occupancy 0.3 <= existing 0.700001 Skipped atom 2572, because occupancy 1 <= existing 1 # found chain 1lucA in template set T0187 35 :ETPKHLSNV 1lucA 292 :IDYSYEINP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.14566 Ang E2.CD and K5.NZ other bump:0.943073 Ang E2.OE1 and K5.NZ other bump:2.26892 Ang E2.CB and K5.NZ other bump:1.66012 Ang E2.CG and K5.NZ other bump:1.28433 Ang E2.CD and K5.CE other bump:1.07456 Ang E2.OE1 and K5.CE other bump:2.29341 Ang E2.CA and K5.CE other bump:2.47963 Ang E2.CB and K5.CE other bump:2.25094 Ang E2.CG and K5.CE other bump:2.74448 Ang E2.CD and K5.CD other bump:1.88172 Ang E2.OE1 and K5.CD other bump:2.70697 Ang E2.CA and K5.CD other bump:2.89145 Ang E2.CA and K5.CG other bump:3.06549 Ang E2.C and K5.CG neighbor-bump: 2.65094 Ang T3.CB and P4.CD neighbor-bump: 2.12837 Ang T3.C and P4.CD self-bump: 1.32353 Ang P4.N and P4.CD self-bump: 2.202 Ang P4.N and P4.CG T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKE 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 2 total=292 Number of alignments=47 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1lucA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.91037 Ang V5.CG1 and V48.CG2 other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:2.69534 Ang V5.CG2 and E47.OE1 other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=293 Number of alignments=48 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1lucA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.91037 Ang V5.CG1 and V48.CG2 other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:2.69534 Ang V5.CG2 and E47.OE1 other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=294 Number of alignments=49 # Reading fragments from alignment file # T0187 read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1lucA read from /projects/compbio/experiments/casp5/t0187/t0187-201-350/1lucA/T0187-1lucA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 35 :ETPKHLSNV 1lucA 292 :IDYSYEINP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.14566 Ang E2.CD and K5.NZ other bump:0.943073 Ang E2.OE1 and K5.NZ other bump:2.26892 Ang E2.CB and K5.NZ other bump:1.66012 Ang E2.CG and K5.NZ other bump:1.28433 Ang E2.CD and K5.CE other bump:1.07456 Ang E2.OE1 and K5.CE other bump:2.29341 Ang E2.CA and K5.CE other bump:2.47963 Ang E2.CB and K5.CE other bump:2.25094 Ang E2.CG and K5.CE other bump:2.74448 Ang E2.CD and K5.CD other bump:1.88172 Ang E2.OE1 and K5.CD other bump:2.70697 Ang E2.CA and K5.CD other bump:2.89145 Ang E2.CA and K5.CG other bump:3.06549 Ang E2.C and K5.CG neighbor-bump: 2.65094 Ang T3.CB and P4.CD neighbor-bump: 2.12837 Ang T3.C and P4.CD self-bump: 1.32353 Ang P4.N and P4.CD self-bump: 2.202 Ang P4.N and P4.CG T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKE 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 2 total=296 Number of alignments=50 # command:# Reading fragments from alignment file # T0187 read from T0187.t2k-2track-undertaker.a2m # command:# reading script from file try-alignments.under # Prefix for input files set to 1srvA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1srvA-T0187-local-adpstyle1.pw.a2m.gz # 1srvA read from 1srvA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 32 :ILQETPKHLSNVEIHLIGNVQKVC 1srvA 301 :ISEELGFKLENATLSMLGRAERVR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.84636 Ang I2.CD1 and V13.CG2 other bump:2.78903 Ang I2.CG1 and K8.CE other bump:3.15294 Ang I2.CG1 and K8.CD other bump:2.82698 Ang I2.CG2 and K8.CD other bump:2.89112 Ang E5.C and P7.CD self-bump: 1.25899 Ang P7.N and P7.CD neighbor-bump: 2.28404 Ang T6.N and P7.CD neighbor-bump: 1.43019 Ang T6.CA and P7.CD neighbor-bump: 1.66389 Ang T6.O and P7.CD neighbor-bump: 0.556724 Ang T6.C and P7.CD self-bump: 2.08845 Ang P7.N and P7.CG neighbor-bump: 2.66181 Ang T6.CA and P7.CG neighbor-bump: 1.44734 Ang T6.O and P7.CG neighbor-bump: 1.59135 Ang T6.C and P7.CG neighbor-bump: 1.75492 Ang T6.O and P7.CB neighbor-bump: 2.23526 Ang T6.C and P7.CB Number of specific fragments= 1 total=297 Number of alignments=51 # Reading fragments from alignment file # T0187 read from 1srvA-T0187-local-adpstyle5.pw.a2m.gz # 1srvA read from 1srvA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 32 :ILQETPKHLSNVEIHLIGNVQKVC 1srvA 301 :ISEELGFKLENATLSMLGRAERVR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.84636 Ang I2.CD1 and V13.CG2 other bump:2.78903 Ang I2.CG1 and K8.CE other bump:3.15294 Ang I2.CG1 and K8.CD other bump:2.82698 Ang I2.CG2 and K8.CD other bump:2.89112 Ang E5.C and P7.CD self-bump: 1.25899 Ang P7.N and P7.CD neighbor-bump: 2.28404 Ang T6.N and P7.CD neighbor-bump: 1.43019 Ang T6.CA and P7.CD neighbor-bump: 1.66389 Ang T6.O and P7.CD neighbor-bump: 0.556724 Ang T6.C and P7.CD self-bump: 2.08845 Ang P7.N and P7.CG neighbor-bump: 2.66181 Ang T6.CA and P7.CG neighbor-bump: 1.44734 Ang T6.O and P7.CG neighbor-bump: 1.59135 Ang T6.C and P7.CG neighbor-bump: 1.75492 Ang T6.O and P7.CB neighbor-bump: 2.23526 Ang T6.C and P7.CB Number of specific fragments= 1 total=298 Number of alignments=52 # Reading fragments from alignment file # T0187 read from 1srvA-T0187-vit-adpstyle1.pw.a2m.gz # 1srvA read from 1srvA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 32 :ILQETPKHLSNVEIHLIGNVQKVC 1srvA 301 :ISEELGFKLENATLSMLGRAERVR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.84636 Ang I2.CD1 and V13.CG2 other bump:2.78903 Ang I2.CG1 and K8.CE other bump:3.15294 Ang I2.CG1 and K8.CD other bump:2.82698 Ang I2.CG2 and K8.CD other bump:2.89112 Ang E5.C and P7.CD self-bump: 1.25899 Ang P7.N and P7.CD neighbor-bump: 2.28404 Ang T6.N and P7.CD neighbor-bump: 1.43019 Ang T6.CA and P7.CD neighbor-bump: 1.66389 Ang T6.O and P7.CD neighbor-bump: 0.556724 Ang T6.C and P7.CD self-bump: 2.08845 Ang P7.N and P7.CG neighbor-bump: 2.66181 Ang T6.CA and P7.CG neighbor-bump: 1.44734 Ang T6.O and P7.CG neighbor-bump: 1.59135 Ang T6.C and P7.CG neighbor-bump: 1.75492 Ang T6.O and P7.CB neighbor-bump: 2.23526 Ang T6.C and P7.CB Number of specific fragments= 1 total=299 Number of alignments=53 # Reading fragments from alignment file # T0187 read from 1srvA-T0187-vit-adpstyle5.pw.a2m.gz # 1srvA read from 1srvA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 32 :ILQETPKHLSNVEIHLIGNVQKVC 1srvA 301 :ISEELGFKLENATLSMLGRAERVR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.84636 Ang I2.CD1 and V13.CG2 other bump:2.78903 Ang I2.CG1 and K8.CE other bump:3.15294 Ang I2.CG1 and K8.CD other bump:2.82698 Ang I2.CG2 and K8.CD other bump:2.89112 Ang E5.C and P7.CD self-bump: 1.25899 Ang P7.N and P7.CD neighbor-bump: 2.28404 Ang T6.N and P7.CD neighbor-bump: 1.43019 Ang T6.CA and P7.CD neighbor-bump: 1.66389 Ang T6.O and P7.CD neighbor-bump: 0.556724 Ang T6.C and P7.CD self-bump: 2.08845 Ang P7.N and P7.CG neighbor-bump: 2.66181 Ang T6.CA and P7.CG neighbor-bump: 1.44734 Ang T6.O and P7.CG neighbor-bump: 1.59135 Ang T6.C and P7.CG neighbor-bump: 1.75492 Ang T6.O and P7.CB neighbor-bump: 2.23526 Ang T6.C and P7.CB Number of specific fragments= 1 total=300 Number of alignments=54 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSS 1srvA 192 :GYQFDKGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 26 :ESVKRAILQETPKHLSNVEIHLI 1srvA 200 :ISPYFVTNPETMEAVLEDAFILI Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.70094 Ang H22.CD2 and I24.CD1 other bump:2.37598 Ang H22.NE2 and I24.CG1 other bump:2.5234 Ang H22.CD2 and I24.CG1 other bump:1.14725 Ang S17.CB and E20.OE2 other bump:2.64429 Ang S17.C and E20.OE2 other bump:2.17299 Ang S17.OG and E20.OE2 other bump:2.04974 Ang S17.CA and E20.OE2 other bump:1.85161 Ang S17.CB and E20.CD other bump:2.73108 Ang S17.OG and E20.CD other bump:3.07288 Ang S17.CA and E20.CD other bump:2.63701 Ang S17.CB and E20.CG other bump:2.55918 Ang H15.NE2 and S17.OG other bump:2.82779 Ang I8.CG1 and H15.CE1 other bump:2.77119 Ang I8.CD1 and H15.ND1 other bump:2.10053 Ang I8.CG1 and H15.ND1 neighbor-bump: 1.95766 Ang T12.O and P13.CD neighbor-bump: 1.61162 Ang T12.C and P13.CD self-bump: 2.23461 Ang P13.CA and P13.CD self-bump: 1.39828 Ang P13.CA and P13.CB other bump:2.07204 Ang L9.CD2 and T12.OG1 other bump:2.96393 Ang L9.CD2 and T12.CG2 other bump:3.03022 Ang L9.CD2 and T12.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDR 1srvA 259 :LATLVVNKLRGTL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 113 :TVVHVKGNGIGGRNQELALSAAIALEGIE 1srvA 272 :SVAAVKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.27556 Ang A19.CB and E30.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 6 total=306 Number of alignments=55 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSSTS 1srvA 192 :GYQFDKGYIS Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.39185 Ang S8.OG and S10.O other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 28 :VKRAILQETPKHLSNVEIHLI 1srvA 202 :PYFVTNPETMEAVLEDAFILI Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.70094 Ang H20.CD2 and I22.CD1 other bump:2.37598 Ang H20.NE2 and I22.CG1 other bump:2.5234 Ang H20.CD2 and I22.CG1 other bump:1.14725 Ang S15.CB and E18.OE2 other bump:2.64429 Ang S15.C and E18.OE2 other bump:2.17299 Ang S15.OG and E18.OE2 other bump:2.04974 Ang S15.CA and E18.OE2 other bump:1.85161 Ang S15.CB and E18.CD other bump:2.73108 Ang S15.OG and E18.CD other bump:3.07288 Ang S15.CA and E18.CD other bump:2.63701 Ang S15.CB and E18.CG other bump:2.55918 Ang H13.NE2 and S15.OG other bump:2.82779 Ang I6.CG1 and H13.CE1 other bump:2.77119 Ang I6.CD1 and H13.ND1 other bump:2.10053 Ang I6.CG1 and H13.ND1 neighbor-bump: 1.95766 Ang T10.O and P11.CD neighbor-bump: 1.61162 Ang T10.C and P11.CD self-bump: 2.23461 Ang P11.CA and P11.CD self-bump: 1.39828 Ang P11.CA and P11.CB other bump:2.07204 Ang L7.CD2 and T10.OG1 other bump:2.96393 Ang L7.CD2 and T10.CG2 other bump:3.03022 Ang L7.CD2 and T10.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDR 1srvA 260 :ATLVVNKLRGTL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 113 :TVVHVKGNGIGGRNQELALSAAIALEGIE 1srvA 272 :SVAAVKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.27556 Ang A19.CB and E30.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 6 total=312 Number of alignments=56 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDR 1srvA 259 :LATLVVNKLRGTL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 113 :TVVHVKGNGIGGRNQELALSAAIALEGI 1srvA 272 :SVAAVKAPGFGDRRKEMLKDIAAVTGGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues Number of specific fragments= 3 total=315 Number of alignments=57 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 42 :NVEIHLI 1srvA 216 :EDAFILI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.70094 Ang H6.CD2 and I8.CD1 other bump:2.37598 Ang H6.NE2 and I8.CG1 other bump:2.5234 Ang H6.CD2 and I8.CG1 other bump:2.64429 Ang G1.C and E4.OE2 T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDR 1srvA 260 :ATLVVNKLRGTL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 113 :TVVHVKGNGIGGRNQELALSAAIALE 1srvA 272 :SVAAVKAPGFGDRRKEMLKDIAAVTG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues Number of specific fragments= 4 total=319 Number of alignments=58 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSS 1srvA 192 :GYQFDKGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 26 :ESVKRAILQETPKHLSNVEIHLI 1srvA 200 :ISPYFVTNPETMEAVLEDAFILI Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.70094 Ang H22.CD2 and I24.CD1 other bump:2.37598 Ang H22.NE2 and I24.CG1 other bump:2.5234 Ang H22.CD2 and I24.CG1 other bump:1.14725 Ang S17.CB and E20.OE2 other bump:2.64429 Ang S17.C and E20.OE2 other bump:2.17299 Ang S17.OG and E20.OE2 other bump:2.04974 Ang S17.CA and E20.OE2 other bump:1.85161 Ang S17.CB and E20.CD other bump:2.73108 Ang S17.OG and E20.CD other bump:3.07288 Ang S17.CA and E20.CD other bump:2.63701 Ang S17.CB and E20.CG other bump:2.55918 Ang H15.NE2 and S17.OG other bump:2.82779 Ang I8.CG1 and H15.CE1 other bump:2.77119 Ang I8.CD1 and H15.ND1 other bump:2.10053 Ang I8.CG1 and H15.ND1 neighbor-bump: 1.95766 Ang T12.O and P13.CD neighbor-bump: 1.61162 Ang T12.C and P13.CD self-bump: 2.23461 Ang P13.CA and P13.CD self-bump: 1.39828 Ang P13.CA and P13.CB other bump:2.07204 Ang L9.CD2 and T12.OG1 other bump:2.96393 Ang L9.CD2 and T12.CG2 other bump:3.03022 Ang L9.CD2 and T12.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 83 :AGRFIASIMK 1srvA 259 :LATLVVNKLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 110 :GGETVVHVKGNGIGGRNQELALSAAIALEGIE 1srvA 269 :GTLSVAAVKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.27556 Ang A22.CB and E33.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 6 total=325 Number of alignments=59 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSS 1srvA 192 :GYQFDKGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 26 :ESVKRAILQETPKHLSNVEIHLI 1srvA 200 :ISPYFVTNPETMEAVLEDAFILI Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.70094 Ang H22.CD2 and I24.CD1 other bump:2.37598 Ang H22.NE2 and I24.CG1 other bump:2.5234 Ang H22.CD2 and I24.CG1 other bump:1.14725 Ang S17.CB and E20.OE2 other bump:2.64429 Ang S17.C and E20.OE2 other bump:2.17299 Ang S17.OG and E20.OE2 other bump:2.04974 Ang S17.CA and E20.OE2 other bump:1.85161 Ang S17.CB and E20.CD other bump:2.73108 Ang S17.OG and E20.CD other bump:3.07288 Ang S17.CA and E20.CD other bump:2.63701 Ang S17.CB and E20.CG other bump:2.55918 Ang H15.NE2 and S17.OG other bump:2.82779 Ang I8.CG1 and H15.CE1 other bump:2.77119 Ang I8.CD1 and H15.ND1 other bump:2.10053 Ang I8.CG1 and H15.ND1 neighbor-bump: 1.95766 Ang T12.O and P13.CD neighbor-bump: 1.61162 Ang T12.C and P13.CD self-bump: 2.23461 Ang P13.CA and P13.CD self-bump: 1.39828 Ang P13.CA and P13.CB other bump:2.07204 Ang L9.CD2 and T12.OG1 other bump:2.96393 Ang L9.CD2 and T12.CG2 other bump:3.03022 Ang L9.CD2 and T12.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKF 1srvA 260 :ATLVVNKLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03698 Ang M5.SD and K9.NZ T0187 110 :GGETVVHVKGNGIGGRNQELALSAAIALEGIE 1srvA 269 :GTLSVAAVKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.27556 Ang A22.CB and E33.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 6 total=331 Number of alignments=60 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 83 :AGRFIASIMK 1srvA 259 :LATLVVNKLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 110 :GGETVVHVKGNGIGGRNQELALSAAIALEG 1srvA 269 :GTLSVAAVKAPGFGDRRKEMLKDIAAVTGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 3 total=334 Number of alignments=61 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 33 :LQETPKHLSNVEIHLI 1srvA 207 :NPETMEAVLEDAFILI Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.70094 Ang H15.CD2 and I17.CD1 other bump:2.5234 Ang H15.CD2 and I17.CG1 other bump:2.37598 Ang H15.NE2 and I17.CG1 other bump:1.14725 Ang S10.CB and E13.OE2 other bump:2.64429 Ang S10.C and E13.OE2 other bump:2.17299 Ang S10.OG and E13.OE2 other bump:2.04974 Ang S10.CA and E13.OE2 other bump:1.85161 Ang S10.CB and E13.CD other bump:2.73108 Ang S10.OG and E13.CD other bump:3.07288 Ang S10.CA and E13.CD other bump:2.63701 Ang S10.CB and E13.CG other bump:2.55918 Ang H8.NE2 and S10.OG neighbor-bump: 1.95766 Ang T5.O and P6.CD neighbor-bump: 1.61162 Ang T5.C and P6.CD self-bump: 2.23461 Ang P6.CA and P6.CD self-bump: 1.39828 Ang P6.CA and P6.CB other bump:2.07205 Ang L2.CD2 and T5.OG1 other bump:2.96393 Ang L2.CD2 and T5.CG2 other bump:3.03022 Ang L2.CD2 and T5.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKF 1srvA 260 :ATLVVNKLR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03698 Ang M5.SD and K9.NZ T0187 110 :GGETVVHVKGNGIGGRNQELALSAAIA 1srvA 269 :GTLSVAAVKAPGFGDRRKEMLKDIAAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues Number of specific fragments= 4 total=338 Number of alignments=62 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSS 1srvA 192 :GYQFDKGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 26 :ESVKRAIL 1srvA 200 :ISPYFVTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 34 :QETPKHLSNVEIHLI 1srvA 209 :ETMEAVLEDAFILIV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.68174 Ang V11.CG1 and E12.O other bump:2.62968 Ang L8.CB and V11.CG2 other bump:3.19379 Ang L8.C and V11.CG2 neighbor-bump: 2.27562 Ang E3.O and T4.OG1 self-bump: 1.39069 Ang Q2.CA and Q2.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDRPLKK 1srvA 259 :LATLVVNKLRGTLSVAA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65899 Ang I5.CD1 and K18.NZ other bump:1.8487 Ang I5.CG1 and K18.NZ other bump:2.2579 Ang I5.CG2 and K18.NZ other bump:2.43789 Ang I5.CB and K18.NZ other bump:1.13255 Ang I5.CD1 and K18.CE other bump:2.37149 Ang I5.CG1 and K18.CE other bump:2.10733 Ang I5.CD1 and K18.CD other bump:1.50789 Ang R14.NH1 and L16.CD1 other bump:3.06208 Ang R14.NE and L16.CD1 other bump:2.30418 Ang R14.CZ and L16.CD1 other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 117 :VKGNGIGGRNQELALSAAIALEGIE 1srvA 276 :VKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.27556 Ang A15.CB and E26.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 7 total=345 Number of alignments=63 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPDSS 1srvA 192 :GYQFDKGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.05531 Ang W4.CZ3 and D6.CG other bump:2.8514 Ang W4.CE3 and D6.CB other bump:2.02908 Ang W4.CZ3 and D6.CB other bump:3.00855 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 24 :TSESV 1srvA 200 :ISPYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 31 :AIL 1srvA 205 :VTN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 34 :QETPKHLSNVEIHLI 1srvA 209 :ETMEAVLEDAFILIV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.68174 Ang V11.CG1 and E12.O other bump:2.62968 Ang L8.CB and V11.CG2 other bump:3.19379 Ang L8.C and V11.CG2 neighbor-bump: 2.27562 Ang E3.O and T4.OG1 self-bump: 1.39069 Ang Q2.CA and Q2.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDRPL 1srvA 260 :ATLVVNKLRGTLSV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.37129 Ang R13.CZ and L15.CD1 other bump:1.69059 Ang R13.NH1 and L15.CD1 other bump:2.91365 Ang R13.NE and L15.CD1 other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 115 :VHVKGNGIGGRNQELALSAAIALEGIE 1srvA 274 :AAVKAPGFGDRRKEMLKDIAAVTGGTV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.27556 Ang A17.CB and E28.OE1 T0187 142 :GVILCSAG 1srvA 328 :DETTIVGG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 2.67169 Ang S7.C and A8.CB Number of specific fragments= 8 total=353 Number of alignments=64 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPD 1srvA 192 :GYQFDK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.06441 Ang W4.CE3 and D6.OD2 other bump:2.65678 Ang W4.CZ3 and D6.OD2 other bump:3.0273 Ang W4.CE3 and D6.CG other bump:2.58221 Ang W4.CZ3 and D6.CG other bump:2.60091 Ang W4.CE3 and D6.CB other bump:1.76012 Ang W4.CZ3 and D6.CB other bump:2.76489 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 22 :IETSESV 1srvA 198 :GYISPYF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.62346 Ang E3.CG and V8.CG1 other bump:2.04732 Ang E3.CD and V8.CG1 other bump:1.85672 Ang E3.OE1 and V8.CG1 other bump:2.80486 Ang E3.OE2 and V8.CG1 T0187 35 :ETPKHLS 1srvA 205 :VTNPETM Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.92813 Ang E2.OE2 and G9.CA other bump:2.02372 Ang E2.OE2 and G9.N other bump:2.68048 Ang E2.CD and G9.N other bump:1.89891 Ang E2.OE2 and S8.C other bump:2.99236 Ang E2.CD and S8.C other bump:2.29711 Ang E2.OE2 and S8.CA other bump:3.16943 Ang E2.CD and S8.CA other bump:3.17196 Ang E2.CD and P4.C other bump:2.7406 Ang E2.OE1 and P4.C other bump:2.68265 Ang E2.CD and P4.O other bump:2.47283 Ang E2.OE1 and P4.CD neighbor-bump: 2.32275 Ang T3.CG2 and P4.CD other bump:2.3172 Ang E2.OE1 and P4.N T0187 42 :NVEIHLI 1srvA 217 :DAFILIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.68174 Ang V3.CG1 and E4.O T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKD 1srvA 259 :LATLVVNKLRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.47319 Ang E7.O and K11.CG other bump:3.11606 Ang K6.CE and F10.CZ other bump:2.79645 Ang K6.NZ and F10.CZ other bump:2.61325 Ang K6.CG and F10.CE1 other bump:2.68976 Ang K6.CE and F10.CE1 other bump:2.00687 Ang K6.NZ and F10.CE1 other bump:2.99949 Ang K6.NZ and F10.CD1 T0187 102 :KKPAALIF 1srvA 270 :TLSVAAVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 119 :GNGIGGRNQELALSAAIAL 1srvA 278 :APGFGDRRKEMLKDIAAVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 141 :EGVIL 1srvA 297 :GGTVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 9 total=362 Number of alignments=65 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 1 :GPAWPD 1srvA 192 :GYQFDK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:3.06824 Ang W4.CH2 and D6.O other bump:3.06441 Ang W4.CE3 and D6.OD2 other bump:2.65678 Ang W4.CZ3 and D6.OD2 other bump:3.0273 Ang W4.CE3 and D6.CG other bump:2.58221 Ang W4.CZ3 and D6.CG other bump:2.60091 Ang W4.CE3 and D6.CB other bump:1.76012 Ang W4.CZ3 and D6.CB other bump:2.76489 Ang W4.CH2 and D6.CB other bump:3.30304 Ang W4.CE3 and D6.CA other bump:2.8661 Ang W4.CZ3 and D6.CA other bump:2.88562 Ang W4.CE3 and D6.N other bump:3.11327 Ang W4.CZ3 and D6.N neighbor-bump: 1.957 Ang W4.CA and P5.CD neighbor-bump: 1.69703 Ang W4.C and P5.CD self-bump: 1.29305 Ang P5.N and P5.CD self-bump: 2.12336 Ang P5.N and P5.CG self-bump: 2.13175 Ang P5.N and P5.CB T0187 22 :IETSESV 1srvA 198 :GYISPYF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.62346 Ang E3.CG and V8.CG1 other bump:2.04732 Ang E3.CD and V8.CG1 other bump:1.85672 Ang E3.OE1 and V8.CG1 other bump:2.80486 Ang E3.OE2 and V8.CG1 T0187 35 :ETPKHLS 1srvA 205 :VTNPETM Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.92813 Ang E2.OE2 and G9.CA other bump:2.02372 Ang E2.OE2 and G9.N other bump:2.68048 Ang E2.CD and G9.N other bump:1.89891 Ang E2.OE2 and S8.C other bump:2.99236 Ang E2.CD and S8.C other bump:2.29711 Ang E2.OE2 and S8.CA other bump:3.16943 Ang E2.CD and S8.CA other bump:3.17196 Ang E2.CD and P4.C other bump:2.7406 Ang E2.OE1 and P4.C other bump:2.68265 Ang E2.CD and P4.O other bump:2.47283 Ang E2.OE1 and P4.CD neighbor-bump: 2.32275 Ang T3.CG2 and P4.CD other bump:2.3172 Ang E2.OE1 and P4.N T0187 42 :NVEIHLI 1srvA 217 :DAFILIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.68174 Ang V3.CG1 and E4.O T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :AS 1srvA 260 :AT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 91 :MKEVKFKD 1srvA 262 :LVVNKLRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.47319 Ang E4.O and K8.CG other bump:3.11606 Ang K3.CE and F7.CZ other bump:2.79645 Ang K3.NZ and F7.CZ other bump:2.61325 Ang K3.CG and F7.CE1 other bump:2.68976 Ang K3.CE and F7.CE1 other bump:2.00687 Ang K3.NZ and F7.CE1 other bump:2.9995 Ang K3.NZ and F7.CD1 T0187 102 :KKPAALIFG 1srvA 270 :TLSVAAVKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 120 :NGIG 1srvA 279 :PGFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 125 :RNQELALSAAIALEGI 1srvA 283 :DRRKEMLKDIAAVTGG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.44797 Ang I17.CG2 and G18.N other bump:2.84928 Ang I12.CG2 and I17.C other bump:2.14198 Ang I12.CG2 and I17.O T0187 143 :VIL 1srvA 299 :TVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 11 total=373 Number of alignments=66 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDRPLKK 1srvA 259 :LATLVVNKLRGTLSVAA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65899 Ang I5.CD1 and K18.NZ other bump:1.8487 Ang I5.CG1 and K18.NZ other bump:2.2579 Ang I5.CG2 and K18.NZ other bump:2.43789 Ang I5.CB and K18.NZ other bump:1.13255 Ang I5.CD1 and K18.CE other bump:2.37149 Ang I5.CG1 and K18.CE other bump:2.10733 Ang I5.CD1 and K18.CD other bump:1.50789 Ang R14.NH1 and L16.CD1 other bump:3.06208 Ang R14.NE and L16.CD1 other bump:2.30418 Ang R14.CZ and L16.CD1 other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 117 :VKGNGIGGRNQELALSAAIALEGI 1srvA 276 :VKAPGFGDRRKEMLKDIAAVTGGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues Number of specific fragments= 3 total=376 Number of alignments=67 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 40 :LSNVEIHLI 1srvA 215 :LEDAFILIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.68174 Ang V5.CG1 and E6.O other bump:2.62968 Ang L2.CB and V5.CG2 other bump:3.19379 Ang L2.C and V5.CG2 T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDRPL 1srvA 260 :ATLVVNKLRGTLSV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.37129 Ang R13.CZ and L15.CD1 other bump:1.69059 Ang R13.NH1 and L15.CD1 other bump:2.91365 Ang R13.NE and L15.CD1 other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 115 :VHVKGNGIGGRNQELALSAAIALEG 1srvA 274 :AAVKAPGFGDRRKEMLKDIAAVTGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues Number of specific fragments= 4 total=380 Number of alignments=68 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG other bump:2.56984 Ang Q5.CG and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 87 :IASIMKEVKFKDRPLKK 1srvA 259 :LATLVVNKLRGTLSVAA Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:1.65899 Ang I5.CD1 and K18.NZ other bump:1.8487 Ang I5.CG1 and K18.NZ other bump:2.2579 Ang I5.CG2 and K18.NZ other bump:2.43789 Ang I5.CB and K18.NZ other bump:1.13255 Ang I5.CD1 and K18.CE other bump:2.37149 Ang I5.CG1 and K18.CE other bump:2.10733 Ang I5.CD1 and K18.CD other bump:1.50789 Ang R14.NH1 and L16.CD1 other bump:3.06208 Ang R14.NE and L16.CD1 other bump:2.30418 Ang R14.CZ and L16.CD1 other bump:1.47516 Ang F11.CD2 and D13.OD2 other bump:1.9293 Ang F11.CE2 and D13.OD2 other bump:2.66839 Ang F11.CG and D13.OD2 other bump:2.45372 Ang F11.CD2 and D13.OD1 other bump:2.0848 Ang F11.CE2 and D13.OD1 other bump:2.08738 Ang F11.CD2 and D13.CG other bump:2.24944 Ang F11.CE2 and D13.CG other bump:2.14907 Ang E8.OE1 and D13.CB other bump:3.03698 Ang M6.SD and K10.NZ T0187 117 :VKGNGIGGRNQELALSAAIALEGI 1srvA 276 :VKAPGFGDRRKEMLKDIAAVTGGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues Number of specific fragments= 3 total=383 Number of alignments=69 # Reading fragments from alignment file # T0187 read from T0187-1srvA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 40 :LSNVEIHLI 1srvA 215 :LEDAFILIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.68174 Ang V5.CG1 and E6.O other bump:2.62968 Ang L2.CB and V5.CG2 other bump:3.19379 Ang L2.C and V5.CG2 T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAR 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 88 :ASIMKEVKFKDRPL 1srvA 260 :ATLVVNKLRGTLSV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.37129 Ang R13.CZ and L15.CD1 other bump:1.69059 Ang R13.NH1 and L15.CD1 other bump:2.91365 Ang R13.NE and L15.CD1 other bump:1.47516 Ang F10.CD2 and D12.OD2 other bump:1.9293 Ang F10.CE2 and D12.OD2 other bump:2.66839 Ang F10.CG and D12.OD2 other bump:2.45372 Ang F10.CD2 and D12.OD1 other bump:2.0848 Ang F10.CE2 and D12.OD1 other bump:2.08738 Ang F10.CD2 and D12.CG other bump:2.24944 Ang F10.CE2 and D12.CG other bump:2.14907 Ang E7.OE1 and D12.CB other bump:3.03698 Ang M5.SD and K9.NZ T0187 115 :VHVKGNGIGGRNQELALSAAIALEG 1srvA 274 :AAVKAPGFGDRRKEMLKDIAAVTGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues Number of specific fragments= 4 total=387 Number of alignments=70 # Reading fragments from alignment file # T0187 read from T0187-1srvA-local-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-local-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 228 :SNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.98544 Ang Q4.CD and E31.CD other bump:2.16948 Ang Q4.CD and E31.CG other bump:1.66292 Ang Q4.NE2 and E31.CG other bump:2.56984 Ang Q4.CG and E31.CG neighbor-bump: 2.53942 Ang C30.SG and E31.N self-bump: 1.29012 Ang C30.CA and C30.CB other bump:2.79963 Ang N2.CB and D29.OD1 other bump:2.00956 Ang N2.CG and D29.OD1 other bump:0.999736 Ang N2.OD1 and D29.OD1 other bump:2.99363 Ang N2.CG and D29.CG other bump:1.87538 Ang N2.OD1 and D29.CG other bump:2.69871 Ang T25.OG1 and L28.CD2 Number of specific fragments= 1 total=388 Number of alignments=71 # Reading fragments from alignment file # T0187 read from T0187-1srvA-local-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-local-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 16 :VLEKYGIETSESVKRAIL 1srvA 199 :YISPYFVTNPETMEAVLE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91827 Ang E9.CD and A17.C other bump:2.18222 Ang E9.OE2 and A17.C other bump:2.23811 Ang E9.CD and A17.O other bump:1.95222 Ang E9.OE2 and A17.O other bump:1.99319 Ang E9.OE1 and A17.O other bump:2.09028 Ang E9.OE2 and A17.CB other bump:2.98089 Ang E9.CD and A17.CA other bump:1.96194 Ang E9.OE2 and A17.CA other bump:3.07667 Ang E9.CG and A17.N other bump:2.47622 Ang E9.CD and A17.N other bump:1.91499 Ang E9.OE2 and A17.N other bump:2.75648 Ang V2.CG1 and R16.NH1 other bump:2.96529 Ang V2.CG1 and R16.CZ other bump:2.32536 Ang T10.OG1 and K15.O T0187 47 :LI 1srvA 222 :IV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEALA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 85 :RFIASIMK 1srvA 261 :TLVVNKLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 110 :GGETVVHVKGNGIGGRNQELA 1srvA 269 :GTLSVAAVKAPGFGDRRKEML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues Number of specific fragments= 5 total=393 Number of alignments=72 # Reading fragments from alignment file # T0187 read from T0187-1srvA-simpleSW-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 110 :GGETVVHVKGNGIGGRNQELALSAAIALEG 1srvA 269 :GTLSVAAVKAPGFGDRRKEMLKDIAAVTGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues Number of specific fragments= 1 total=394 Number of alignments=73 # Reading fragments from alignment file # T0187 read from T0187-1srvA-simpleSW-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 108 :IFGGETVVHVKGNGIGGRNQELALSAA 1srvA 267 :LRGTLSVAAVKAPGFGDRRKEMLKDIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues Number of specific fragments= 1 total=395 Number of alignments=74 # Reading fragments from alignment file # T0187 read from T0187-1srvA-vit-adpstyle1.pw.a2m.gz # 1srvA read from T0187-1srvA-vit-adpstyle1.pw.a2m.gz # found chain 1srvA in template set T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEA 1srvA 228 :SNVRELLPILEQVAQTGKPLLIIAEDVEGEA Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.98544 Ang Q4.CD and E31.CD other bump:2.16948 Ang Q4.CD and E31.CG other bump:1.66292 Ang Q4.NE2 and E31.CG other bump:2.56984 Ang Q4.CG and E31.CG neighbor-bump: 2.53942 Ang C30.SG and E31.N self-bump: 1.29012 Ang C30.CA and C30.CB other bump:2.79963 Ang N2.CB and D29.OD1 other bump:2.00956 Ang N2.CG and D29.OD1 other bump:0.999736 Ang N2.OD1 and D29.OD1 other bump:2.99363 Ang N2.CG and D29.CG other bump:1.87538 Ang N2.OD1 and D29.CG other bump:2.69871 Ang T25.OG1 and L28.CD2 Number of specific fragments= 1 total=396 Number of alignments=75 # Reading fragments from alignment file # T0187 read from T0187-1srvA-vit-adpstyle5.pw.a2m.gz # 1srvA read from T0187-1srvA-vit-adpstyle5.pw.a2m.gz # found chain 1srvA in template set T0187 16 :VLEKYGIETSESVKRAIL 1srvA 199 :YISPYFVTNPETMEAVLE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91827 Ang E9.CD and A17.C other bump:2.18222 Ang E9.OE2 and A17.C other bump:2.23811 Ang E9.CD and A17.O other bump:1.95222 Ang E9.OE2 and A17.O other bump:1.99319 Ang E9.OE1 and A17.O other bump:2.09028 Ang E9.OE2 and A17.CB other bump:2.98089 Ang E9.CD and A17.CA other bump:1.96194 Ang E9.OE2 and A17.CA other bump:3.07667 Ang E9.CG and A17.N other bump:2.47622 Ang E9.CD and A17.N other bump:1.91499 Ang E9.OE2 and A17.N other bump:2.75648 Ang V2.CG1 and R16.NH1 other bump:2.96529 Ang V2.CG1 and R16.CZ other bump:2.32536 Ang T10.OG1 and K15.O T0187 47 :LI 1srvA 222 :IV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1srvA 227 :VSNVRELLPILEQVAQTGKPLLIIAEDVEGEALA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.72514 Ang D30.CB and R34.NH2 other bump:2.95895 Ang D30.CA and R34.CZ other bump:2.98544 Ang Q5.CD and E32.CD other bump:2.56984 Ang Q5.CG and E32.CG other bump:2.16948 Ang Q5.CD and E32.CG other bump:1.66292 Ang Q5.NE2 and E32.CG neighbor-bump: 2.53942 Ang C31.SG and E32.N self-bump: 1.29012 Ang C31.CA and C31.CB other bump:2.75679 Ang N3.CB and D30.OD1 other bump:2.69871 Ang T26.OG1 and L29.CD2 neighbor-bump: 2.54314 Ang N3.OD1 and V4.CG2 T0187 85 :RFIASIMK 1srvA 261 :TLVVNKLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 110 :GGETVVHVKGNGIGGRNQELA 1srvA 269 :GTLSVAAVKAPGFGDRRKEML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues Number of specific fragments= 5 total=401 Number of alignments=76 # Prefix for input files set to 1jmxA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-local-adpstyle1.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 103 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=402 Number of alignments=77 # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-local-adpstyle5.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 77 :DCEAREAGRFIASIMKEVK 1jmxA 266 :EAEHDERGLDFTAVKEGKA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.72332 Ang M16.SD and E18.OE1 other bump:1.49718 Ang M16.CE and E18.OE1 other bump:2.72436 Ang M16.CE and E18.CD neighbor-bump: 2.54538 Ang K17.C and E18.CG neighbor-bump: 1.83167 Ang K17.O and E18.CG neighbor-bump: 2.56106 Ang K17.C and E18.CB neighbor-bump: 2.11723 Ang K17.O and E18.CB neighbor-bump: 1.70519 Ang C3.SG and E4.OE2 neighbor-bump: 2.57385 Ang C3.SG and E4.CD T0187 98 :DRPLKKPAALIFGGETVVHVKGNGIGGRNQ 1jmxA 285 :RLLAVQPAFIKAGGESEITLVGSGLAGKPD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.99954 Ang P4.CG and G23.CA other bump:2.31206 Ang P4.CD and G23.CA other bump:2.7749 Ang P4.CD and G23.N other bump:3.18697 Ang P4.CG and K22.C other bump:2.59836 Ang P4.CD and K22.C other bump:1.98626 Ang P4.CD and K22.O other bump:2.2301 Ang L5.CD2 and K22.NZ other bump:3.07575 Ang K7.CE and K22.NZ other bump:2.70392 Ang L5.CD2 and K22.CE neighbor-bump: 2.53067 Ang E16.O and T17.CG2 neighbor-bump: 2.91825 Ang E16.C and T17.CG2 neighbor-bump: 2.24463 Ang P4.O and L5.CD1 Number of specific fragments= 2 total=404 Number of alignments=78 # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-vit-adpstyle1.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 103 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=405 Number of alignments=79 # Reading fragments from alignment file # T0187 read from 1jmxA-T0187-vit-adpstyle5.pw.a2m.gz # 1jmxA read from 1jmxA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 77 :DCEAREAGRFIASIMKEVK 1jmxA 266 :EAEHDERGLDFTAVKEGKA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.72332 Ang M16.SD and E18.OE1 other bump:1.49718 Ang M16.CE and E18.OE1 other bump:2.72436 Ang M16.CE and E18.CD neighbor-bump: 2.54538 Ang K17.C and E18.CG neighbor-bump: 1.83167 Ang K17.O and E18.CG neighbor-bump: 2.56106 Ang K17.C and E18.CB neighbor-bump: 2.11723 Ang K17.O and E18.CB neighbor-bump: 1.70519 Ang C3.SG and E4.OE2 neighbor-bump: 2.57385 Ang C3.SG and E4.CD T0187 98 :DRPLKKPAALIFGGETVVHVKGNGIGGRNQ 1jmxA 285 :RLLAVQPAFIKAGGESEITLVGSGLAGKPD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:2.99954 Ang P4.CG and G23.CA other bump:2.31206 Ang P4.CD and G23.CA other bump:2.7749 Ang P4.CD and G23.N other bump:3.18697 Ang P4.CG and K22.C other bump:2.59836 Ang P4.CD and K22.C other bump:1.98626 Ang P4.CD and K22.O other bump:2.2301 Ang L5.CD2 and K22.NZ other bump:3.07575 Ang K7.CE and K22.NZ other bump:2.70392 Ang L5.CD2 and K22.CE neighbor-bump: 2.53067 Ang E16.O and T17.CG2 neighbor-bump: 2.91825 Ang E16.C and T17.CG2 neighbor-bump: 2.24463 Ang P4.O and L5.CD1 Number of specific fragments= 2 total=407 Number of alignments=80 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 10 :SEDALKVLEKYGIETSESVKRAILQETPK 1jmxA 3 :QGPSLLQNKCMGCHIPEGNDTYSRISHQR Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.20822 Ang L25.O and T28.OG1 other bump:2.83073 Ang L25.C and T28.OG1 other bump:2.19677 Ang R22.CG and E27.OE2 other bump:0.901692 Ang R22.CA and E27.OE2 other bump:1.63833 Ang R22.CB and E27.OE2 other bump:1.99922 Ang R22.C and E27.OE2 other bump:2.42718 Ang A23.N and E27.OE2 other bump:2.20951 Ang R22.N and E27.OE2 other bump:1.68344 Ang R22.CG and E27.OE1 other bump:2.22465 Ang R22.CD and E27.OE1 other bump:2.67092 Ang R22.CB and E27.OE1 other bump:2.05718 Ang R22.CG and E27.CD other bump:2.99921 Ang R22.CD and E27.CD other bump:2.1102 Ang R22.CA and E27.CD other bump:2.32629 Ang R22.CB and E27.CD other bump:3.1479 Ang R22.C and E27.CD other bump:2.87506 Ang E15.CD and Q26.CG other bump:2.53385 Ang E15.OE1 and Q26.CG neighbor-bump: 2.86187 Ang I24.CG2 and L25.CA neighbor-bump: 1.69674 Ang I24.CG2 and L25.N neighbor-bump: 2.4228 Ang I24.CB and L25.N self-bump: 2.32973 Ang I24.CG2 and I24.C other bump:2.78674 Ang E18.CD and I24.CD1 other bump:1.59135 Ang E18.OE1 and I24.CD1 other bump:2.20501 Ang E18.CD and I24.CG1 other bump:1.50735 Ang E18.OE1 and I24.CG1 other bump:2.55513 Ang E18.OE2 and I24.CG1 other bump:2.82772 Ang E18.OE1 and I24.CB self-bump: 1.33267 Ang I24.CA and I24.CB other bump:2.41206 Ang D4.CA and K21.NZ other bump:1.50512 Ang D4.CB and K21.NZ other bump:2.01196 Ang D4.CG and K21.CE other bump:1.97023 Ang D4.OD2 and K21.CE other bump:1.54341 Ang D4.CB and K21.CE other bump:2.78805 Ang D4.CB and K21.CD other bump:3.09658 Ang D4.CB and K21.CG neighbor-bump: 2.21507 Ang E18.O and S19.OG other bump:2.63556 Ang V8.O and Y12.CB T0187 49 :GNVQKVCDEAKSLAKEKGFN 1jmxA 32 :KTPEGWLMSIARMQVMHGLQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.49513 Ang L14.CD2 and K18.NZ other bump:2.81328 Ang L14.CD2 and K18.CE other bump:3.00832 Ang G2.CA and K6.CD T0187 72 :ITT 1jmxA 52 :ISD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 85 :RFIASIMKEVKFKDRPL 1jmxA 55 :DDRRTLVKYLADKQGLA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.21924 Ang F13.CG and R16.NH2 other bump:2.03949 Ang F13.CD2 and R16.NH2 other bump:2.48426 Ang F13.CE2 and R16.NH2 other bump:2.98712 Ang F13.CZ and R16.NH2 other bump:2.04747 Ang K12.C and R16.NH1 other bump:2.61519 Ang F13.N and R16.NH1 other bump:2.37797 Ang K12.CA and R16.NH1 other bump:1.92083 Ang K12.CB and R16.NH1 other bump:2.54448 Ang K12.O and R16.CZ other bump:2.5739 Ang K12.C and R16.CZ other bump:2.76363 Ang F13.N and R16.CZ other bump:3.01557 Ang F13.CA and R16.CZ other bump:2.41026 Ang K12.O and R16.CD other bump:1.47268 Ang K12.O and R16.CG other bump:2.63511 Ang K12.C and R16.CG other bump:2.64374 Ang K12.O and R16.CB other bump:2.84757 Ang K9.CE and F13.CZ other bump:1.6772 Ang K9.NZ and F13.CZ other bump:2.94398 Ang K9.NZ and F13.CE2 other bump:2.22666 Ang K9.CE and F13.CE1 other bump:1.03217 Ang K9.NZ and F13.CE1 other bump:2.27862 Ang K9.NZ and F13.CD1 other bump:2.63214 Ang M8.CE and K12.NZ other bump:3.08263 Ang M8.CE and K12.CE T0187 102 :KKPA 1jmxA 490 :NPPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 5 total=412 Number of alignments=81 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 10 :SEDALKVLEKYGIETSESVKRAIL 1jmxA 3 :QGPSLLQNKCMGCHIPEGNDTYSR Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.86187 Ang I24.CG2 and L25.CA neighbor-bump: 1.69674 Ang I24.CG2 and L25.N neighbor-bump: 2.4228 Ang I24.CB and L25.N self-bump: 2.32973 Ang I24.CG2 and I24.C other bump:2.78674 Ang E18.CD and I24.CD1 other bump:1.59135 Ang E18.OE1 and I24.CD1 other bump:2.20501 Ang E18.CD and I24.CG1 other bump:1.50735 Ang E18.OE1 and I24.CG1 other bump:2.55513 Ang E18.OE2 and I24.CG1 other bump:2.82772 Ang E18.OE1 and I24.CB self-bump: 1.33267 Ang I24.CA and I24.CB other bump:2.41206 Ang D4.CA and K21.NZ other bump:1.50512 Ang D4.CB and K21.NZ other bump:2.01196 Ang D4.CG and K21.CE other bump:1.97023 Ang D4.OD2 and K21.CE other bump:1.54341 Ang D4.CB and K21.CE other bump:2.78805 Ang D4.CB and K21.CD other bump:3.09658 Ang D4.CB and K21.CG neighbor-bump: 2.21507 Ang E18.O and S19.OG other bump:2.63556 Ang V8.O and Y12.CB T0187 40 :LSNVE 1jmxA 27 :ISHQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 49 :GNVQKVCDEAKSLAKEKGFNA 1jmxA 32 :KTPEGWLMSIARMQVMHGLQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.29744 Ang F20.CE1 and A22.CB other bump:3.09135 Ang F20.CD1 and A22.CB other bump:1.49513 Ang L14.CD2 and K18.NZ other bump:2.81328 Ang L14.CD2 and K18.CE other bump:3.00832 Ang G2.CA and K6.CD T0187 77 :DCE 1jmxA 53 :SDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 86 :FIASIMKEVKFKDRPL 1jmxA 56 :DRRTLVKYLADKQGLA Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.21924 Ang F12.CG and R15.NH2 other bump:2.03949 Ang F12.CD2 and R15.NH2 other bump:2.48426 Ang F12.CE2 and R15.NH2 other bump:2.98712 Ang F12.CZ and R15.NH2 other bump:2.37797 Ang K11.CA and R15.NH1 other bump:2.04747 Ang K11.C and R15.NH1 other bump:2.61519 Ang F12.N and R15.NH1 other bump:1.92083 Ang K11.CB and R15.NH1 other bump:2.54448 Ang K11.O and R15.CZ other bump:2.5739 Ang K11.C and R15.CZ other bump:2.76363 Ang F12.N and R15.CZ other bump:3.01557 Ang F12.CA and R15.CZ other bump:2.41026 Ang K11.O and R15.CD other bump:1.47268 Ang K11.O and R15.CG other bump:2.63511 Ang K11.C and R15.CG other bump:2.64374 Ang K11.O and R15.CB other bump:1.6772 Ang K8.NZ and F12.CZ other bump:2.84757 Ang K8.CE and F12.CZ other bump:2.94398 Ang K8.NZ and F12.CE2 other bump:1.03217 Ang K8.NZ and F12.CE1 other bump:2.22666 Ang K8.CE and F12.CE1 other bump:2.27862 Ang K8.NZ and F12.CD1 other bump:2.63214 Ang M7.CE and K11.NZ other bump:3.08263 Ang M7.CE and K11.CE T0187 111 :GETVVHVKGN 1jmxA 479 :GHMIVTVQRW Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.96194 Ang V5.CG2 and H7.NE2 other bump:3.07517 Ang V5.CB and H7.CE1 other bump:2.41912 Ang V5.CG2 and H7.CE1 other bump:3.20158 Ang V5.CG2 and H7.ND1 other bump:2.6815 Ang V5.CG2 and H7.CD2 Number of specific fragments= 6 total=418 Number of alignments=82 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=419 Number of alignments=83 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=420 Number of alignments=84 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 10 :SEDALKVLEKYGIETSESVKRAILQETPK 1jmxA 3 :QGPSLLQNKCMGCHIPEGNDTYSRISHQR Fragment has 38 clashes (null) has 38 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.20822 Ang L25.O and T28.OG1 other bump:2.83073 Ang L25.C and T28.OG1 other bump:2.19677 Ang R22.CG and E27.OE2 other bump:0.901692 Ang R22.CA and E27.OE2 other bump:1.63833 Ang R22.CB and E27.OE2 other bump:1.99922 Ang R22.C and E27.OE2 other bump:2.42718 Ang A23.N and E27.OE2 other bump:2.20951 Ang R22.N and E27.OE2 other bump:1.68344 Ang R22.CG and E27.OE1 other bump:2.22465 Ang R22.CD and E27.OE1 other bump:2.67092 Ang R22.CB and E27.OE1 other bump:2.05718 Ang R22.CG and E27.CD other bump:2.99921 Ang R22.CD and E27.CD other bump:2.1102 Ang R22.CA and E27.CD other bump:2.32629 Ang R22.CB and E27.CD other bump:3.1479 Ang R22.C and E27.CD other bump:2.87506 Ang E15.CD and Q26.CG other bump:2.53385 Ang E15.OE1 and Q26.CG neighbor-bump: 2.86187 Ang I24.CG2 and L25.CA neighbor-bump: 1.69674 Ang I24.CG2 and L25.N neighbor-bump: 2.4228 Ang I24.CB and L25.N self-bump: 2.32973 Ang I24.CG2 and I24.C other bump:2.78674 Ang E18.CD and I24.CD1 other bump:1.59135 Ang E18.OE1 and I24.CD1 other bump:2.20501 Ang E18.CD and I24.CG1 other bump:1.50735 Ang E18.OE1 and I24.CG1 other bump:2.55513 Ang E18.OE2 and I24.CG1 other bump:2.82772 Ang E18.OE1 and I24.CB self-bump: 1.33267 Ang I24.CA and I24.CB other bump:2.41206 Ang D4.CA and K21.NZ other bump:1.50512 Ang D4.CB and K21.NZ other bump:2.01196 Ang D4.CG and K21.CE other bump:1.97023 Ang D4.OD2 and K21.CE other bump:1.54341 Ang D4.CB and K21.CE other bump:2.78805 Ang D4.CB and K21.CD other bump:3.09658 Ang D4.CB and K21.CG neighbor-bump: 2.21507 Ang E18.O and S19.OG other bump:2.63556 Ang V8.O and Y12.CB T0187 49 :GNVQKVCDEAKSLAKEKGFN 1jmxA 32 :KTPEGWLMSIARMQVMHGLQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.49513 Ang L14.CD2 and K18.NZ other bump:2.81328 Ang L14.CD2 and K18.CE other bump:3.00832 Ang G2.CA and K6.CD T0187 83 :AGRFIASIMKEVKFKDRPL 1jmxA 52 :ISDDDRRTLVKYLADKQGL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.66837 Ang F15.O and P19.CB other bump:2.7154 Ang E12.CD and K16.NZ other bump:2.17072 Ang E12.OE2 and K16.NZ other bump:2.90628 Ang K11.CB and F15.CE1 other bump:2.30227 Ang K11.O and F15.CD1 T0187 102 :KKPA 1jmxA 490 :NPPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 4 total=424 Number of alignments=85 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 10 :SEDALKVLEKYGIETSESVKRA 1jmxA 3 :QGPSLLQNKCMGCHIPEGNDTY Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.41206 Ang D4.CA and K21.NZ other bump:1.50512 Ang D4.CB and K21.NZ other bump:2.01196 Ang D4.CG and K21.CE other bump:1.97023 Ang D4.OD2 and K21.CE other bump:1.54341 Ang D4.CB and K21.CE other bump:2.78805 Ang D4.CB and K21.CD other bump:3.09658 Ang D4.CB and K21.CG neighbor-bump: 2.21507 Ang E18.O and S19.OG other bump:2.63556 Ang V8.O and Y12.CB T0187 40 :LSNVEIH 1jmxA 25 :SRISHQR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.30315 Ang L2.CD2 and E6.OE2 neighbor-bump: 2.42018 Ang L2.CB and S3.N self-bump: 2.18373 Ang L2.CB and L2.C self-bump: 1.26725 Ang L2.CA and L2.CB T0187 49 :GNVQKVCDEAKSLAKEKGFNA 1jmxA 32 :KTPEGWLMSIARMQVMHGLQI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.29744 Ang F20.CE1 and A22.CB other bump:3.09135 Ang F20.CD1 and A22.CB other bump:1.49513 Ang L14.CD2 and K18.NZ other bump:2.81328 Ang L14.CD2 and K18.CE other bump:3.00832 Ang G2.CA and K6.CD T0187 77 :DCE 1jmxA 53 :SDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 86 :FIASIMKEVKFKD 1jmxA 56 :DRRTLVKYLADKQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.84757 Ang K8.CE and F12.CZ other bump:1.6772 Ang K8.NZ and F12.CZ other bump:2.94398 Ang K8.NZ and F12.CE2 other bump:2.22666 Ang K8.CE and F12.CE1 other bump:1.03217 Ang K8.NZ and F12.CE1 other bump:2.27862 Ang K8.NZ and F12.CD1 other bump:2.63214 Ang M7.CE and K11.NZ other bump:3.08263 Ang M7.CE and K11.CE T0187 100 :PL 1jmxA 69 :GL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 106 :ALIFGGET 1jmxA 469 :TLADGGQT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.37952 Ang F5.CA and F5.CB T0187 114 :VVHVK 1jmxA 482 :IVTVQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:1.96194 Ang V2.CG2 and H4.NE2 other bump:3.07517 Ang V2.CB and H4.CE1 other bump:2.41912 Ang V2.CG2 and H4.CE1 other bump:3.20158 Ang V2.CG2 and H4.ND1 other bump:2.6815 Ang V2.CG2 and H4.CD2 T0187 139 :GIEGVI 1jmxA 487 :RWNNPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 9 total=433 Number of alignments=86 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=434 Number of alignments=87 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 103 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=435 Number of alignments=88 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 10 :SEDALKVLEKYGIETSESVKRAIL 1jmxA 3 :QGPSLLQNKCMGCHIPEGNDTYSR Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.86187 Ang I24.CG2 and L25.CA neighbor-bump: 1.69674 Ang I24.CG2 and L25.N neighbor-bump: 2.4228 Ang I24.CB and L25.N self-bump: 2.32973 Ang I24.CG2 and I24.C other bump:2.78674 Ang E18.CD and I24.CD1 other bump:1.59135 Ang E18.OE1 and I24.CD1 other bump:2.20501 Ang E18.CD and I24.CG1 other bump:1.50735 Ang E18.OE1 and I24.CG1 other bump:2.55513 Ang E18.OE2 and I24.CG1 other bump:2.82772 Ang E18.OE1 and I24.CB self-bump: 1.33267 Ang I24.CA and I24.CB other bump:2.41206 Ang D4.CA and K21.NZ other bump:1.50512 Ang D4.CB and K21.NZ other bump:2.01196 Ang D4.CG and K21.CE other bump:1.97023 Ang D4.OD2 and K21.CE other bump:1.54341 Ang D4.CB and K21.CE other bump:2.78805 Ang D4.CB and K21.CD other bump:3.09658 Ang D4.CB and K21.CG neighbor-bump: 2.21507 Ang E18.O and S19.OG other bump:2.63556 Ang V8.O and Y12.CB T0187 50 :NVQKVCDEAKSLAKEKGFN 1jmxA 33 :TPEGWLMSIARMQVMHGLQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.49513 Ang L13.CD2 and K17.NZ other bump:2.81328 Ang L13.CD2 and K17.CE T0187 83 :AGRFIASIMKEVKFKDRPL 1jmxA 52 :ISDDDRRTLVKYLADKQGL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.66837 Ang F15.O and P19.CB other bump:2.7154 Ang E12.CD and K16.NZ other bump:2.17072 Ang E12.OE2 and K16.NZ other bump:2.90628 Ang K11.CB and F15.CE1 other bump:2.30227 Ang K11.O and F15.CD1 T0187 102 :KKPA 1jmxA 490 :NPPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 4 total=439 Number of alignments=89 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 10 :SEDALKVLEKYGIETSESVKRAIL 1jmxA 3 :QGPSLLQNKCMGCHIPEGNDTYSR Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.86187 Ang I24.CG2 and L25.CA neighbor-bump: 1.69674 Ang I24.CG2 and L25.N neighbor-bump: 2.4228 Ang I24.CB and L25.N self-bump: 2.32973 Ang I24.CG2 and I24.C other bump:2.78674 Ang E18.CD and I24.CD1 other bump:1.59135 Ang E18.OE1 and I24.CD1 other bump:2.20501 Ang E18.CD and I24.CG1 other bump:1.50735 Ang E18.OE1 and I24.CG1 other bump:2.55513 Ang E18.OE2 and I24.CG1 other bump:2.82772 Ang E18.OE1 and I24.CB self-bump: 1.33267 Ang I24.CA and I24.CB other bump:2.41206 Ang D4.CA and K21.NZ other bump:1.50512 Ang D4.CB and K21.NZ other bump:2.01196 Ang D4.CG and K21.CE other bump:1.97023 Ang D4.OD2 and K21.CE other bump:1.54341 Ang D4.CB and K21.CE other bump:2.78805 Ang D4.CB and K21.CD other bump:3.09658 Ang D4.CB and K21.CG neighbor-bump: 2.21507 Ang E18.O and S19.OG other bump:2.63556 Ang V8.O and Y12.CB T0187 40 :LSNV 1jmxA 28 :SHQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 49 :GNVQKVCDEAKSLAKEKGFN 1jmxA 32 :KTPEGWLMSIARMQVMHGLQ Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.49513 Ang L14.CD2 and K18.NZ other bump:2.81328 Ang L14.CD2 and K18.CE other bump:3.00832 Ang G2.CA and K6.CD T0187 76 :LDCE 1jmxA 52 :ISDD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 86 :FIASIMKEVKFKDRP 1jmxA 56 :DRRTLVKYLADKQGL Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.03949 Ang F12.CD2 and R15.NH2 other bump:2.48426 Ang F12.CE2 and R15.NH2 other bump:2.98712 Ang F12.CZ and R15.NH2 other bump:2.21924 Ang F12.CG and R15.NH2 other bump:2.04747 Ang K11.C and R15.NH1 other bump:2.37797 Ang K11.CA and R15.NH1 other bump:1.92083 Ang K11.CB and R15.NH1 other bump:2.61519 Ang F12.N and R15.NH1 other bump:2.54448 Ang K11.O and R15.CZ other bump:2.5739 Ang K11.C and R15.CZ other bump:2.76363 Ang F12.N and R15.CZ other bump:3.01557 Ang F12.CA and R15.CZ other bump:2.41026 Ang K11.O and R15.CD other bump:1.47268 Ang K11.O and R15.CG other bump:2.63511 Ang K11.C and R15.CG other bump:2.64374 Ang K11.O and R15.CB other bump:2.84757 Ang K8.CE and F12.CZ other bump:1.6772 Ang K8.NZ and F12.CZ other bump:2.94398 Ang K8.NZ and F12.CE2 other bump:2.22666 Ang K8.CE and F12.CE1 other bump:1.03217 Ang K8.NZ and F12.CE1 other bump:2.27862 Ang K8.NZ and F12.CD1 other bump:2.63214 Ang M7.CE and K11.NZ other bump:3.08263 Ang M7.CE and K11.CE T0187 111 :GET 1jmxA 477 :GEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 114 :VVHVKGN 1jmxA 482 :IVTVQRW Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.96194 Ang V2.CG2 and H4.NE2 other bump:3.07517 Ang V2.CB and H4.CE1 other bump:2.41912 Ang V2.CG2 and H4.CE1 other bump:3.20158 Ang V2.CG2 and H4.ND1 other bump:2.6815 Ang V2.CG2 and H4.CD2 T0187 141 :E 1jmxA 489 :N Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 8 total=447 Number of alignments=90 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :AW 1jmxA 16 :HI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jmxA 33 :TPEGWLMSIARMQVMHGLQISDDDRRTLV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.59723 Ang D3.O and L30.CD2 other bump:2.59291 Ang T6.CB and L30.CD2 other bump:2.91827 Ang T6.CG2 and L30.CD2 other bump:2.79506 Ang A10.CB and K26.NZ other bump:2.72017 Ang L14.CD2 and I19.C other bump:1.91257 Ang L14.CD2 and I19.O other bump:3.04468 Ang V13.CB and I19.CD1 other bump:2.58607 Ang V13.CG1 and I19.CD1 other bump:1.9799 Ang V13.CG1 and I19.CG2 other bump:2.76732 Ang V13.CG1 and I19.CG1 other bump:2.64152 Ang L14.CD2 and I19.CG1 other bump:2.8687 Ang V13.CG1 and I19.CB other bump:2.07928 Ang P2.CG and S5.OG other bump:2.5462 Ang P2.CD and S5.OG other bump:2.76283 Ang P2.CG and S5.CB other bump:2.90167 Ang P2.CD and S5.CB T0187 34 :QETPKHLSNV 1jmxA 69 :GLAPSETDGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.04342 Ang E3.OE1 and L8.CD2 other bump:2.1315 Ang T4.OG1 and H7.CD2 T0187 50 :NVQKVCDEAKSLAKEK 1jmxA 114 :RPAKEWEHLVNFHLGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 73 :TTSLD 1jmxA 130 :WPSLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 78 :CEAREAGR 1jmxA 142 :RDWLPIAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 86 :FIASIMKE 1jmxA 152 :VVPDLAKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.8422 Ang F2.CE1 and I6.CD1 other bump:2.29825 Ang F2.CZ and I6.CD1 other bump:2.12084 Ang F2.CE2 and I6.CD1 other bump:2.52315 Ang F2.CD2 and I6.CD1 T0187 99 :RPL 1jmxA 160 :YPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 102 :KKP 1jmxA 385 :SVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :AALIF 1jmxA 395 :AEAWG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.75694 Ang F6.CD1 and G7.N T0187 110 :GGET 1jmxA 403 :NGQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 114 :VVHVKGNG 1jmxA 415 :SWKVEPFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 128 :ELALS 1jmxA 423 :ERAVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 133 :AAIA 1jmxA 430 :DVKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 137 :LEGIE 1jmxA 471 :ADGGQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.52739 Ang G4.C and I5.CB self-bump: 1.38678 Ang E3.CA and E3.CB T0187 143 :VILCSAGT 1jmxA 480 :HMIVTVQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 16 total=463 Number of alignments=91 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 3 :AW 1jmxA 16 :HI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 9 :TSEDALKVLEKYGIETSESVKRAIL 1jmxA 37 :WLMSIARMQVMHGLQISDDDRRTLV Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.59292 Ang T2.CB and L26.CD2 other bump:2.91828 Ang T2.CG2 and L26.CD2 other bump:2.79506 Ang A6.CB and K22.NZ other bump:2.72017 Ang L10.CD2 and I15.C other bump:1.91257 Ang L10.CD2 and I15.O other bump:3.04468 Ang V9.CB and I15.CD1 other bump:2.58607 Ang V9.CG1 and I15.CD1 other bump:1.9799 Ang V9.CG1 and I15.CG2 other bump:2.76732 Ang V9.CG1 and I15.CG1 other bump:2.64152 Ang L10.CD2 and I15.CG1 other bump:2.8687 Ang V9.CG1 and I15.CB T0187 34 :QETPKHLSNV 1jmxA 69 :GLAPSETDGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.04342 Ang E3.OE1 and L8.CD2 other bump:2.1315 Ang T4.OG1 and H7.CD2 T0187 50 :NVQKVCDEAKSLAKEK 1jmxA 114 :RPAKEWEHLVNFHLGQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 73 :TTSLD 1jmxA 130 :WPSLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 78 :CEAREAGR 1jmxA 142 :RDWLPIAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 86 :FIASIMKE 1jmxA 152 :VVPDLAKR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.8422 Ang F2.CE1 and I6.CD1 other bump:2.29825 Ang F2.CZ and I6.CD1 other bump:2.12084 Ang F2.CE2 and I6.CD1 other bump:2.52315 Ang F2.CD2 and I6.CD1 T0187 99 :RPL 1jmxA 160 :YPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 102 :KKP 1jmxA 385 :SVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 105 :AALIF 1jmxA 395 :AEAWG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.75694 Ang F6.CD1 and G7.N T0187 110 :GGET 1jmxA 403 :NGQP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 114 :VVHVKGNG 1jmxA 415 :SWKVEPFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 128 :ELALS 1jmxA 423 :ERAVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 133 :AAIA 1jmxA 430 :DVKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 138 :EGIE 1jmxA 452 :PERK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.431 Ang G1.O and I4.CG2 T0187 142 :G 1jmxA 473 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 144 :ILCSAGT 1jmxA 481 :MIVTVQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 17 total=480 Number of alignments=92 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=481 Number of alignments=93 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=482 Number of alignments=94 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=483 Number of alignments=95 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 104 :PAALIFGGETVVHVKGNGIGGR 1jmxA 291 :PAFIKAGGESEITLVGSGLAGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues neighbor-bump: 2.53067 Ang E10.O and T11.CG2 neighbor-bump: 2.91825 Ang E10.C and T11.CG2 Number of specific fragments= 1 total=484 Number of alignments=96 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-local-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-local-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 103 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=485 Number of alignments=97 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-local-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-local-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 75 :SLDCEAREAGRFIASIMK 1jmxA 264 :MFEAEHDERGLDFTAVKE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 1.7052 Ang C5.SG and E6.OE2 neighbor-bump: 2.57386 Ang C5.SG and E6.CD T0187 102 :KKPAALIFGGETVVHVKGNGIGGRN 1jmxA 289 :VQPAFIKAGGESEITLVGSGLAGKP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.07575 Ang K3.CE and K18.NZ neighbor-bump: 2.53067 Ang E12.O and T13.CG2 neighbor-bump: 2.91825 Ang E12.C and T13.CG2 Number of specific fragments= 2 total=487 Number of alignments=98 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 103 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=488 Number of alignments=99 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-simpleSW-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 30 :RAILQETPKHLSNVEIHL 1jmxA 229 :SAILYNGYEWRGNVKVGD Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues self-bump: 1.30046 Ang H18.CA and H18.CB self-bump: 1.33318 Ang I17.CA and I17.CB other bump:2.61815 Ang A3.CB and H11.CE1 neighbor-bump: 1.95186 Ang T8.C and P9.CD other bump:1.9976 Ang E7.O and P9.CD other bump:2.61723 Ang E7.C and P9.CD neighbor-bump: 2.42664 Ang T8.OG1 and P9.CD neighbor-bump: 1.65991 Ang E7.O and T8.OG1 neighbor-bump: 2.35146 Ang E7.C and T8.OG1 T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIA 1jmxA 247 :ANLRQVFAALDGEMKGRMFEAEHDERGLDFTAVKEGKARL Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.99657 Ang R34.CB and I40.CD1 other bump:1.96038 Ang R34.CG and I40.CD1 other bump:3.03321 Ang R34.CD and I40.CD1 other bump:3.01469 Ang R34.NE and I40.CD1 other bump:2.86225 Ang R34.NH2 and I40.CG2 other bump:2.11205 Ang K12.O and R38.NH2 other bump:2.87357 Ang L14.CD1 and R34.NE other bump:2.05744 Ang L14.CD1 and R34.CD other bump:2.76651 Ang L14.CD1 and A33.O other bump:3.08847 Ang F20.CB and S28.CB other bump:2.81715 Ang F20.CD1 and I25.CD1 other bump:2.57563 Ang F20.CE1 and I25.CD1 neighbor-bump: 2.47446 Ang E17.CB and K18.N other bump:2.67376 Ang C8.CA and E17.OE2 other bump:2.13371 Ang C8.CB and E17.OE2 other bump:0.957676 Ang C8.SG and E17.OE2 other bump:2.10139 Ang C8.CA and E17.OE1 other bump:0.55455 Ang C8.CB and E17.OE1 other bump:1.71588 Ang C8.SG and E17.OE1 other bump:1.76652 Ang C8.CA and E17.CD other bump:1.02235 Ang C8.CB and E17.CD other bump:1.06146 Ang C8.SG and E17.CD other bump:3.10977 Ang V7.C and E17.CD other bump:2.31225 Ang C8.N and E17.CD other bump:3.06864 Ang C8.C and E17.CD neighbor-bump: 2.47716 Ang K16.O and E17.CG neighbor-bump: 2.83523 Ang K16.C and E17.CG other bump:1.62955 Ang C8.CA and E17.CG other bump:1.94917 Ang C8.CB and E17.CG other bump:2.31032 Ang C8.SG and E17.CG other bump:3.00925 Ang V7.C and E17.CG other bump:2.58124 Ang C8.N and E17.CG other bump:2.8908 Ang C8.C and E17.CG other bump:2.96798 Ang C8.CA and E17.CB other bump:2.63819 Ang V7.O and E17.CB other bump:2.86726 Ang L14.CG and K16.CE T0187 100 :PLKKPAALIFGGETVVHVKGNGIGGRNQ 1jmxA 287 :LAVQPAFIKAGGESEITLVGSGLAGKPD Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:3.01462 Ang P2.CG and G21.CA other bump:2.26476 Ang P2.CD and G21.CA other bump:2.98761 Ang P2.CG and G21.N other bump:2.81858 Ang P2.CD and G21.N other bump:2.69402 Ang P2.CG and K20.C other bump:2.72645 Ang P2.CD and K20.C other bump:2.43628 Ang P2.CG and K20.O other bump:2.16027 Ang P2.CD and K20.O other bump:2.2301 Ang L3.CD2 and K20.NZ other bump:3.07575 Ang K5.CE and K20.NZ other bump:2.70392 Ang L3.CD2 and K20.CE other bump:2.7574 Ang P2.CG and K20.CG neighbor-bump: 2.53067 Ang E14.O and T15.CG2 neighbor-bump: 2.91825 Ang E14.C and T15.CG2 neighbor-bump: 2.24463 Ang P2.O and L3.CD1 Number of specific fragments= 3 total=491 Number of alignments=100 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-vit-adpstyle1.pw.a2m.gz # 1jmxA read from T0187-1jmxA-vit-adpstyle1.pw.a2m.gz # found chain 1jmxA in template set T0187 103 :KPAALIFGGETVVHVKGNGIGGR 1jmxA 290 :QPAFIKAGGESEITLVGSGLAGK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.86321 Ang K2.CE and K17.NZ other bump:2.30425 Ang K2.NZ and K17.NZ other bump:2.61972 Ang K2.CE and K17.CE other bump:2.67021 Ang K2.NZ and K17.CE neighbor-bump: 2.53067 Ang E11.O and T12.CG2 neighbor-bump: 2.91825 Ang E11.C and T12.CG2 Number of specific fragments= 1 total=492 Number of alignments=101 # Reading fragments from alignment file # T0187 read from T0187-1jmxA-vit-adpstyle5.pw.a2m.gz # 1jmxA read from T0187-1jmxA-vit-adpstyle5.pw.a2m.gz # found chain 1jmxA in template set T0187 75 :SLDCEAREAGRFIASIMK 1jmxA 264 :MFEAEHDERGLDFTAVKE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 1.7052 Ang C5.SG and E6.OE2 neighbor-bump: 2.57386 Ang C5.SG and E6.CD T0187 102 :KKPAALIFGGETVVHVKGNGIGGRN 1jmxA 289 :VQPAFIKAGGESEITLVGSGLAGKP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.07575 Ang K3.CE and K18.NZ neighbor-bump: 2.53067 Ang E12.O and T13.CG2 neighbor-bump: 2.91825 Ang E12.C and T13.CG2 Number of specific fragments= 2 total=494 Number of alignments=102 # Prefix for input files set to 1gajA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1gajA-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1gajA read from 1gajA-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 2 :PAWPDSSTSED 1gajA 21 :KALDGVSISVN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.13634 Ang W4.C and P5.CD self-bump: 2.23648 Ang P5.CA and P5.CD self-bump: 2.12715 Ang P5.CA and P5.CG T0187 13 :ALKVLEKYGIETSESVK 1gajA 75 :EPAELYHYGIVRTFQTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 30 :RAILQETPKHLSNVEIHLI 1gajA 144 :SHLYDRKAGELSGGQMKLV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.63717 Ang N14.O and H18.CD2 self-bump: 1.39733 Ang N14.CA and N14.CB other bump:2.78907 Ang E7.OE1 and H11.CB self-bump: 1.39376 Ang P9.N and P9.CD T0187 49 :GNVQKVCDEAKSLAKE 1gajA 187 :GLAHDIFNHVLELKAK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:1.38177 Ang G1.O and Q5.OE1 other bump:2.26853 Ang G1.C and Q5.OE1 other bump:2.3514 Ang G1.O and Q5.CD T0187 66 :GFNAEIITTSLDCEAREAGRFIASIMKEVK 1gajA 203 :GITFLIIEHRLDIVLNYIDHLYVMFNGQII Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:1.98477 Ang E29.OE2 and K31.NZ other bump:2.35586 Ang T9.CG2 and E15.OE2 other bump:2.75547 Ang T9.CG2 and E15.CD T0187 96 :FKDR 1gajA 234 :EGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.08164 Ang D4.O and R5.CG T0187 100 :PLKKPAALIFGG 1gajA 245 :LSDPKVVEIYIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues Number of specific fragments= 7 total=501 Number of alignments=103 # Reading fragments from alignment file # T0187 read from 1gajA-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1gajA read from 1gajA-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 8 :STSEDALKVLEKYGIETSESVKRAILQETPKHLSNVEIHLIG 1gajA 47 :STLINVITGFLKADEGRVYFENKDITNKEPAELYHYGIVRTF Fragment has 84 clashes (null) has 84 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.00685 Ang K9.CE and L41.CD2 other bump:1.74191 Ang K9.NZ and L41.CD2 other bump:2.58049 Ang K9.CD and L41.CD1 other bump:1.9751 Ang K9.CE and L41.CD1 other bump:1.77506 Ang K9.NZ and L41.CD1 other bump:1.94105 Ang K9.CE and L41.CG other bump:2.09259 Ang K9.NZ and L41.CG other bump:2.18394 Ang K9.CE and L41.CB other bump:3.10561 Ang R24.CZ and V37.CG2 other bump:1.95106 Ang R24.NH2 and V37.CG2 other bump:3.11566 Ang R24.NH2 and V37.CG1 other bump:2.94238 Ang R24.NH2 and V37.CB other bump:2.72874 Ang V10.CB and L34.CD1 other bump:1.45786 Ang V10.CG2 and L34.CD1 other bump:2.37992 Ang V10.CG2 and L34.CG other bump:1.90979 Ang V10.CG1 and P31.CD other bump:3.075 Ang V10.CG1 and P31.CG other bump:2.77735 Ang V10.CG1 and P31.CA other bump:2.03114 Ang V10.CG1 and P31.N other bump:2.5221 Ang V10.CG1 and T30.C other bump:2.99178 Ang V10.CG1 and T30.CA other bump:2.56169 Ang V10.CG1 and E29.O other bump:2.16219 Ang Y14.O and Q28.NE2 neighbor-bump: 2.46742 Ang L27.CB and Q28.N other bump:3.06189 Ang S19.CB and L27.CD2 other bump:3.01232 Ang S19.CB and L27.CD1 other bump:2.37409 Ang S19.OG and L27.CD1 other bump:2.52954 Ang S19.CB and L27.CG other bump:2.48777 Ang S19.OG and L27.CG self-bump: 1.30669 Ang L27.CA and L27.CB other bump:3.01984 Ang E20.CG and R24.N other bump:2.97545 Ang E20.CD and K23.C other bump:2.93846 Ang E20.CG and K23.C other bump:2.58095 Ang E20.CD and K23.CA other bump:2.81844 Ang E20.CG and K23.CA other bump:2.89942 Ang E20.OE1 and K23.CA other bump:2.77022 Ang Y14.CD2 and E17.C other bump:2.26242 Ang Y14.CE2 and E17.C other bump:3.21024 Ang Y14.CZ and E17.C other bump:2.25504 Ang Y14.CD2 and E17.O other bump:2.25629 Ang Y14.CE2 and E17.O other bump:2.68457 Ang Y14.OH and E17.CD other bump:2.94815 Ang Y14.CZ and E17.CD other bump:1.44662 Ang Y14.OH and E17.CG other bump:1.86386 Ang Y14.OH and E17.CB neighbor-bump: 2.5548 Ang I16.C and E17.CB other bump:2.45941 Ang Y14.CE1 and E17.CB neighbor-bump: 2.09618 Ang I16.O and E17.CB other bump:2.94368 Ang Y14.CD2 and E17.CB other bump:1.9546 Ang Y14.CE2 and E17.CB other bump:1.5905 Ang Y14.CZ and E17.CB other bump:2.37828 Ang Y14.OH and E17.CA other bump:3.07903 Ang Y14.CD2 and E17.CA other bump:1.92418 Ang Y14.CE2 and E17.CA other bump:2.36767 Ang Y14.CZ and E17.CA other bump:2.15963 Ang Y14.OH and E17.N other bump:2.85328 Ang Y14.CD2 and E17.N other bump:1.59744 Ang Y14.CE2 and E17.N other bump:2.11682 Ang Y14.CZ and E17.N other bump:1.93235 Ang Y14.OH and I16.C other bump:2.50345 Ang Y14.CE1 and I16.C other bump:2.35188 Ang Y14.CD2 and I16.C other bump:1.26652 Ang Y14.CE2 and I16.C other bump:3.15307 Ang Y14.CG and I16.C other bump:1.39856 Ang Y14.CZ and I16.C other bump:1.88236 Ang Y14.OH and I16.O other bump:2.04071 Ang Y14.CD1 and I16.O other bump:1.31298 Ang Y14.CE1 and I16.O other bump:2.02159 Ang Y14.CD2 and I16.O other bump:1.24997 Ang Y14.CE2 and I16.O other bump:2.346 Ang Y14.CG and I16.O other bump:0.616448 Ang Y14.CZ and I16.O other bump:2.37754 Ang Y14.OH and I16.CG2 other bump:2.59909 Ang Y14.OH and I16.CB other bump:2.93818 Ang Y14.CZ and I16.CB other bump:2.64929 Ang Y14.CE2 and I16.CA other bump:2.71288 Ang Y14.CZ and I16.CA other bump:3.17316 Ang Y14.CZ and I16.N other bump:2.68894 Ang T3.CG2 and E12.OE2 other bump:2.72043 Ang D6.CB and E12.OE1 other bump:3.00922 Ang D6.CB and E12.CD neighbor-bump: 2.84377 Ang K9.C and V10.CG2 neighbor-bump: 1.95406 Ang K9.O and V10.CB neighbor-bump: 2.36073 Ang K9.C and V10.CB T0187 51 :VQ 1gajA 90 :TP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 69 :AEIITTSL 1gajA 138 :LEFLKLSH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 78 :CEAREAGRFIASIMKEVKFKDRPLKKPAALIFGGETV 1gajA 146 :LYDRKAGELSGGQMKLVEIGRALMTNPKMIVMDQPIA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.62563 Ang R23.CD and F33.CZ other bump:3.12268 Ang R23.CZ and F33.CZ other bump:2.283 Ang R23.NH1 and F33.CZ other bump:2.85286 Ang R23.NH1 and F33.CE2 other bump:2.8075 Ang R23.NE and F33.CE1 other bump:2.25207 Ang R23.CZ and F33.CE1 other bump:1.50982 Ang R23.NH1 and F33.CE1 other bump:2.79769 Ang R23.NH1 and F33.CD2 other bump:2.54473 Ang R23.CZ and F33.CD1 other bump:1.46387 Ang R23.NH1 and F33.CD1 other bump:2.98525 Ang P28.CG and L31.CD2 other bump:1.63995 Ang F20.O and P24.CD neighbor-bump: 2.56765 Ang R23.N and P24.CD other bump:2.81765 Ang F20.C and P24.CD other bump:2.97946 Ang K21.C and P24.CD self-bump: 1.37404 Ang P24.N and P24.CD other bump:2.13809 Ang F20.O and P24.CG other bump:3.105 Ang F20.C and P24.CG other bump:2.35439 Ang E17.OE1 and K21.NZ other bump:2.63941 Ang E17.CD and K21.CE other bump:2.46037 Ang E17.OE1 and K21.CE other bump:2.99408 Ang F10.CD2 and I14.CG2 other bump:2.73441 Ang I11.CG2 and I14.CG1 other bump:2.82653 Ang I11.CG2 and I14.N other bump:3.09104 Ang E6.C and F10.CE1 other bump:2.82062 Ang A7.N and F10.CE1 other bump:2.40871 Ang A7.CA and F10.CE1 other bump:2.42616 Ang A7.O and F10.CD1 other bump:2.72348 Ang A7.C and F10.CD1 other bump:2.49748 Ang A7.CA and F10.CD1 T0187 115 :VHVKGNGIGGR 1gajA 194 :NHVLELKAKGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 126 :NQELALSAAIALEGIE 1gajA 212 :RLDIVLNYIDHLYVMF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 142 :GVIL 1gajA 229 :GQII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 146 :CSAG 1gajA 253 :IYIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 8 total=509 Number of alignments=104 # Reading fragments from alignment file # T0187 read from 1gajA-T0187-local-adpstyle1.pw.a2m.gz # 1gajA read from 1gajA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 78 :CEAREAGRFIASIMKEVKFKD 1gajA 125 :PKEEEMVEKAFKILEFLKLSH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.23104 Ang V18.CG1 and F20.CZ other bump:1.91376 Ang V18.CG1 and F20.CE1 other bump:3.12183 Ang V18.CB and F20.CE1 other bump:2.22184 Ang V18.O and F20.CE1 other bump:3.00295 Ang V18.C and F20.CE1 other bump:1.60348 Ang V18.CG1 and F20.CD1 other bump:2.66116 Ang V18.CB and F20.CD1 other bump:2.48763 Ang V18.O and F20.CD1 other bump:2.87223 Ang V18.CG1 and F20.CG T0187 100 :PLKKPAALIFGGE 1gajA 146 :LYDRKAGELSGGQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.69018 Ang I10.CD1 and G15.N other bump:2.53201 Ang I10.CD1 and E14.C other bump:2.71616 Ang I10.CG1 and E14.OE1 other bump:2.28586 Ang I10.CD1 and E14.CB other bump:2.30599 Ang I10.CG1 and E14.CB other bump:2.94403 Ang I10.CD1 and E14.CA other bump:2.71999 Ang F11.CD2 and G13.N self-bump: 2.23545 Ang P2.CA and P2.CD Number of specific fragments= 2 total=511 Number of alignments=105 # Reading fragments from alignment file # T0187 read from 1gajA-T0187-local-adpstyle5.pw.a2m.gz # 1gajA read from 1gajA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 69 :AEIITTSLDCEAREAGRFIASIMKEVKFKD 1gajA 116 :NSLFYKKWIPKEEEMVEKAFKILEFLKLSH Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.23104 Ang V27.CG1 and F29.CZ other bump:3.12183 Ang V27.CB and F29.CE1 other bump:1.91376 Ang V27.CG1 and F29.CE1 other bump:2.22184 Ang V27.O and F29.CE1 other bump:3.00295 Ang V27.C and F29.CE1 other bump:2.66116 Ang V27.CB and F29.CD1 other bump:1.60348 Ang V27.CG1 and F29.CD1 other bump:2.48763 Ang V27.O and F29.CD1 other bump:2.87223 Ang V27.CG1 and F29.CG neighbor-bump: 2.34005 Ang T7.CG2 and S8.N self-bump: 1.31568 Ang T7.CA and T7.CB other bump:3.04411 Ang G1.C and I4.CG2 T0187 100 :PLKKPA 1gajA 146 :LYDRKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 2.23545 Ang P2.CA and P2.CD Number of specific fragments= 2 total=513 Number of alignments=106 # Reading fragments from alignment file # T0187 read from 1gajA-T0187-vit-adpstyle1.pw.a2m.gz # 1gajA read from 1gajA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 78 :CEAREAGRFIASIMKEVKFKD 1gajA 125 :PKEEEMVEKAFKILEFLKLSH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.23104 Ang V18.CG1 and F20.CZ other bump:1.91376 Ang V18.CG1 and F20.CE1 other bump:3.12183 Ang V18.CB and F20.CE1 other bump:2.22184 Ang V18.O and F20.CE1 other bump:3.00295 Ang V18.C and F20.CE1 other bump:1.60348 Ang V18.CG1 and F20.CD1 other bump:2.66116 Ang V18.CB and F20.CD1 other bump:2.48763 Ang V18.O and F20.CD1 other bump:2.87223 Ang V18.CG1 and F20.CG T0187 100 :PLKKPAALIFGGE 1gajA 146 :LYDRKAGELSGGQ Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.69018 Ang I10.CD1 and G15.N other bump:2.53201 Ang I10.CD1 and E14.C other bump:2.71616 Ang I10.CG1 and E14.OE1 other bump:2.28586 Ang I10.CD1 and E14.CB other bump:2.30599 Ang I10.CG1 and E14.CB other bump:2.94403 Ang I10.CD1 and E14.CA other bump:2.71999 Ang F11.CD2 and G13.N self-bump: 2.23545 Ang P2.CA and P2.CD Number of specific fragments= 2 total=515 Number of alignments=107 # Reading fragments from alignment file # T0187 read from 1gajA-T0187-vit-adpstyle5.pw.a2m.gz # 1gajA read from 1gajA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 69 :AEIITTSLDCEAREAGRFIASIMKEVKFKD 1gajA 116 :NSLFYKKWIPKEEEMVEKAFKILEFLKLSH Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.23104 Ang V27.CG1 and F29.CZ other bump:3.12183 Ang V27.CB and F29.CE1 other bump:1.91376 Ang V27.CG1 and F29.CE1 other bump:2.22184 Ang V27.O and F29.CE1 other bump:3.00295 Ang V27.C and F29.CE1 other bump:2.66116 Ang V27.CB and F29.CD1 other bump:1.60348 Ang V27.CG1 and F29.CD1 other bump:2.48763 Ang V27.O and F29.CD1 other bump:2.87223 Ang V27.CG1 and F29.CG neighbor-bump: 2.34005 Ang T7.CG2 and S8.N self-bump: 1.31568 Ang T7.CA and T7.CB other bump:3.04411 Ang G1.C and I4.CG2 T0187 100 :PLKKPA 1gajA 146 :LYDRKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 2.23545 Ang P2.CA and P2.CD Number of specific fragments= 2 total=517 Number of alignments=108 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1gajA 39 :IGPNGSGKSTLINVITGFLKADEGRVYFE Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.40282 Ang K16.C and R27.NH1 other bump:1.44266 Ang K16.O and R27.NH1 other bump:3.09653 Ang K16.C and R27.CZ other bump:2.51645 Ang K16.O and R27.CZ neighbor-bump: 1.9914 Ang S24.O and V25.CG2 neighbor-bump: 2.60035 Ang S24.C and V25.CG2 neighbor-bump: 1.87939 Ang S24.O and V25.CB neighbor-bump: 2.42683 Ang S24.C and V25.CB other bump:2.42852 Ang E15.OE2 and S22.CA other bump:3.06855 Ang E15.CD and S22.CA other bump:1.58191 Ang E15.OE2 and S22.N other bump:2.60843 Ang E15.CD and S22.N other bump:1.98965 Ang E15.OE2 and T21.C other bump:2.68201 Ang E15.CD and T21.C other bump:2.80427 Ang E15.OE1 and T21.C other bump:2.64524 Ang E15.OE2 and T21.CA other bump:3.11459 Ang E15.CD and E20.C other bump:2.64442 Ang E15.OE1 and E20.C other bump:2.5511 Ang L11.CD2 and E20.OE2 other bump:2.77699 Ang L14.CD1 and E20.OE2 other bump:2.64263 Ang E15.OE1 and E20.CB other bump:2.9974 Ang V13.CG2 and Y17.CE2 other bump:2.57849 Ang V13.O and Y17.CD2 other bump:2.95894 Ang K12.CE and K16.NZ neighbor-bump: 2.59545 Ang S5.C and T6.OG1 neighbor-bump: 1.91839 Ang S5.O and T6.CB neighbor-bump: 2.3673 Ang S5.C and T6.CB self-bump: 1.27094 Ang S5.CA and S5.CB neighbor-bump: 1.91515 Ang G1.C and P2.CD neighbor-bump: 2.85936 Ang G1.C and P2.CG T0187 34 :QETPKHLSNVEIHLIGNVQKVCDEAKSLA 1gajA 140 :FLKLSHLYDRKAGELSGGQMKLVEIGRAL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.6179 Ang I13.CG2 and K21.NZ other bump:2.81154 Ang I16.CG2 and K21.N other bump:3.22845 Ang I16.CG2 and Q20.C other bump:2.47414 Ang I16.CG2 and Q20.CB self-bump: 1.39733 Ang N18.CA and N18.CB neighbor-bump: 2.64065 Ang I16.CG2 and G17.O other bump:2.87628 Ang E12.CB and L15.CD1 other bump:3.14295 Ang E3.CA and P5.CD other bump:2.49565 Ang E3.O and P5.CD other bump:2.10382 Ang E3.C and P5.CD neighbor-bump: 1.79889 Ang T4.N and P5.CD neighbor-bump: 2.05328 Ang T4.CA and P5.CD neighbor-bump: 1.64157 Ang T4.C and P5.CD self-bump: 1.29517 Ang P5.N and P5.CD other bump:2.87197 Ang E3.CB and P5.CG other bump:2.62421 Ang E3.C and P5.CG neighbor-bump: 3.01086 Ang T4.N and P5.CG neighbor-bump: 2.70235 Ang T4.C and P5.CG self-bump: 2.15531 Ang P5.N and P5.CG T0187 64 :EKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 169 :MTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.91574 Ang N6.O and P38.CD other bump:3.15004 Ang N6.C and P38.CD other bump:2.74223 Ang V32.CG1 and R37.NH2 other bump:2.9822 Ang V32.CG2 and R37.NH2 other bump:2.0895 Ang E8.OE1 and R37.NH1 other bump:2.63489 Ang V32.CG1 and R37.CZ other bump:2.03821 Ang V32.CG1 and R37.NE other bump:3.09394 Ang V32.CG1 and R37.CD other bump:2.87075 Ang E17.CD and I25.CD1 other bump:2.15991 Ang E17.OE1 and I25.CD1 neighbor-bump: 2.75622 Ang D15.OD1 and C16.SG other bump:2.68818 Ang T12.CG2 and D15.CB self-bump: 2.20853 Ang T11.CA and T11.OG1 other bump:2.7863 Ang E8.CD and I10.CD1 other bump:2.5161 Ang E8.OE2 and I10.CD1 other bump:3.07835 Ang E8.OE2 and I10.CG1 other bump:2.0279 Ang K3.CE and F5.CZ other bump:1.77944 Ang K3.NZ and F5.CZ other bump:2.49098 Ang K3.CD and F5.CZ other bump:2.96603 Ang K3.CB and F5.CZ other bump:2.34607 Ang K3.CE and F5.CE2 other bump:2.02806 Ang K3.NZ and F5.CE2 other bump:2.92261 Ang K3.CB and F5.CE1 T0187 102 :KKPAALIFGG 1gajA 220 :IDHLYVMFNG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALEGI 1gajA 230 :QIIAEGRGEEEIKNVLSDPKVVEIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.23002 Ang I8.CG2 and G9.N self-bump: 1.33711 Ang I8.CA and I8.CB T0187 148 :AG 1gajA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=523 Number of alignments=109 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 34 :QETPKHLSNVEIHLIGN 1gajA 15 :KYFGEFKALDGVSISVN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.65043 Ang T4.OG1 and H7.CD2 self-bump: 2.19893 Ang P5.CB and P5.C neighbor-bump: 2.22651 Ang T4.O and P5.CD neighbor-bump: 2.07675 Ang T4.C and P5.CD self-bump: 2.20773 Ang P5.CA and P5.CD self-bump: 1.98687 Ang P5.CA and P5.CG self-bump: 1.16791 Ang P5.CA and P5.CB T0187 65 :KGFNAEIITTSLDCEAREA 1gajA 32 :KGDVTLIIGPNGSGKSTLI Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.21292 Ang C15.SG and R18.NH1 other bump:2.44741 Ang T10.CB and E16.OE2 other bump:1.89721 Ang T10.CG2 and E16.OE2 other bump:2.16555 Ang I9.C and E16.OE2 other bump:2.36066 Ang T10.N and E16.OE2 other bump:2.51988 Ang T10.CG2 and E16.CD other bump:2.82733 Ang T10.CG2 and E16.CG other bump:1.29425 Ang T10.CB and D14.OD2 other bump:0.877391 Ang T10.CG2 and D14.OD2 other bump:1.65533 Ang T10.OG1 and D14.OD2 other bump:2.77456 Ang T10.CA and D14.OD2 other bump:2.24115 Ang T10.CG2 and D14.OD1 other bump:2.55027 Ang T10.CB and D14.CG other bump:1.70582 Ang T10.CG2 and D14.CG other bump:2.65952 Ang T10.OG1 and D14.CB neighbor-bump: 2.47929 Ang S12.O and L13.CG neighbor-bump: 1.94939 Ang S12.O and L13.CB neighbor-bump: 2.4002 Ang S12.C and L13.CB self-bump: 1.27093 Ang S12.CA and S12.CB other bump:2.32847 Ang G1.C and F4.CE1 other bump:1.71696 Ang G1.O and F4.CD1 other bump:1.9538 Ang G1.C and F4.CD1 other bump:2.99224 Ang K2.N and F4.CD1 other bump:3.2546 Ang G1.C and F4.CG T0187 93 :EVKFKDRP 1gajA 51 :NVITGFLK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.02066 Ang E2.OE1 and R8.NH2 other bump:2.44578 Ang E2.OE1 and R8.CZ other bump:2.2165 Ang G1.O and F5.CD1 T0187 102 :KKPAALIFGG 1gajA 220 :IDHLYVMFNG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALEG 1gajA 230 :QIIAEGRGEEEIKNVLSDPKVVEI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.23002 Ang I8.CG2 and G9.N self-bump: 1.33711 Ang I8.CA and I8.CB T0187 147 :SAG 1gajA 254 :YIG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 6 total=529 Number of alignments=110 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1gajA 126 :KEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.78216 Ang Y17.CB and I19.CD1 other bump:2.62183 Ang V13.CG2 and Y17.CE1 T0187 30 :RAILQETPKHL 1gajA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.78907 Ang E7.OE1 and H11.CB self-bump: 1.39376 Ang P9.N and P9.CD T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 155 :SGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:1.91574 Ang N20.O and P52.CD other bump:3.15004 Ang N20.C and P52.CD other bump:2.74223 Ang V46.CG1 and R51.NH2 other bump:2.9822 Ang V46.CG2 and R51.NH2 other bump:2.0895 Ang E22.OE1 and R51.NH1 other bump:2.63489 Ang V46.CG1 and R51.CZ other bump:2.03821 Ang V46.CG1 and R51.NE other bump:3.09394 Ang V46.CG1 and R51.CD other bump:2.93255 Ang K11.NZ and I42.CG2 other bump:2.87075 Ang E31.CD and I39.CD1 other bump:2.15991 Ang E31.OE1 and I39.CD1 other bump:2.52936 Ang Q4.NE2 and I39.CD1 other bump:3.12058 Ang Q4.CB and A35.CB other bump:2.99913 Ang Q4.CG and A35.CB other bump:2.01974 Ang C7.SG and E31.OE2 other bump:2.38957 Ang C7.CB and E31.OE2 other bump:2.27311 Ang Q4.OE1 and E31.OE1 other bump:1.41227 Ang Q4.CD and E31.OE1 other bump:2.69003 Ang Q4.CA and E31.OE1 other bump:2.51531 Ang Q4.CB and E31.OE1 other bump:1.0279 Ang Q4.NE2 and E31.OE1 other bump:1.76531 Ang Q4.OE1 and E31.CD other bump:2.99086 Ang C7.SG and E31.CD other bump:1.74978 Ang Q4.CD and E31.CD other bump:2.79338 Ang Q4.CA and E31.CD other bump:2.87971 Ang Q4.CG and E31.CD other bump:0.866068 Ang Q4.OE1 and E31.CG other bump:1.7931 Ang Q4.CD and E31.CG other bump:3.17011 Ang Q4.CA and E31.CG other bump:2.64518 Ang Q4.CG and E31.CG other bump:2.73202 Ang Q4.NE2 and E31.CG other bump:0.778006 Ang Q4.OE1 and E31.CB other bump:1.65918 Ang Q4.CD and E31.CB other bump:2.54032 Ang Q4.CG and E31.CB other bump:2.62362 Ang Q4.NE2 and E31.CB other bump:2.13019 Ang Q4.OE1 and E31.CA other bump:2.96381 Ang Q4.CD and E31.CA neighbor-bump: 2.75622 Ang D29.OD1 and C30.SG other bump:2.68818 Ang T26.CG2 and D29.CB self-bump: 2.20853 Ang T25.CA and T25.OG1 other bump:2.7863 Ang E22.CD and I24.CD1 other bump:2.5161 Ang E22.OE2 and I24.CD1 other bump:3.07835 Ang E22.OE2 and I24.CG1 other bump:2.02791 Ang K17.CE and F19.CZ other bump:1.77945 Ang K17.NZ and F19.CZ other bump:2.49099 Ang K17.CD and F19.CZ other bump:2.96604 Ang K17.CB and F19.CZ other bump:2.34608 Ang K17.CE and F19.CE2 other bump:2.02807 Ang K17.NZ and F19.CE2 other bump:1.78262 Ang A14.O and F19.CE1 other bump:2.66513 Ang A14.C and F19.CE1 other bump:2.92261 Ang K17.CB and F19.CE1 other bump:2.26241 Ang A14.O and F19.CD1 other bump:2.36438 Ang L13.CD1 and E16.OE1 other bump:1.71544 Ang K11.NZ and K15.NZ other bump:3.03519 Ang K11.CE and K15.CE other bump:1.94905 Ang K11.NZ and K15.CE T0187 102 :KKPAALIFGG 1gajA 220 :IDHLYVMFNG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALS 1gajA 230 :QIIAEGRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.23002 Ang I8.CG2 and G9.N self-bump: 1.33711 Ang I8.CA and I8.CB Number of specific fragments= 5 total=534 Number of alignments=111 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1gajA 126 :KEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.78216 Ang Y17.CB and I19.CD1 other bump:2.62183 Ang V13.CG2 and Y17.CE1 T0187 30 :RAILQETPKHLS 1gajA 144 :SHLYDRKAGELS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.78907 Ang E7.OE1 and H11.CB self-bump: 1.39376 Ang P9.N and P9.CD T0187 50 :NVQKVCDEAKSL 1gajA 156 :GGQMKLVEIGRA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 63 :KEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 168 :LMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:1.91574 Ang N7.O and P39.CD other bump:3.15004 Ang N7.C and P39.CD other bump:2.74223 Ang V33.CG1 and R38.NH2 other bump:2.9822 Ang V33.CG2 and R38.NH2 other bump:2.0895 Ang E9.OE1 and R38.NH1 other bump:2.63489 Ang V33.CG1 and R38.CZ other bump:2.03821 Ang V33.CG1 and R38.NE other bump:3.09394 Ang V33.CG1 and R38.CD other bump:2.87075 Ang E18.CD and I26.CD1 other bump:2.15991 Ang E18.OE1 and I26.CD1 neighbor-bump: 2.75622 Ang D16.OD1 and C17.SG other bump:2.68818 Ang T13.CG2 and D16.CB self-bump: 2.20853 Ang T12.CA and T12.OG1 other bump:2.7863 Ang E9.CD and I11.CD1 other bump:2.5161 Ang E9.OE2 and I11.CD1 other bump:3.07835 Ang E9.OE2 and I11.CG1 other bump:2.02791 Ang K4.CE and F6.CZ other bump:1.77945 Ang K4.NZ and F6.CZ other bump:2.49099 Ang K4.CD and F6.CZ other bump:2.96604 Ang K4.CB and F6.CZ other bump:2.34609 Ang K4.CE and F6.CE2 other bump:2.02808 Ang K4.NZ and F6.CE2 other bump:1.78262 Ang G1.O and F6.CE1 other bump:2.66513 Ang G1.C and F6.CE1 other bump:2.92261 Ang K4.CB and F6.CE1 other bump:2.26241 Ang G1.O and F6.CD1 T0187 102 :KKPAALIFGG 1gajA 220 :IDHLYVMFNG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALS 1gajA 230 :QIIAEGRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.23002 Ang I8.CG2 and G9.N self-bump: 1.33711 Ang I8.CA and I8.CB Number of specific fragments= 6 total=540 Number of alignments=112 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1gajA 39 :IGPNGSGKSTLINVITGFLKADEGRVYFE Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.40282 Ang K16.C and R27.NH1 other bump:1.44266 Ang K16.O and R27.NH1 other bump:3.09653 Ang K16.C and R27.CZ other bump:2.51645 Ang K16.O and R27.CZ neighbor-bump: 1.9914 Ang S24.O and V25.CG2 neighbor-bump: 2.60035 Ang S24.C and V25.CG2 neighbor-bump: 1.87939 Ang S24.O and V25.CB neighbor-bump: 2.42683 Ang S24.C and V25.CB other bump:2.42852 Ang E15.OE2 and S22.CA other bump:3.06855 Ang E15.CD and S22.CA other bump:1.58191 Ang E15.OE2 and S22.N other bump:2.60843 Ang E15.CD and S22.N other bump:1.98965 Ang E15.OE2 and T21.C other bump:2.68201 Ang E15.CD and T21.C other bump:2.80427 Ang E15.OE1 and T21.C other bump:2.64524 Ang E15.OE2 and T21.CA other bump:3.11459 Ang E15.CD and E20.C other bump:2.64442 Ang E15.OE1 and E20.C other bump:2.5511 Ang L11.CD2 and E20.OE2 other bump:2.77699 Ang L14.CD1 and E20.OE2 other bump:2.64263 Ang E15.OE1 and E20.CB other bump:2.9974 Ang V13.CG2 and Y17.CE2 other bump:2.57849 Ang V13.O and Y17.CD2 other bump:2.95894 Ang K12.CE and K16.NZ neighbor-bump: 2.59545 Ang S5.C and T6.OG1 neighbor-bump: 1.91839 Ang S5.O and T6.CB neighbor-bump: 2.3673 Ang S5.C and T6.CB self-bump: 1.27094 Ang S5.CA and S5.CB neighbor-bump: 1.91515 Ang G1.C and P2.CD neighbor-bump: 2.85936 Ang G1.C and P2.CG T0187 34 :QETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGF 1gajA 110 :PGESPLNSLFYKKWIPKEEEMVEKAFKILEFLKL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:2.66739 Ang K33.CB and F35.CE1 other bump:2.62271 Ang K33.CB and F35.CD1 neighbor-bump: 2.17709 Ang I13.CG2 and H14.N self-bump: 2.42883 Ang I13.CG2 and I13.C self-bump: 1.36286 Ang I13.CA and I13.CB other bump:2.86428 Ang P5.CG and L8.CB other bump:2.17247 Ang G1.O and T4.OG1 T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 173 :KMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 36 residues other bump:3.15004 Ang N2.C and P34.CD other bump:1.91574 Ang N2.O and P34.CD other bump:2.74223 Ang V28.CG1 and R33.NH2 other bump:2.9822 Ang V28.CG2 and R33.NH2 other bump:2.0895 Ang E4.OE1 and R33.NH1 other bump:2.63489 Ang V28.CG1 and R33.CZ other bump:2.03821 Ang V28.CG1 and R33.NE other bump:3.09394 Ang V28.CG1 and R33.CD other bump:2.87075 Ang E13.CD and I21.CD1 other bump:2.15991 Ang E13.OE1 and I21.CD1 neighbor-bump: 2.75622 Ang D11.OD1 and C12.SG other bump:2.68818 Ang T8.CG2 and D11.CB self-bump: 2.20853 Ang T7.CA and T7.OG1 other bump:2.7863 Ang E4.CD and I6.CD1 other bump:2.5161 Ang E4.OE2 and I6.CD1 other bump:3.07835 Ang E4.OE2 and I6.CG1 T0187 102 :KKPAALIFGG 1gajA 220 :IDHLYVMFNG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALEGI 1gajA 230 :QIIAEGRGEEEIKNVLSDPKVVEIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.23002 Ang I8.CG2 and G9.N self-bump: 1.33711 Ang I8.CA and I8.CB T0187 148 :AG 1gajA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=546 Number of alignments=113 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKV 1gajA 41 :PNGSGKSTLINV Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.553 Ang E8.CD and K12.CD other bump:2.0698 Ang E8.OE2 and K12.CD neighbor-bump: 2.76514 Ang S5.C and T6.OG1 neighbor-bump: 2.08667 Ang S5.O and T6.CB neighbor-bump: 2.39771 Ang S5.C and T6.CB neighbor-bump: 2.7285 Ang D3.C and S4.OG neighbor-bump: 2.37179 Ang D3.C and S4.CB neighbor-bump: 1.92202 Ang D3.O and S4.CB T0187 19 :KYGIETSESVKRAIL 1gajA 53 :ITGFLKADEGRVYFE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:1.44266 Ang K2.O and R13.NH1 other bump:2.40282 Ang K2.C and R13.NH1 other bump:2.51645 Ang K2.O and R13.CZ other bump:3.09653 Ang K2.C and R13.CZ neighbor-bump: 1.9914 Ang S10.O and V11.CG2 neighbor-bump: 2.60035 Ang S10.C and V11.CG2 neighbor-bump: 1.87939 Ang S10.O and V11.CB neighbor-bump: 2.42683 Ang S10.C and V11.CB T0187 37 :PKHLSNVEIHLIGNVQKVCDEAKSLAKEKGF 1gajA 113 :SPLNSLFYKKWIPKEEEMVEKAFKILEFLKL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.66739 Ang K30.CB and F32.CE1 other bump:2.62271 Ang K30.CB and F32.CD1 neighbor-bump: 2.17709 Ang I10.CG2 and H11.N self-bump: 2.42883 Ang I10.CG2 and I10.C self-bump: 1.36286 Ang I10.CA and I10.CB other bump:2.86428 Ang P2.CG and L5.CB T0187 103 :KPAALIFGGE 1gajA 221 :DHLYVMFNGQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55437 Ang K2.N and P3.CD neighbor-bump: 2.82583 Ang K2.CB and P3.CD neighbor-bump: 1.89527 Ang K2.O and P3.CD neighbor-bump: 2.187 Ang K2.CA and P3.CD neighbor-bump: 1.25838 Ang K2.C and P3.CD neighbor-bump: 1.83334 Ang K2.O and P3.CG neighbor-bump: 2.1258 Ang K2.C and P3.CG T0187 117 :VKGNGIGGRNQELALSAAIALEGI 1gajA 231 :IIAEGRGEEEIKNVLSDPKVVEIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.23002 Ang I7.CG2 and G8.N self-bump: 1.33711 Ang I7.CA and I7.CB T0187 148 :AG 1gajA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=552 Number of alignments=114 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 154 :LSGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 55 residues other bump:1.91574 Ang N21.O and P53.CD other bump:3.15004 Ang N21.C and P53.CD other bump:2.74223 Ang V47.CG1 and R52.NH2 other bump:2.9822 Ang V47.CG2 and R52.NH2 other bump:2.0895 Ang E23.OE1 and R52.NH1 other bump:2.63489 Ang V47.CG1 and R52.CZ other bump:2.03821 Ang V47.CG1 and R52.NE other bump:3.09394 Ang V47.CG1 and R52.CD other bump:2.93255 Ang K12.NZ and I43.CG2 other bump:2.87075 Ang E32.CD and I40.CD1 other bump:2.15991 Ang E32.OE1 and I40.CD1 other bump:2.52936 Ang Q5.NE2 and I40.CD1 other bump:3.12058 Ang Q5.CB and A36.CB other bump:2.99913 Ang Q5.CG and A36.CB other bump:2.01974 Ang C8.SG and E32.OE2 other bump:2.38957 Ang C8.CB and E32.OE2 other bump:2.27311 Ang Q5.OE1 and E32.OE1 other bump:1.41227 Ang Q5.CD and E32.OE1 other bump:2.69003 Ang Q5.CA and E32.OE1 other bump:2.51531 Ang Q5.CB and E32.OE1 other bump:1.0279 Ang Q5.NE2 and E32.OE1 other bump:1.76531 Ang Q5.OE1 and E32.CD other bump:2.99086 Ang C8.SG and E32.CD other bump:1.74978 Ang Q5.CD and E32.CD other bump:2.79338 Ang Q5.CA and E32.CD other bump:2.87971 Ang Q5.CG and E32.CD other bump:0.866068 Ang Q5.OE1 and E32.CG other bump:1.7931 Ang Q5.CD and E32.CG other bump:3.17011 Ang Q5.CA and E32.CG other bump:2.64518 Ang Q5.CG and E32.CG other bump:2.73202 Ang Q5.NE2 and E32.CG other bump:0.778006 Ang Q5.OE1 and E32.CB other bump:1.65918 Ang Q5.CD and E32.CB other bump:2.54032 Ang Q5.CG and E32.CB other bump:2.62362 Ang Q5.NE2 and E32.CB other bump:2.13019 Ang Q5.OE1 and E32.CA other bump:2.96381 Ang Q5.CD and E32.CA neighbor-bump: 2.75622 Ang D30.OD1 and C31.SG other bump:2.68818 Ang T27.CG2 and D30.CB self-bump: 2.20853 Ang T26.CA and T26.OG1 other bump:2.7863 Ang E23.CD and I25.CD1 other bump:2.5161 Ang E23.OE2 and I25.CD1 other bump:3.07835 Ang E23.OE2 and I25.CG1 other bump:2.02791 Ang K18.CE and F20.CZ other bump:1.77945 Ang K18.NZ and F20.CZ other bump:2.49099 Ang K18.CD and F20.CZ other bump:2.96604 Ang K18.CB and F20.CZ other bump:2.34608 Ang K18.CE and F20.CE2 other bump:2.02807 Ang K18.NZ and F20.CE2 other bump:1.78262 Ang A15.O and F20.CE1 other bump:2.66513 Ang A15.C and F20.CE1 other bump:2.92261 Ang K18.CB and F20.CE1 other bump:2.26241 Ang A15.O and F20.CD1 other bump:2.36438 Ang L14.CD1 and E17.OE1 other bump:1.71544 Ang K12.NZ and K16.NZ other bump:3.03519 Ang K12.CE and K16.CE other bump:1.94905 Ang K12.NZ and K16.CE T0187 102 :KKPAALIFGG 1gajA 220 :IDHLYVMFNG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALE 1gajA 230 :QIIAEGRGEEEIKNVLSDPKVVE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.23002 Ang I8.CG2 and G9.N self-bump: 1.33711 Ang I8.CA and I8.CB Number of specific fragments= 3 total=555 Number of alignments=115 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 9 :TSEDALKVLEKYGIE 1gajA 130 :MVEKAFKILEFLKLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.78216 Ang Y13.CB and I15.CD1 other bump:2.62183 Ang V9.CG2 and Y13.CE1 T0187 31 :AILQETPKH 1gajA 145 :HLYDRKAGE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.38685 Ang T7.OG1 and H10.CD2 self-bump: 1.39376 Ang P8.N and P8.CD T0187 48 :IGNVQKVCDEAKSLA 1gajA 154 :LSGGQMKLVEIGRAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.69018 Ang I2.CD1 and K7.N other bump:2.53201 Ang I2.CD1 and Q6.C other bump:2.37051 Ang I2.CD1 and Q6.CB other bump:2.29281 Ang I2.CG1 and Q6.CB other bump:2.94404 Ang I2.CD1 and Q6.CA self-bump: 1.39733 Ang N4.CA and N4.CB T0187 64 :EKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 169 :MTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.91574 Ang N6.O and P38.CD other bump:3.15004 Ang N6.C and P38.CD other bump:2.74223 Ang V32.CG1 and R37.NH2 other bump:2.9822 Ang V32.CG2 and R37.NH2 other bump:2.0895 Ang E8.OE1 and R37.NH1 other bump:2.63489 Ang V32.CG1 and R37.CZ other bump:2.03821 Ang V32.CG1 and R37.NE other bump:3.09394 Ang V32.CG1 and R37.CD other bump:2.87075 Ang E17.CD and I25.CD1 other bump:2.15991 Ang E17.OE1 and I25.CD1 neighbor-bump: 2.75622 Ang D15.OD1 and C16.SG other bump:2.68818 Ang T12.CG2 and D15.CB self-bump: 2.20853 Ang T11.CA and T11.OG1 other bump:2.7863 Ang E8.CD and I10.CD1 other bump:2.5161 Ang E8.OE2 and I10.CD1 other bump:3.07835 Ang E8.OE2 and I10.CG1 other bump:2.0279 Ang K3.CE and F5.CZ other bump:1.77944 Ang K3.NZ and F5.CZ other bump:2.49098 Ang K3.CD and F5.CZ other bump:2.96603 Ang K3.CB and F5.CZ other bump:2.34607 Ang K3.CE and F5.CE2 other bump:2.02806 Ang K3.NZ and F5.CE2 other bump:2.92261 Ang K3.CB and F5.CE1 T0187 103 :KPAALIFGGE 1gajA 221 :DHLYVMFNGQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.55437 Ang K2.N and P3.CD neighbor-bump: 2.82583 Ang K2.CB and P3.CD neighbor-bump: 1.89527 Ang K2.O and P3.CD neighbor-bump: 2.187 Ang K2.CA and P3.CD neighbor-bump: 1.25838 Ang K2.C and P3.CD neighbor-bump: 1.83334 Ang K2.O and P3.CG neighbor-bump: 2.1258 Ang K2.C and P3.CG T0187 117 :VKGNGIGGRNQELALSAAI 1gajA 231 :IIAEGRGEEEIKNVLSDPK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.23002 Ang I7.CG2 and G8.N self-bump: 1.33711 Ang I7.CA and I7.CB Number of specific fragments= 6 total=561 Number of alignments=116 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1gajA 39 :IGPNGSGKSTLINVITGFLKADEGRVYFE Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.40282 Ang K16.C and R27.NH1 other bump:1.44266 Ang K16.O and R27.NH1 other bump:3.09653 Ang K16.C and R27.CZ other bump:2.51645 Ang K16.O and R27.CZ neighbor-bump: 1.9914 Ang S24.O and V25.CG2 neighbor-bump: 2.60035 Ang S24.C and V25.CG2 neighbor-bump: 1.87939 Ang S24.O and V25.CB neighbor-bump: 2.42683 Ang S24.C and V25.CB other bump:2.42852 Ang E15.OE2 and S22.CA other bump:3.06855 Ang E15.CD and S22.CA other bump:1.58191 Ang E15.OE2 and S22.N other bump:2.60843 Ang E15.CD and S22.N other bump:1.98965 Ang E15.OE2 and T21.C other bump:2.68201 Ang E15.CD and T21.C other bump:2.80427 Ang E15.OE1 and T21.C other bump:2.64524 Ang E15.OE2 and T21.CA other bump:3.11459 Ang E15.CD and E20.C other bump:2.64442 Ang E15.OE1 and E20.C other bump:2.5511 Ang L11.CD2 and E20.OE2 other bump:2.77699 Ang L14.CD1 and E20.OE2 other bump:2.64263 Ang E15.OE1 and E20.CB other bump:2.9974 Ang V13.CG2 and Y17.CE2 other bump:2.57849 Ang V13.O and Y17.CD2 other bump:2.95894 Ang K12.CE and K16.NZ neighbor-bump: 2.59545 Ang S5.C and T6.OG1 neighbor-bump: 1.91839 Ang S5.O and T6.CB neighbor-bump: 2.3673 Ang S5.C and T6.CB self-bump: 1.27094 Ang S5.CA and S5.CB neighbor-bump: 1.91515 Ang G1.C and P2.CD neighbor-bump: 2.85936 Ang G1.C and P2.CG T0187 34 :QETPKHLSNVEIHLIGNVQKVCDEAKSLA 1gajA 140 :FLKLSHLYDRKAGELSGGQMKLVEIGRAL Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.6179 Ang I13.CG2 and K21.NZ other bump:2.81154 Ang I16.CG2 and K21.N other bump:3.22845 Ang I16.CG2 and Q20.C other bump:2.47414 Ang I16.CG2 and Q20.CB self-bump: 1.39733 Ang N18.CA and N18.CB neighbor-bump: 2.64065 Ang I16.CG2 and G17.O other bump:2.87628 Ang E12.CB and L15.CD1 other bump:3.14295 Ang E3.CA and P5.CD other bump:2.49565 Ang E3.O and P5.CD other bump:2.10382 Ang E3.C and P5.CD neighbor-bump: 1.79889 Ang T4.N and P5.CD neighbor-bump: 2.05328 Ang T4.CA and P5.CD neighbor-bump: 1.64157 Ang T4.C and P5.CD self-bump: 1.29517 Ang P5.N and P5.CD other bump:2.87197 Ang E3.CB and P5.CG other bump:2.62421 Ang E3.C and P5.CG neighbor-bump: 3.01086 Ang T4.N and P5.CG neighbor-bump: 2.70235 Ang T4.C and P5.CG self-bump: 2.15531 Ang P5.N and P5.CG T0187 64 :EKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 169 :MTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:1.91574 Ang N6.O and P38.CD other bump:3.15004 Ang N6.C and P38.CD other bump:2.74223 Ang V32.CG1 and R37.NH2 other bump:2.9822 Ang V32.CG2 and R37.NH2 other bump:2.0895 Ang E8.OE1 and R37.NH1 other bump:2.63489 Ang V32.CG1 and R37.CZ other bump:2.03821 Ang V32.CG1 and R37.NE other bump:3.09394 Ang V32.CG1 and R37.CD other bump:2.87075 Ang E17.CD and I25.CD1 other bump:2.15991 Ang E17.OE1 and I25.CD1 neighbor-bump: 2.75622 Ang D15.OD1 and C16.SG other bump:2.68818 Ang T12.CG2 and D15.CB self-bump: 2.20853 Ang T11.CA and T11.OG1 other bump:2.7863 Ang E8.CD and I10.CD1 other bump:2.5161 Ang E8.OE2 and I10.CD1 other bump:3.07835 Ang E8.OE2 and I10.CG1 other bump:2.0279 Ang K3.CE and F5.CZ other bump:1.77944 Ang K3.NZ and F5.CZ other bump:2.49098 Ang K3.CD and F5.CZ other bump:2.96603 Ang K3.CB and F5.CZ other bump:2.34607 Ang K3.CE and F5.CE2 other bump:2.02806 Ang K3.NZ and F5.CE2 other bump:2.92261 Ang K3.CB and F5.CE1 T0187 102 :KKPAALIFGGETVVH 1gajA 220 :IDHLYVMFNGQIIAE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.90005 Ang H16.CD2 and G17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALSAAIALEGI 1gajA 235 :GRGEEEIKNVLSDPKVVEIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.23002 Ang I3.CG2 and G4.N self-bump: 1.33711 Ang I3.CA and I3.CB T0187 148 :AG 1gajA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=567 Number of alignments=117 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 65 :KGFNAEIITTSLDCEAREA 1gajA 32 :KGDVTLIIGPNGSGKSTLI Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.21292 Ang C15.SG and R18.NH1 other bump:2.44741 Ang T10.CB and E16.OE2 other bump:1.89721 Ang T10.CG2 and E16.OE2 other bump:2.16555 Ang I9.C and E16.OE2 other bump:2.36066 Ang T10.N and E16.OE2 other bump:2.51988 Ang T10.CG2 and E16.CD other bump:2.82733 Ang T10.CG2 and E16.CG other bump:1.29425 Ang T10.CB and D14.OD2 other bump:0.877391 Ang T10.CG2 and D14.OD2 other bump:1.65533 Ang T10.OG1 and D14.OD2 other bump:2.77456 Ang T10.CA and D14.OD2 other bump:2.24115 Ang T10.CG2 and D14.OD1 other bump:2.55027 Ang T10.CB and D14.CG other bump:1.70582 Ang T10.CG2 and D14.CG other bump:2.65952 Ang T10.OG1 and D14.CB neighbor-bump: 2.47929 Ang S12.O and L13.CG neighbor-bump: 1.94939 Ang S12.O and L13.CB neighbor-bump: 2.4002 Ang S12.C and L13.CB self-bump: 1.27093 Ang S12.CA and S12.CB other bump:2.32847 Ang G1.C and F4.CE1 other bump:1.71696 Ang G1.O and F4.CD1 other bump:1.9538 Ang G1.C and F4.CD1 other bump:2.99224 Ang K2.N and F4.CD1 other bump:3.2546 Ang G1.C and F4.CG T0187 93 :EVKFKDRP 1gajA 51 :NVITGFLK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.02066 Ang E2.OE1 and R8.NH2 other bump:2.44578 Ang E2.OE1 and R8.CZ other bump:2.2165 Ang G1.O and F5.CD1 T0187 102 :KKPAALIFGGETVV 1gajA 220 :IDHLYVMFNGQIIA Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.32139 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53894 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 120 :NGIGGRNQELALSAAIALEGI 1gajA 234 :EGRGEEEIKNVLSDPKVVEIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 2.23002 Ang I4.CG2 and G5.N self-bump: 1.33711 Ang I4.CA and I4.CB T0187 148 :AG 1gajA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 5 total=572 Number of alignments=118 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSST 1gajA 40 :GPNGS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.7285 Ang S4.C and S5.OG neighbor-bump: 1.92202 Ang S4.O and S5.CB neighbor-bump: 2.37179 Ang S4.C and S5.CB neighbor-bump: 0.798845 Ang G1.O and P2.CD neighbor-bump: 1.4078 Ang G1.C and P2.CD self-bump: 2.22769 Ang P2.CA and P2.CD neighbor-bump: 2.28197 Ang G1.O and P2.CG neighbor-bump: 2.74821 Ang G1.C and P2.CG self-bump: 2.14833 Ang P2.CA and P2.CG self-bump: 1.23135 Ang P2.CA and P2.CB T0187 12 :DALKVLEKYGIE 1gajA 46 :KSTLINVITGFL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.64524 Ang E8.OE2 and G14.CA other bump:2.64442 Ang E8.OE1 and E13.C other bump:3.11459 Ang E8.CD and E13.C other bump:3.13812 Ang L7.CB and E13.CG other bump:2.59662 Ang E8.OE1 and E13.CB other bump:2.9974 Ang V6.CG2 and Y10.CE2 other bump:2.57849 Ang V6.O and Y10.CD2 other bump:2.95894 Ang K5.CE and K9.NZ T0187 24 :TSESVKRAIL 1gajA 74 :KEPAELYHYG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.52752 Ang T2.CG2 and V6.CG1 other bump:2.68722 Ang T2.CG2 and V6.CB T0187 34 :QETP 1gajA 88 :FQTP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 38 :KHLSNVE 1gajA 118 :LFYKKWI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 2.20483 Ang S5.CB and S5.C self-bump: 1.2829 Ang S5.CA and S5.CB T0187 49 :GNVQKVCDEAKSLAKEKGF 1gajA 125 :PKEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.66739 Ang K18.CB and F20.CE1 other bump:2.62271 Ang K18.CB and F20.CD1 T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKDR 1gajA 173 :KMIVMDQPIAGVAPGLAHDIFNHVLELKAKGI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.87075 Ang E13.CD and I21.CD1 other bump:2.15991 Ang E13.OE1 and I21.CD1 neighbor-bump: 2.75622 Ang D11.OD1 and C12.SG other bump:2.68818 Ang T8.CG2 and D11.CB self-bump: 2.20853 Ang T7.CA and T7.OG1 other bump:2.7863 Ang E4.CD and I6.CD1 other bump:2.5161 Ang E4.OE2 and I6.CD1 other bump:3.07835 Ang E4.OE2 and I6.CG1 T0187 100 :PL 1gajA 210 :EH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 102 :KKPAALIFGGETVVHVKG 1gajA 220 :IDHLYVMFNGQIIAEGRG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.73748 Ang H16.C and V17.CG2 neighbor-bump: 2.00661 Ang H16.O and V17.CG2 neighbor-bump: 2.90005 Ang H16.CD2 and V17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 126 :NQELALSAA 1gajA 238 :EEEIKNVLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 135 :IALE 1gajA 251 :VEIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 148 :AG 1gajA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 12 total=584 Number of alignments=119 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTS 1gajA 40 :GPNGSG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues neighbor-bump: 2.7285 Ang S4.C and S5.OG neighbor-bump: 1.92202 Ang S4.O and S5.CB neighbor-bump: 2.37179 Ang S4.C and S5.CB neighbor-bump: 0.798845 Ang G1.O and P2.CD neighbor-bump: 1.4078 Ang G1.C and P2.CD self-bump: 2.22769 Ang P2.CA and P2.CD neighbor-bump: 2.28197 Ang G1.O and P2.CG neighbor-bump: 2.74821 Ang G1.C and P2.CG self-bump: 2.14833 Ang P2.CA and P2.CG self-bump: 1.23135 Ang P2.CA and P2.CB T0187 12 :DALKVLEKYGIE 1gajA 46 :KSTLINVITGFL Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.64524 Ang E8.OE2 and G14.CA other bump:2.64442 Ang E8.OE1 and E13.C other bump:3.11459 Ang E8.CD and E13.C other bump:3.13812 Ang L7.CB and E13.CG other bump:2.59662 Ang E8.OE1 and E13.CB other bump:2.9974 Ang V6.CG2 and Y10.CE2 other bump:2.57849 Ang V6.O and Y10.CD2 other bump:2.95894 Ang K5.CE and K9.NZ T0187 24 :TSESVKRAIL 1gajA 74 :KEPAELYHYG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.52752 Ang T2.CG2 and V6.CG1 other bump:2.68722 Ang T2.CG2 and V6.CB T0187 38 :KHLSNVE 1gajA 118 :LFYKKWI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 2.20483 Ang S5.CB and S5.C self-bump: 1.2829 Ang S5.CA and S5.CB T0187 49 :GNVQKVCDEAKSLAKEKGF 1gajA 125 :PKEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.66739 Ang K18.CB and F20.CE1 other bump:2.62271 Ang K18.CB and F20.CD1 T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKDR 1gajA 173 :KMIVMDQPIAGVAPGLAHDIFNHVLELKAKGI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.87075 Ang E13.CD and I21.CD1 other bump:2.15991 Ang E13.OE1 and I21.CD1 neighbor-bump: 2.75622 Ang D11.OD1 and C12.SG other bump:2.68818 Ang T8.CG2 and D11.CB self-bump: 2.20853 Ang T7.CA and T7.OG1 other bump:2.7863 Ang E4.CD and I6.CD1 other bump:2.5161 Ang E4.OE2 and I6.CD1 other bump:3.07835 Ang E4.OE2 and I6.CG1 T0187 100 :PL 1gajA 210 :EH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 102 :KKPAALIFGGETVVHVKG 1gajA 220 :IDHLYVMFNGQIIAEGRG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.73748 Ang H16.C and V17.CG2 neighbor-bump: 2.00661 Ang H16.O and V17.CG2 neighbor-bump: 2.90005 Ang H16.CD2 and V17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 125 :RNQELALS 1gajA 239 :EEIKNVLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 133 :AAIALE 1gajA 249 :KVVEIY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 148 :AG 1gajA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 11 total=595 Number of alignments=120 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1gajA 126 :KEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.78216 Ang Y17.CB and I19.CD1 other bump:2.62183 Ang V13.CG2 and Y17.CE1 T0187 30 :RAILQETPKHL 1gajA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.78907 Ang E7.OE1 and H11.CB self-bump: 1.39376 Ang P9.N and P9.CD T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 155 :SGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:1.91574 Ang N20.O and P52.CD other bump:3.15004 Ang N20.C and P52.CD other bump:2.74223 Ang V46.CG1 and R51.NH2 other bump:2.9822 Ang V46.CG2 and R51.NH2 other bump:2.0895 Ang E22.OE1 and R51.NH1 other bump:2.63489 Ang V46.CG1 and R51.CZ other bump:2.03821 Ang V46.CG1 and R51.NE other bump:3.09394 Ang V46.CG1 and R51.CD other bump:2.93255 Ang K11.NZ and I42.CG2 other bump:2.87075 Ang E31.CD and I39.CD1 other bump:2.15991 Ang E31.OE1 and I39.CD1 other bump:2.52936 Ang Q4.NE2 and I39.CD1 other bump:3.12058 Ang Q4.CB and A35.CB other bump:2.99913 Ang Q4.CG and A35.CB other bump:2.01974 Ang C7.SG and E31.OE2 other bump:2.38957 Ang C7.CB and E31.OE2 other bump:2.27311 Ang Q4.OE1 and E31.OE1 other bump:1.41227 Ang Q4.CD and E31.OE1 other bump:2.69003 Ang Q4.CA and E31.OE1 other bump:2.51531 Ang Q4.CB and E31.OE1 other bump:1.0279 Ang Q4.NE2 and E31.OE1 other bump:1.76531 Ang Q4.OE1 and E31.CD other bump:2.99086 Ang C7.SG and E31.CD other bump:1.74978 Ang Q4.CD and E31.CD other bump:2.79338 Ang Q4.CA and E31.CD other bump:2.87971 Ang Q4.CG and E31.CD other bump:0.866068 Ang Q4.OE1 and E31.CG other bump:1.7931 Ang Q4.CD and E31.CG other bump:3.17011 Ang Q4.CA and E31.CG other bump:2.64518 Ang Q4.CG and E31.CG other bump:2.73202 Ang Q4.NE2 and E31.CG other bump:0.778006 Ang Q4.OE1 and E31.CB other bump:1.65918 Ang Q4.CD and E31.CB other bump:2.54032 Ang Q4.CG and E31.CB other bump:2.62362 Ang Q4.NE2 and E31.CB other bump:2.13019 Ang Q4.OE1 and E31.CA other bump:2.96381 Ang Q4.CD and E31.CA neighbor-bump: 2.75622 Ang D29.OD1 and C30.SG other bump:2.68818 Ang T26.CG2 and D29.CB self-bump: 2.20853 Ang T25.CA and T25.OG1 other bump:2.7863 Ang E22.CD and I24.CD1 other bump:2.5161 Ang E22.OE2 and I24.CD1 other bump:3.07835 Ang E22.OE2 and I24.CG1 other bump:2.02791 Ang K17.CE and F19.CZ other bump:1.77945 Ang K17.NZ and F19.CZ other bump:2.49099 Ang K17.CD and F19.CZ other bump:2.96604 Ang K17.CB and F19.CZ other bump:2.34608 Ang K17.CE and F19.CE2 other bump:2.02807 Ang K17.NZ and F19.CE2 other bump:1.78262 Ang A14.O and F19.CE1 other bump:2.66513 Ang A14.C and F19.CE1 other bump:2.92261 Ang K17.CB and F19.CE1 other bump:2.26241 Ang A14.O and F19.CD1 other bump:2.36438 Ang L13.CD1 and E16.OE1 other bump:1.71544 Ang K11.NZ and K15.NZ other bump:3.03519 Ang K11.CE and K15.CE other bump:1.94905 Ang K11.NZ and K15.CE T0187 102 :KKPAALIFGGETVVHVKG 1gajA 220 :IDHLYVMFNGQIIAEGRG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.73748 Ang H16.C and V17.CG2 neighbor-bump: 2.00661 Ang H16.O and V17.CG2 neighbor-bump: 2.90005 Ang H16.CD2 and V17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG Number of specific fragments= 4 total=599 Number of alignments=121 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1gajA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.78216 Ang Y18.CB and I20.CD1 other bump:2.62183 Ang V14.CG2 and Y18.CE1 other bump:2.99255 Ang W2.CE3 and D4.OD2 T0187 31 :AILQETPKHL 1gajA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.78907 Ang E6.OE1 and H10.CB self-bump: 1.39376 Ang P8.N and P8.CD T0187 49 :GNVQKVCDEAKS 1gajA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.39733 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 167 :ALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.91574 Ang N8.O and P40.CD other bump:3.15004 Ang N8.C and P40.CD other bump:2.74223 Ang V34.CG1 and R39.NH2 other bump:2.9822 Ang V34.CG2 and R39.NH2 other bump:2.0895 Ang E10.OE1 and R39.NH1 other bump:2.63489 Ang V34.CG1 and R39.CZ other bump:2.03821 Ang V34.CG1 and R39.NE other bump:3.09394 Ang V34.CG1 and R39.CD other bump:2.87075 Ang E19.CD and I27.CD1 other bump:2.15991 Ang E19.OE1 and I27.CD1 neighbor-bump: 2.75622 Ang D17.OD1 and C18.SG other bump:2.68818 Ang T14.CG2 and D17.CB self-bump: 2.20853 Ang T13.CA and T13.OG1 other bump:2.7863 Ang E10.CD and I12.CD1 other bump:2.5161 Ang E10.OE2 and I12.CD1 other bump:3.07835 Ang E10.OE2 and I12.CG1 other bump:2.02791 Ang K5.CE and F7.CZ other bump:1.77945 Ang K5.NZ and F7.CZ other bump:2.49099 Ang K5.CD and F7.CZ other bump:2.96604 Ang K5.CB and F7.CZ other bump:2.34608 Ang K5.CE and F7.CE2 other bump:2.02807 Ang K5.NZ and F7.CE2 other bump:1.78262 Ang A2.O and F7.CE1 other bump:2.66513 Ang A2.C and F7.CE1 other bump:2.92261 Ang K5.CB and F7.CE1 other bump:2.26241 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1gajA 220 :IDHLYVMFNGQIIAE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.90005 Ang H16.CD2 and G17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1gajA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.23002 Ang I3.CG2 and G4.N self-bump: 1.33711 Ang I3.CA and I3.CB Number of specific fragments= 6 total=605 Number of alignments=122 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1gajA 126 :KEEEMVEKAFKILEFLKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.78216 Ang Y17.CB and I19.CD1 other bump:2.62183 Ang V13.CG2 and Y17.CE1 T0187 30 :RAILQETPKHL 1gajA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.78907 Ang E7.OE1 and H11.CB self-bump: 1.39376 Ang P9.N and P9.CD T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 155 :SGGQMKLVEIGRALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 57 clashes (null) has 57 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:1.91574 Ang N20.O and P52.CD other bump:3.15004 Ang N20.C and P52.CD other bump:2.74223 Ang V46.CG1 and R51.NH2 other bump:2.9822 Ang V46.CG2 and R51.NH2 other bump:2.0895 Ang E22.OE1 and R51.NH1 other bump:2.63489 Ang V46.CG1 and R51.CZ other bump:2.03821 Ang V46.CG1 and R51.NE other bump:3.09394 Ang V46.CG1 and R51.CD other bump:2.93255 Ang K11.NZ and I42.CG2 other bump:2.87075 Ang E31.CD and I39.CD1 other bump:2.15991 Ang E31.OE1 and I39.CD1 other bump:2.52936 Ang Q4.NE2 and I39.CD1 other bump:3.12058 Ang Q4.CB and A35.CB other bump:2.99913 Ang Q4.CG and A35.CB other bump:2.01974 Ang C7.SG and E31.OE2 other bump:2.38957 Ang C7.CB and E31.OE2 other bump:2.27311 Ang Q4.OE1 and E31.OE1 other bump:1.41227 Ang Q4.CD and E31.OE1 other bump:2.69003 Ang Q4.CA and E31.OE1 other bump:2.51531 Ang Q4.CB and E31.OE1 other bump:1.0279 Ang Q4.NE2 and E31.OE1 other bump:1.76531 Ang Q4.OE1 and E31.CD other bump:2.99086 Ang C7.SG and E31.CD other bump:1.74978 Ang Q4.CD and E31.CD other bump:2.79338 Ang Q4.CA and E31.CD other bump:2.87971 Ang Q4.CG and E31.CD other bump:0.866068 Ang Q4.OE1 and E31.CG other bump:1.7931 Ang Q4.CD and E31.CG other bump:3.17011 Ang Q4.CA and E31.CG other bump:2.64518 Ang Q4.CG and E31.CG other bump:2.73202 Ang Q4.NE2 and E31.CG other bump:0.778006 Ang Q4.OE1 and E31.CB other bump:1.65918 Ang Q4.CD and E31.CB other bump:2.54032 Ang Q4.CG and E31.CB other bump:2.62362 Ang Q4.NE2 and E31.CB other bump:2.13019 Ang Q4.OE1 and E31.CA other bump:2.96381 Ang Q4.CD and E31.CA neighbor-bump: 2.75622 Ang D29.OD1 and C30.SG other bump:2.68818 Ang T26.CG2 and D29.CB self-bump: 2.20853 Ang T25.CA and T25.OG1 other bump:2.7863 Ang E22.CD and I24.CD1 other bump:2.5161 Ang E22.OE2 and I24.CD1 other bump:3.07835 Ang E22.OE2 and I24.CG1 other bump:2.02791 Ang K17.CE and F19.CZ other bump:1.77945 Ang K17.NZ and F19.CZ other bump:2.49099 Ang K17.CD and F19.CZ other bump:2.96604 Ang K17.CB and F19.CZ other bump:2.34608 Ang K17.CE and F19.CE2 other bump:2.02807 Ang K17.NZ and F19.CE2 other bump:1.78262 Ang A14.O and F19.CE1 other bump:2.66513 Ang A14.C and F19.CE1 other bump:2.92261 Ang K17.CB and F19.CE1 other bump:2.26241 Ang A14.O and F19.CD1 other bump:2.36438 Ang L13.CD1 and E16.OE1 other bump:1.71544 Ang K11.NZ and K15.NZ other bump:3.03519 Ang K11.CE and K15.CE other bump:1.94905 Ang K11.NZ and K15.CE T0187 102 :KKPAALIFGGETVVHVKG 1gajA 220 :IDHLYVMFNGQIIAEGRG Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues neighbor-bump: 2.73748 Ang H16.C and V17.CG2 neighbor-bump: 2.00661 Ang H16.O and V17.CG2 neighbor-bump: 2.90005 Ang H16.CD2 and V17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG Number of specific fragments= 4 total=609 Number of alignments=123 # Reading fragments from alignment file # T0187 read from T0187-1gajA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1gajA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.78216 Ang Y18.CB and I20.CD1 other bump:2.62183 Ang V14.CG2 and Y18.CE1 other bump:2.99255 Ang W2.CE3 and D4.OD2 T0187 31 :AILQETPKHL 1gajA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.78907 Ang E6.OE1 and H10.CB self-bump: 1.39376 Ang P8.N and P8.CD T0187 49 :GNVQKVCDEAKS 1gajA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.39733 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 167 :ALMTNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 26 clashes (null) has 26 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.91574 Ang N8.O and P40.CD other bump:3.15004 Ang N8.C and P40.CD other bump:2.74223 Ang V34.CG1 and R39.NH2 other bump:2.9822 Ang V34.CG2 and R39.NH2 other bump:2.0895 Ang E10.OE1 and R39.NH1 other bump:2.63489 Ang V34.CG1 and R39.CZ other bump:2.03821 Ang V34.CG1 and R39.NE other bump:3.09394 Ang V34.CG1 and R39.CD other bump:2.87075 Ang E19.CD and I27.CD1 other bump:2.15991 Ang E19.OE1 and I27.CD1 neighbor-bump: 2.75622 Ang D17.OD1 and C18.SG other bump:2.68818 Ang T14.CG2 and D17.CB self-bump: 2.20853 Ang T13.CA and T13.OG1 other bump:2.7863 Ang E10.CD and I12.CD1 other bump:2.5161 Ang E10.OE2 and I12.CD1 other bump:3.07835 Ang E10.OE2 and I12.CG1 other bump:2.02791 Ang K5.CE and F7.CZ other bump:1.77945 Ang K5.NZ and F7.CZ other bump:2.49099 Ang K5.CD and F7.CZ other bump:2.96604 Ang K5.CB and F7.CZ other bump:2.34608 Ang K5.CE and F7.CE2 other bump:2.02807 Ang K5.NZ and F7.CE2 other bump:1.78262 Ang A2.O and F7.CE1 other bump:2.66513 Ang A2.C and F7.CE1 other bump:2.92261 Ang K5.CB and F7.CE1 other bump:2.26241 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1gajA 220 :IDHLYVMFNGQIIAE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.90005 Ang H16.CD2 and G17.N neighbor-bump: 2.32138 Ang V14.O and V15.CG2 neighbor-bump: 2.82474 Ang V14.C and V15.CG2 other bump:2.86707 Ang L7.CD1 and V15.CG2 other bump:2.53892 Ang L7.CD1 and V15.CG1 other bump:3.17912 Ang L7.CB and V15.CB other bump:2.53829 Ang L7.CD1 and V15.CB neighbor-bump: 2.55436 Ang K3.N and P4.CD neighbor-bump: 2.82582 Ang K3.CB and P4.CD neighbor-bump: 2.187 Ang K3.CA and P4.CD neighbor-bump: 1.89527 Ang K3.O and P4.CD neighbor-bump: 1.25838 Ang K3.C and P4.CD neighbor-bump: 1.83334 Ang K3.O and P4.CG neighbor-bump: 2.12579 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1gajA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.23002 Ang I3.CG2 and G4.N self-bump: 1.33711 Ang I3.CA and I3.CB Number of specific fragments= 6 total=615 Number of alignments=124 # Reading fragments from alignment file # T0187 read from T0187-1gajA-local-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-local-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 111 :GETVVHVKGNGIG 1gajA 33 :GDVTLIIGPNGSG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.13734 Ang G10.O and I13.CD1 other bump:2.72593 Ang G10.C and I13.CD1 other bump:1.8821 Ang G10.N and I13.CD1 other bump:2.66896 Ang G10.CA and I13.CD1 other bump:2.86919 Ang K9.CD and I13.CD1 other bump:2.8505 Ang K9.CA and I13.CD1 other bump:2.45909 Ang K9.CB and I13.CD1 other bump:1.67202 Ang K9.CG and I13.CD1 other bump:2.34684 Ang K9.C and I13.CD1 other bump:2.25244 Ang K9.CE and I13.CG2 other bump:2.86959 Ang K9.NZ and I13.CG2 other bump:1.09415 Ang K9.CD and I13.CG2 other bump:2.65933 Ang K9.CB and I13.CG2 other bump:2.0751 Ang K9.CG and I13.CG2 other bump:2.59033 Ang K9.CE and I13.CG1 other bump:2.48177 Ang K9.CD and I13.CG1 other bump:2.13498 Ang K9.CG and I13.CG1 other bump:2.73565 Ang K9.CE and I13.CB other bump:2.1211 Ang K9.CD and I13.CB other bump:3.09555 Ang K9.CB and I13.CB other bump:2.39376 Ang K9.CG and I13.CB Number of specific fragments= 1 total=616 # Reading fragments from alignment file # T0187 read from T0187-1gajA-local-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-local-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 7 :SSTSEDALKVLEKYGIETSES 1gajA 128 :EEMVEKAFKILEFLKLSHLYD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.46361 Ang L9.CD1 and E21.OE1 other bump:2.78216 Ang Y15.CB and I17.CD1 other bump:2.62183 Ang V11.CG2 and Y15.CE1 T0187 42 :NVEIHLIGNVQKVCDEAKSLA 1gajA 149 :RKAGELSGGQMKLVEIGRALM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.15875 Ang L7.CD1 and V11.CG1 other bump:2.82652 Ang I8.CG2 and V11.N other bump:2.55791 Ang N2.OD1 and L7.CD2 other bump:2.62978 Ang V3.CG2 and H6.CD2 T0187 65 :KGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 170 :TNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.91574 Ang N5.O and P37.CD other bump:3.15004 Ang N5.C and P37.CD other bump:2.74223 Ang V31.CG1 and R36.NH2 other bump:2.9822 Ang V31.CG2 and R36.NH2 other bump:2.0895 Ang E7.OE1 and R36.NH1 other bump:2.63489 Ang V31.CG1 and R36.CZ other bump:2.03821 Ang V31.CG1 and R36.NE other bump:3.09394 Ang V31.CG1 and R36.CD other bump:2.87075 Ang E16.CD and I24.CD1 other bump:2.15991 Ang E16.OE1 and I24.CD1 neighbor-bump: 2.75622 Ang D14.OD1 and C15.SG other bump:2.68818 Ang T11.CG2 and D14.CB self-bump: 2.20853 Ang T10.CA and T10.OG1 other bump:2.7863 Ang E7.CD and I9.CD1 other bump:2.5161 Ang E7.OE2 and I9.CD1 other bump:3.07835 Ang E7.OE2 and I9.CG1 other bump:2.02791 Ang K2.CE and F4.CZ other bump:1.77945 Ang K2.NZ and F4.CZ other bump:2.49099 Ang K2.CD and F4.CZ other bump:2.96604 Ang K2.CB and F4.CZ other bump:2.3461 Ang K2.CE and F4.CE2 other bump:2.02808 Ang K2.NZ and F4.CE2 other bump:2.92261 Ang K2.CB and F4.CE1 Number of specific fragments= 3 total=619 Number of alignments=125 # Reading fragments from alignment file # T0187 read from T0187-1gajA-simpleSW-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 81 :REAGRFIASIMKEVKFKDRPLKKPAALIF 1gajA 149 :RKAGELSGGQMKLVEIGRALMTNPKMIVM Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.94168 Ang R20.NH1 and F30.CZ other bump:2.78329 Ang R20.CD and F30.CE2 other bump:2.84192 Ang R20.CZ and F30.CE2 other bump:1.90308 Ang R20.NH1 and F30.CE2 other bump:2.6008 Ang L28.CB and F30.CE1 other bump:2.64913 Ang R20.CZ and F30.CD2 other bump:1.41012 Ang R20.NH1 and F30.CD2 other bump:2.98525 Ang P25.CG and L28.CD2 other bump:1.63995 Ang F17.O and P21.CD neighbor-bump: 2.56765 Ang R20.N and P21.CD other bump:2.81765 Ang F17.C and P21.CD other bump:2.97946 Ang K18.C and P21.CD self-bump: 1.37404 Ang P21.N and P21.CD other bump:2.13809 Ang F17.O and P21.CG other bump:3.105 Ang F17.C and P21.CG other bump:2.35439 Ang E14.OE1 and K18.NZ other bump:2.63941 Ang E14.CD and K18.CE other bump:2.46037 Ang E14.OE1 and K18.CE other bump:2.99408 Ang F7.CD2 and I11.CG2 other bump:2.73441 Ang I8.CG2 and I11.CG1 other bump:2.82653 Ang I8.CG2 and I11.N other bump:3.09104 Ang E3.C and F7.CE1 other bump:2.82062 Ang A4.N and F7.CE1 other bump:2.40871 Ang A4.CA and F7.CE1 other bump:2.42616 Ang A4.O and F7.CD1 other bump:2.72348 Ang A4.C and F7.CD1 other bump:2.49748 Ang A4.CA and F7.CD1 Number of specific fragments= 1 total=620 Number of alignments=126 # Reading fragments from alignment file # T0187 read from T0187-1gajA-simpleSW-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1gajA in template set Number of specific fragments= 0 total=620 # Reading fragments from alignment file # T0187 read from T0187-1gajA-vit-adpstyle1.pw.a2m.gz # 1gajA read from T0187-1gajA-vit-adpstyle1.pw.a2m.gz # found chain 1gajA in template set T0187 111 :GETVVHVKGNGIG 1gajA 33 :GDVTLIIGPNGSG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.13734 Ang G10.O and I13.CD1 other bump:2.72593 Ang G10.C and I13.CD1 other bump:1.8821 Ang G10.N and I13.CD1 other bump:2.66896 Ang G10.CA and I13.CD1 other bump:2.86919 Ang K9.CD and I13.CD1 other bump:2.8505 Ang K9.CA and I13.CD1 other bump:2.45909 Ang K9.CB and I13.CD1 other bump:1.67202 Ang K9.CG and I13.CD1 other bump:2.34684 Ang K9.C and I13.CD1 other bump:2.25244 Ang K9.CE and I13.CG2 other bump:2.86959 Ang K9.NZ and I13.CG2 other bump:1.09415 Ang K9.CD and I13.CG2 other bump:2.65933 Ang K9.CB and I13.CG2 other bump:2.0751 Ang K9.CG and I13.CG2 other bump:2.59033 Ang K9.CE and I13.CG1 other bump:2.48177 Ang K9.CD and I13.CG1 other bump:2.13498 Ang K9.CG and I13.CG1 other bump:2.73565 Ang K9.CE and I13.CB other bump:2.1211 Ang K9.CD and I13.CB other bump:3.09555 Ang K9.CB and I13.CB other bump:2.39376 Ang K9.CG and I13.CB Number of specific fragments= 1 total=621 # Reading fragments from alignment file # T0187 read from T0187-1gajA-vit-adpstyle5.pw.a2m.gz # 1gajA read from T0187-1gajA-vit-adpstyle5.pw.a2m.gz # found chain 1gajA in template set T0187 7 :SSTSEDALKVLEKYGIETSES 1gajA 128 :EEMVEKAFKILEFLKLSHLYD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.46361 Ang L9.CD1 and E21.OE1 other bump:2.78216 Ang Y15.CB and I17.CD1 other bump:2.62183 Ang V11.CG2 and Y15.CE1 T0187 42 :NVEIHLIGNVQKVCDEAKSLA 1gajA 149 :RKAGELSGGQMKLVEIGRALM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.15875 Ang L7.CD1 and V11.CG1 other bump:2.82652 Ang I8.CG2 and V11.N other bump:2.55791 Ang N2.OD1 and L7.CD2 other bump:2.62978 Ang V3.CG2 and H6.CD2 T0187 65 :KGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1gajA 170 :TNPKMIVMDQPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:1.91574 Ang N5.O and P37.CD other bump:3.15004 Ang N5.C and P37.CD other bump:2.74223 Ang V31.CG1 and R36.NH2 other bump:2.9822 Ang V31.CG2 and R36.NH2 other bump:2.0895 Ang E7.OE1 and R36.NH1 other bump:2.63489 Ang V31.CG1 and R36.CZ other bump:2.03821 Ang V31.CG1 and R36.NE other bump:3.09394 Ang V31.CG1 and R36.CD other bump:2.87075 Ang E16.CD and I24.CD1 other bump:2.15991 Ang E16.OE1 and I24.CD1 neighbor-bump: 2.75622 Ang D14.OD1 and C15.SG other bump:2.68818 Ang T11.CG2 and D14.CB self-bump: 2.20853 Ang T10.CA and T10.OG1 other bump:2.7863 Ang E7.CD and I9.CD1 other bump:2.5161 Ang E7.OE2 and I9.CD1 other bump:3.07835 Ang E7.OE2 and I9.CG1 other bump:2.02791 Ang K2.CE and F4.CZ other bump:1.77945 Ang K2.NZ and F4.CZ other bump:2.49099 Ang K2.CD and F4.CZ other bump:2.96604 Ang K2.CB and F4.CZ other bump:2.3461 Ang K2.CE and F4.CE2 other bump:2.02808 Ang K2.NZ and F4.CE2 other bump:2.92261 Ang K2.CB and F4.CE1 Number of specific fragments= 3 total=624 Number of alignments=127 # Prefix for input files set to 1g6hA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1g6hA-T0187-local-adpstyle1.pw.a2m.gz # 1g6hA read from 1g6hA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 78 :CEAREAGRFIASIMKEVKFKD 1g6hA 125 :PKEEEMVEKAFKILEFLKLSH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.29494 Ang V18.O and F20.CE1 other bump:3.15448 Ang V18.C and F20.CE1 other bump:2.11479 Ang V18.CG1 and F20.CE1 other bump:2.3597 Ang V18.O and F20.CD1 other bump:2.73809 Ang V18.CB and F20.CD1 other bump:1.61907 Ang V18.CG1 and F20.CD1 other bump:2.82602 Ang V18.CG1 and F20.CG other bump:2.52525 Ang F10.CE1 and I14.CD1 T0187 100 :PLKKPAALIFGGE 1g6hA 146 :LYDRKAGELSGGQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.683 Ang I10.CD1 and G15.N other bump:2.40829 Ang I10.CD1 and E14.C other bump:2.71938 Ang I10.CD1 and E14.O other bump:2.33843 Ang I10.CG1 and E14.CB other bump:2.449 Ang I10.CD1 and E14.CB other bump:2.957 Ang I10.CD1 and E14.CA other bump:2.70475 Ang F11.CD2 and G13.N other bump:2.55826 Ang A7.O and I10.CG2 self-bump: 2.24384 Ang P2.CA and P2.CD Number of specific fragments= 2 total=626 Number of alignments=128 # Reading fragments from alignment file # T0187 read from 1g6hA-T0187-local-adpstyle5.pw.a2m.gz # 1g6hA read from 1g6hA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKD 1g6hA 115 :LNSLFYKKWIPKEEEMVEKAFKILEFLKLSH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.29494 Ang V28.O and F30.CE1 other bump:2.11479 Ang V28.CG1 and F30.CE1 other bump:3.15448 Ang V28.C and F30.CE1 other bump:2.3597 Ang V28.O and F30.CD1 other bump:1.61907 Ang V28.CG1 and F30.CD1 other bump:2.73809 Ang V28.CB and F30.CD1 other bump:2.82602 Ang V28.CG1 and F30.CG other bump:2.52525 Ang F20.CE1 and I24.CD1 self-bump: 1.30565 Ang S9.CA and S9.CB T0187 100 :PLKKPAA 1g6hA 146 :LYDRKAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 2.24384 Ang P2.CA and P2.CD Number of specific fragments= 2 total=628 Number of alignments=129 # Reading fragments from alignment file # T0187 read from 1g6hA-T0187-vit-adpstyle1.pw.a2m.gz # 1g6hA read from 1g6hA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 78 :CEAREAGRFIASIMKEVKFKD 1g6hA 125 :PKEEEMVEKAFKILEFLKLSH Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.29494 Ang V18.O and F20.CE1 other bump:3.15448 Ang V18.C and F20.CE1 other bump:2.11479 Ang V18.CG1 and F20.CE1 other bump:2.3597 Ang V18.O and F20.CD1 other bump:2.73809 Ang V18.CB and F20.CD1 other bump:1.61907 Ang V18.CG1 and F20.CD1 other bump:2.82602 Ang V18.CG1 and F20.CG other bump:2.52525 Ang F10.CE1 and I14.CD1 T0187 100 :PLKKPAALIFGGE 1g6hA 146 :LYDRKAGELSGGQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.683 Ang I10.CD1 and G15.N other bump:2.40829 Ang I10.CD1 and E14.C other bump:2.71938 Ang I10.CD1 and E14.O other bump:2.33843 Ang I10.CG1 and E14.CB other bump:2.449 Ang I10.CD1 and E14.CB other bump:2.957 Ang I10.CD1 and E14.CA other bump:2.70475 Ang F11.CD2 and G13.N other bump:2.55826 Ang A7.O and I10.CG2 self-bump: 2.24384 Ang P2.CA and P2.CD Number of specific fragments= 2 total=630 Number of alignments=130 # Reading fragments from alignment file # T0187 read from 1g6hA-T0187-vit-adpstyle5.pw.a2m.gz # 1g6hA read from 1g6hA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKD 1g6hA 115 :LNSLFYKKWIPKEEEMVEKAFKILEFLKLSH Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:2.29494 Ang V28.O and F30.CE1 other bump:2.11479 Ang V28.CG1 and F30.CE1 other bump:3.15448 Ang V28.C and F30.CE1 other bump:2.3597 Ang V28.O and F30.CD1 other bump:1.61907 Ang V28.CG1 and F30.CD1 other bump:2.73809 Ang V28.CB and F30.CD1 other bump:2.82602 Ang V28.CG1 and F30.CG other bump:2.52525 Ang F20.CE1 and I24.CD1 self-bump: 1.30565 Ang S9.CA and S9.CB T0187 100 :PLKKPAA 1g6hA 146 :LYDRKAG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 2.24384 Ang P2.CA and P2.CD Number of specific fragments= 2 total=632 Number of alignments=131 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1g6hA 39 :IGPNGSGKSTLINVITGFLKADEGRVYFE Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.36969 Ang K16.CA and R27.NH2 other bump:1.93506 Ang K16.C and R27.NH2 other bump:1.28135 Ang K16.O and R27.NH2 other bump:2.77294 Ang K16.C and R27.NH1 other bump:2.17584 Ang K16.CA and R27.CZ other bump:2.27238 Ang K16.C and R27.CZ other bump:1.82871 Ang K16.O and R27.CZ other bump:2.189 Ang K16.CA and R27.NE other bump:2.77801 Ang K16.CB and R27.NE other bump:2.88779 Ang K16.CG and R27.NE other bump:3.18229 Ang K16.N and R27.NE other bump:3.12728 Ang K16.CA and R27.CD neighbor-bump: 2.4363 Ang S24.C and V25.CG2 neighbor-bump: 1.53572 Ang S24.O and V25.CG2 neighbor-bump: 2.53388 Ang S24.C and V25.CB neighbor-bump: 2.03236 Ang S24.O and V25.CB other bump:2.93373 Ang E15.CD and S22.OG other bump:1.96948 Ang E15.OE2 and S22.OG other bump:2.69069 Ang E15.CD and S22.CB other bump:1.72123 Ang E15.OE2 and S22.CB other bump:3.21835 Ang E15.CD and S22.CA other bump:2.74431 Ang E15.OE2 and S22.CA other bump:3.03027 Ang K12.CE and K16.NZ other bump:1.89353 Ang K12.NZ and K16.NZ neighbor-bump: 2.15359 Ang S5.O and T6.CB neighbor-bump: 2.44022 Ang S5.C and T6.CB self-bump: 2.14655 Ang S5.CB and S5.C self-bump: 1.24092 Ang S5.CA and S5.CB neighbor-bump: 2.08457 Ang G1.C and P2.CD T0187 34 :QETPKHLSNVEIHLIGNVQKVCDEAKSLA 1g6hA 140 :FLKLSHLYDRKAGELSGGQMKLVEIGRAL Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.4694 Ang I13.CG2 and K21.NZ other bump:2.94937 Ang I13.CG2 and K21.CD other bump:2.86041 Ang I16.CG2 and K21.N other bump:3.14632 Ang I16.CG2 and Q20.C other bump:2.61402 Ang I16.CG2 and Q20.CB self-bump: 1.37469 Ang N18.CA and N18.CB neighbor-bump: 2.62726 Ang I16.CG2 and G17.O neighbor-bump: 2.0727 Ang T4.CA and P5.CD neighbor-bump: 1.66841 Ang T4.C and P5.CD other bump:3.04057 Ang E3.CA and P5.CD other bump:2.15793 Ang E3.O and P5.CD other bump:1.92242 Ang E3.C and P5.CD neighbor-bump: 1.82778 Ang T4.N and P5.CD self-bump: 1.30052 Ang P5.N and P5.CD neighbor-bump: 2.79517 Ang T4.C and P5.CG other bump:2.85179 Ang E3.CB and P5.CG other bump:2.32796 Ang E3.O and P5.CG other bump:2.55761 Ang E3.C and P5.CG neighbor-bump: 3.10725 Ang T4.N and P5.CG self-bump: 2.15167 Ang P5.N and P5.CG T0187 64 :EKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 169 :MTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.90399 Ang M29.CE and L39.CD2 other bump:1.93211 Ang M29.CE and L39.CD1 other bump:2.58804 Ang M29.CE and L39.CG other bump:1.90928 Ang N6.O and P38.CD other bump:3.14351 Ang N6.C and P38.CD other bump:2.56466 Ang V32.CG2 and R37.NH2 other bump:2.55172 Ang V32.CB and R37.NH2 other bump:2.4383 Ang V32.CG1 and R37.NH2 other bump:2.06095 Ang E8.OE1 and R37.NH1 other bump:2.30109 Ang V32.CG1 and R37.CZ other bump:1.77316 Ang V32.CG1 and R37.NE other bump:2.91713 Ang V32.CG1 and R37.CD neighbor-bump: 2.70788 Ang D15.OD1 and C16.SG other bump:2.78036 Ang I10.CG2 and S13.CB self-bump: 2.21527 Ang T11.CA and T11.OG1 other bump:2.25093 Ang K3.CD and F5.CZ other bump:1.9808 Ang K3.CE and F5.CZ other bump:1.99866 Ang K3.NZ and F5.CZ other bump:2.60914 Ang K3.CB and F5.CZ other bump:2.87071 Ang K3.CG and F5.CZ other bump:3.11767 Ang K3.CD and F5.CE2 other bump:2.08125 Ang K3.CE and F5.CE2 other bump:1.93981 Ang K3.NZ and F5.CE2 other bump:2.7684 Ang K3.CB and F5.CE1 T0187 102 :KKPAALIFGG 1g6hA 220 :IDHLYVMFNG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALEGIEG 1g6hA 230 :QIIAEGRGEEEIKNVLSDPKVVEIYIG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.88812 Ang L23.CA and I26.CG2 other bump:2.07008 Ang L23.O and I26.CG2 other bump:2.75449 Ang L23.C and I26.CG2 neighbor-bump: 2.73503 Ang I8.CG2 and G9.N self-bump: 1.32985 Ang I8.CA and I8.CB Number of specific fragments= 5 total=637 Number of alignments=132 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 31 :AIL 1g6hA 7 :ILR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 38 :KHLSNVEIHLIGNV 1g6hA 15 :KYFGEFKALDGVSI Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues neighbor-bump: 2.6438 Ang L11.C and I12.CB other bump:2.04 Ang E8.CG and L11.CD2 other bump:1.03747 Ang E8.CD and L11.CD2 other bump:0.496334 Ang E8.OE1 and L11.CD2 other bump:2.14955 Ang E8.OE2 and L11.CD2 other bump:2.94602 Ang E8.CD and L11.CD1 other bump:2.25489 Ang E8.CG and L11.CG other bump:2.22684 Ang E8.CD and L11.CG other bump:1.91968 Ang E8.OE1 and L11.CG other bump:2.65274 Ang E8.OE1 and L11.CB neighbor-bump: 3.25778 Ang I9.CG1 and H10.ND1 other bump:2.43016 Ang L4.CD2 and I9.CG2 neighbor-bump: 2.19981 Ang V7.C and E8.CA neighbor-bump: 1.12427 Ang V7.C and E8.N T0187 65 :KGFNAEIITTSLDCEAREA 1g6hA 32 :KGDVTLIIGPNGSGKSTLI Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.69237 Ang I9.CA and E16.OE2 other bump:2.41352 Ang I9.O and E16.OE2 other bump:2.15407 Ang I9.C and E16.OE2 other bump:2.72678 Ang T10.CB and E16.OE2 other bump:2.17831 Ang T10.CG2 and E16.OE2 other bump:2.72247 Ang T10.CG2 and E16.CD other bump:2.90025 Ang T10.CG2 and E16.CG other bump:1.06782 Ang T10.OG1 and D14.OD2 other bump:2.62242 Ang T10.CA and D14.OD2 other bump:1.27468 Ang T10.CB and D14.OD2 other bump:1.44301 Ang T10.CG2 and D14.OD2 other bump:2.07949 Ang T10.CG2 and D14.OD1 other bump:2.12205 Ang T10.OG1 and D14.CG other bump:2.47803 Ang T10.CB and D14.CG other bump:1.93153 Ang T10.CG2 and D14.CG other bump:2.69646 Ang T10.OG1 and D14.CB neighbor-bump: 2.1833 Ang S12.O and L13.CB neighbor-bump: 2.47494 Ang S12.C and L13.CB self-bump: 2.14655 Ang S12.CB and S12.C self-bump: 1.24092 Ang S12.CA and S12.CB T0187 93 :EVKFKDRP 1g6hA 51 :NVITGFLK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.34627 Ang G1.O and F5.CD1 T0187 102 :KKPAALIFGG 1g6hA 220 :IDHLYVMFNG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALEGIE 1g6hA 230 :QIIAEGRGEEEIKNVLSDPKVVEIYI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.88812 Ang L23.CA and I26.CG2 other bump:2.75449 Ang L23.C and I26.CG2 other bump:2.07008 Ang L23.O and I26.CG2 neighbor-bump: 2.73503 Ang I8.CG2 and G9.N self-bump: 1.32985 Ang I8.CA and I8.CB Number of specific fragments= 6 total=643 Number of alignments=133 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1g6hA 126 :KEEEMVEKAFKILEFLKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91609 Ang Y17.CB and I19.CD1 T0187 30 :RAILQETPKHL 1g6hA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.70939 Ang T8.OG1 and H11.CD2 other bump:2.40193 Ang E7.OE1 and H11.CB T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 155 :SGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.90399 Ang M43.CE and L53.CD2 other bump:1.93211 Ang M43.CE and L53.CD1 other bump:2.58804 Ang M43.CE and L53.CG other bump:1.90928 Ang N20.O and P52.CD other bump:3.14351 Ang N20.C and P52.CD other bump:2.56466 Ang V46.CG2 and R51.NH2 other bump:2.55172 Ang V46.CB and R51.NH2 other bump:2.4383 Ang V46.CG1 and R51.NH2 other bump:2.06095 Ang E22.OE1 and R51.NH1 other bump:2.30109 Ang V46.CG1 and R51.CZ other bump:1.77316 Ang V46.CG1 and R51.NE other bump:2.91713 Ang V46.CG1 and R51.CD other bump:2.69741 Ang K11.CE and M43.SD other bump:1.5727 Ang K11.NZ and M43.SD other bump:2.50291 Ang D8.OD2 and F38.CZ other bump:1.99918 Ang D8.OD2 and F38.CE1 other bump:2.80783 Ang D8.CG and F38.CE1 other bump:2.72295 Ang Q4.CD and A35.CB other bump:1.97124 Ang Q4.NE2 and A35.CB other bump:2.15129 Ang Q4.NE2 and A35.CA neighbor-bump: 2.70788 Ang D29.OD1 and C30.SG other bump:2.78036 Ang I24.CG2 and S27.CB self-bump: 2.21527 Ang T25.CA and T25.OG1 other bump:1.98082 Ang K17.CE and F19.CZ other bump:1.99869 Ang K17.NZ and F19.CZ other bump:2.25095 Ang K17.CD and F19.CZ other bump:2.60916 Ang K17.CB and F19.CZ other bump:2.87073 Ang K17.CG and F19.CZ other bump:2.08128 Ang K17.CE and F19.CE2 other bump:1.93983 Ang K17.NZ and F19.CE2 other bump:3.11769 Ang K17.CD and F19.CE2 other bump:1.38585 Ang A14.O and F19.CE1 other bump:2.44591 Ang A14.C and F19.CE1 other bump:3.08779 Ang A14.CA and F19.CE1 other bump:2.76841 Ang K17.CB and F19.CE1 other bump:1.92378 Ang A14.O and F19.CD1 T0187 102 :KKPAALIFGG 1g6hA 220 :IDHLYVMFNG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALS 1g6hA 230 :QIIAEGRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 2.73503 Ang I8.CG2 and G9.N self-bump: 1.32985 Ang I8.CA and I8.CB Number of specific fragments= 5 total=648 Number of alignments=134 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1g6hA 126 :KEEEMVEKAFKILEFLKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91609 Ang Y17.CB and I19.CD1 T0187 30 :RAILQETPKHLS 1g6hA 144 :SHLYDRKAGELS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.70939 Ang T8.OG1 and H11.CD2 other bump:2.40193 Ang E7.OE1 and H11.CB T0187 50 :NVQKVCDEAKSLA 1g6hA 156 :GGQMKLVEIGRAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 64 :EKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 169 :MTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.90399 Ang M29.CE and L39.CD2 other bump:1.93211 Ang M29.CE and L39.CD1 other bump:2.58804 Ang M29.CE and L39.CG other bump:1.90928 Ang N6.O and P38.CD other bump:3.14351 Ang N6.C and P38.CD other bump:2.56466 Ang V32.CG2 and R37.NH2 other bump:2.55172 Ang V32.CB and R37.NH2 other bump:2.4383 Ang V32.CG1 and R37.NH2 other bump:2.06095 Ang E8.OE1 and R37.NH1 other bump:2.30109 Ang V32.CG1 and R37.CZ other bump:1.77316 Ang V32.CG1 and R37.NE other bump:2.91713 Ang V32.CG1 and R37.CD neighbor-bump: 2.70788 Ang D15.OD1 and C16.SG other bump:2.78036 Ang I10.CG2 and S13.CB self-bump: 2.21527 Ang T11.CA and T11.OG1 other bump:2.25093 Ang K3.CD and F5.CZ other bump:1.9808 Ang K3.CE and F5.CZ other bump:1.99866 Ang K3.NZ and F5.CZ other bump:2.60914 Ang K3.CB and F5.CZ other bump:2.87071 Ang K3.CG and F5.CZ other bump:3.11767 Ang K3.CD and F5.CE2 other bump:2.08125 Ang K3.CE and F5.CE2 other bump:1.93981 Ang K3.NZ and F5.CE2 other bump:2.7684 Ang K3.CB and F5.CE1 T0187 102 :KKPAALIFGGE 1g6hA 220 :IDHLYVMFNGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 117 :VKGNGIGGRNQELALS 1g6hA 231 :IIAEGRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.73503 Ang I7.CG2 and G8.N self-bump: 1.32985 Ang I7.CA and I7.CB Number of specific fragments= 6 total=654 Number of alignments=135 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1g6hA 39 :IGPNGSGKSTLINVITGFLKADEGRVYFE Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.36969 Ang K16.CA and R27.NH2 other bump:1.93506 Ang K16.C and R27.NH2 other bump:1.28135 Ang K16.O and R27.NH2 other bump:2.77294 Ang K16.C and R27.NH1 other bump:2.17584 Ang K16.CA and R27.CZ other bump:2.27238 Ang K16.C and R27.CZ other bump:1.82871 Ang K16.O and R27.CZ other bump:2.189 Ang K16.CA and R27.NE other bump:2.77801 Ang K16.CB and R27.NE other bump:2.88779 Ang K16.CG and R27.NE other bump:3.18229 Ang K16.N and R27.NE other bump:3.12728 Ang K16.CA and R27.CD neighbor-bump: 2.4363 Ang S24.C and V25.CG2 neighbor-bump: 1.53572 Ang S24.O and V25.CG2 neighbor-bump: 2.53388 Ang S24.C and V25.CB neighbor-bump: 2.03236 Ang S24.O and V25.CB other bump:2.93373 Ang E15.CD and S22.OG other bump:1.96948 Ang E15.OE2 and S22.OG other bump:2.69069 Ang E15.CD and S22.CB other bump:1.72123 Ang E15.OE2 and S22.CB other bump:3.21835 Ang E15.CD and S22.CA other bump:2.74431 Ang E15.OE2 and S22.CA other bump:3.03027 Ang K12.CE and K16.NZ other bump:1.89353 Ang K12.NZ and K16.NZ neighbor-bump: 2.15359 Ang S5.O and T6.CB neighbor-bump: 2.44022 Ang S5.C and T6.CB self-bump: 2.14655 Ang S5.CB and S5.C self-bump: 1.24092 Ang S5.CA and S5.CB neighbor-bump: 2.08457 Ang G1.C and P2.CD T0187 34 :QETPKHLSNVEIHLIGNVQKVCDEAKSLA 1g6hA 141 :LKLSHLYDRKAGELSGGQMKLVEIGRALM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:3.05654 Ang Q2.CD and A26.CB other bump:2.88944 Ang Q2.OE1 and A26.CB other bump:2.50728 Ang Q2.NE2 and A26.CB other bump:2.62054 Ang Q2.NE2 and A26.CA other bump:3.15247 Ang Q2.CD and V22.CG1 other bump:2.84009 Ang I16.CG2 and V19.N other bump:2.60487 Ang N10.OD1 and L15.CD2 other bump:2.57001 Ang V11.CG2 and H14.CD2 other bump:3.11569 Ang V11.CG2 and H14.CG other bump:2.85334 Ang E3.C and P5.CD neighbor-bump: 2.41166 Ang T4.N and P5.CD T0187 65 :KGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 170 :TNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.90399 Ang M28.CE and L38.CD2 other bump:1.93211 Ang M28.CE and L38.CD1 other bump:2.58804 Ang M28.CE and L38.CG other bump:1.90928 Ang N5.O and P37.CD other bump:3.14351 Ang N5.C and P37.CD other bump:2.56466 Ang V31.CG2 and R36.NH2 other bump:2.55172 Ang V31.CB and R36.NH2 other bump:2.4383 Ang V31.CG1 and R36.NH2 other bump:2.06095 Ang E7.OE1 and R36.NH1 other bump:2.30109 Ang V31.CG1 and R36.CZ other bump:1.77316 Ang V31.CG1 and R36.NE other bump:2.91713 Ang V31.CG1 and R36.CD neighbor-bump: 2.70788 Ang D14.OD1 and C15.SG other bump:2.78036 Ang I9.CG2 and S12.CB self-bump: 2.21527 Ang T10.CA and T10.OG1 other bump:2.25094 Ang K2.CD and F4.CZ other bump:1.9808 Ang K2.CE and F4.CZ other bump:1.99867 Ang K2.NZ and F4.CZ other bump:2.60915 Ang K2.CB and F4.CZ other bump:2.87071 Ang K2.CG and F4.CZ other bump:3.11768 Ang K2.CD and F4.CE2 other bump:2.08126 Ang K2.CE and F4.CE2 other bump:1.93982 Ang K2.NZ and F4.CE2 other bump:2.7684 Ang K2.CB and F4.CE1 T0187 102 :KKPAALIFGG 1g6hA 220 :IDHLYVMFNG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALEGI 1g6hA 230 :QIIAEGRGEEEIKNVLSDPKVVEIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues neighbor-bump: 2.73503 Ang I8.CG2 and G9.N self-bump: 1.32985 Ang I8.CA and I8.CB T0187 148 :AG 1g6hA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=660 Number of alignments=136 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 66 :GFNAEIITTSLDCEAREAGRF 1g6hA 33 :GDVTLIIGPNGSGKSTLINVI Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.77767 Ang E18.OE2 and F22.CZ other bump:2.61238 Ang E18.CG and F22.CZ other bump:2.5804 Ang E18.CG and F22.CE1 other bump:2.69237 Ang I8.CA and E15.OE2 other bump:2.41352 Ang I8.O and E15.OE2 other bump:2.15407 Ang I8.C and E15.OE2 other bump:2.72678 Ang T9.CB and E15.OE2 other bump:2.17831 Ang T9.CG2 and E15.OE2 other bump:2.72247 Ang T9.CG2 and E15.CD other bump:2.90025 Ang T9.CG2 and E15.CG other bump:2.62242 Ang T9.CA and D13.OD2 other bump:1.27468 Ang T9.CB and D13.OD2 other bump:1.44301 Ang T9.CG2 and D13.OD2 other bump:1.06782 Ang T9.OG1 and D13.OD2 other bump:2.07949 Ang T9.CG2 and D13.OD1 other bump:2.47803 Ang T9.CB and D13.CG other bump:1.93153 Ang T9.CG2 and D13.CG other bump:2.12205 Ang T9.OG1 and D13.CG other bump:2.69646 Ang T9.OG1 and D13.CB neighbor-bump: 2.1833 Ang S11.O and L12.CB neighbor-bump: 2.47494 Ang S11.C and L12.CB self-bump: 2.14655 Ang S11.CB and S11.C self-bump: 1.24092 Ang S11.CA and S11.CB T0187 92 :K 1g6hA 54 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 95 :KF 1g6hA 55 :GF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 103 :KPAALIFGGE 1g6hA 221 :DHLYVMFNGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36916 Ang K2.CA and P3.CD neighbor-bump: 2.2509 Ang K2.CB and P3.CD neighbor-bump: 1.83008 Ang K2.C and P3.CD neighbor-bump: 2.60992 Ang K2.C and P3.CG T0187 117 :VKGNGIGGRNQELALSAAIALEGI 1g6hA 231 :IIAEGRGEEEIKNVLSDPKVVEIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues neighbor-bump: 2.73503 Ang I7.CG2 and G8.N self-bump: 1.32985 Ang I7.CA and I7.CB T0187 148 :AG 1g6hA 255 :IG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 6 total=666 Number of alignments=137 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 49 :GNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 154 :LSGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 55 residues other bump:2.90399 Ang M44.CE and L54.CD2 other bump:1.93211 Ang M44.CE and L54.CD1 other bump:2.58804 Ang M44.CE and L54.CG other bump:1.90928 Ang N21.O and P53.CD other bump:3.14351 Ang N21.C and P53.CD other bump:2.56466 Ang V47.CG2 and R52.NH2 other bump:2.55172 Ang V47.CB and R52.NH2 other bump:2.4383 Ang V47.CG1 and R52.NH2 other bump:2.06095 Ang E23.OE1 and R52.NH1 other bump:2.30109 Ang V47.CG1 and R52.CZ other bump:1.77316 Ang V47.CG1 and R52.NE other bump:2.91713 Ang V47.CG1 and R52.CD other bump:2.69741 Ang K12.CE and M44.SD other bump:1.5727 Ang K12.NZ and M44.SD other bump:2.50291 Ang D9.OD2 and F39.CZ other bump:1.99918 Ang D9.OD2 and F39.CE1 other bump:2.80783 Ang D9.CG and F39.CE1 other bump:2.72295 Ang Q5.CD and A36.CB other bump:1.97124 Ang Q5.NE2 and A36.CB other bump:2.15129 Ang Q5.NE2 and A36.CA neighbor-bump: 2.70788 Ang D30.OD1 and C31.SG other bump:2.78036 Ang I25.CG2 and S28.CB self-bump: 2.21527 Ang T26.CA and T26.OG1 other bump:2.25095 Ang K18.CD and F20.CZ other bump:1.98082 Ang K18.CE and F20.CZ other bump:1.99869 Ang K18.NZ and F20.CZ other bump:2.60916 Ang K18.CB and F20.CZ other bump:2.87073 Ang K18.CG and F20.CZ other bump:3.11769 Ang K18.CD and F20.CE2 other bump:2.08128 Ang K18.CE and F20.CE2 other bump:1.93983 Ang K18.NZ and F20.CE2 other bump:3.08779 Ang A15.CA and F20.CE1 other bump:1.38585 Ang A15.O and F20.CE1 other bump:2.44591 Ang A15.C and F20.CE1 other bump:2.76841 Ang K18.CB and F20.CE1 other bump:1.92378 Ang A15.O and F20.CD1 T0187 102 :KKPAALIFGG 1g6hA 220 :IDHLYVMFNG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 116 :HVKGNGIGGRNQELALSAAIALE 1g6hA 230 :QIIAEGRGEEEIKNVLSDPKVVE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues neighbor-bump: 2.73503 Ang I8.CG2 and G9.N self-bump: 1.32985 Ang I8.CA and I8.CB Number of specific fragments= 3 total=669 Number of alignments=138 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 10 :SEDALKVLEKYGIE 1g6hA 131 :VEKAFKILEFLKLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.96667 Ang L9.CD2 and I14.CD1 other bump:2.99226 Ang L9.CD2 and I14.CG1 T0187 31 :AILQETPKH 1g6hA 145 :HLYDRKAGE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.56261 Ang T7.OG1 and H10.CD2 other bump:2.64763 Ang E6.OE1 and H10.CB T0187 48 :IGNVQKVCDEAKSLA 1g6hA 154 :LSGGQMKLVEIGRAL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.683 Ang I2.CD1 and K7.N other bump:2.40829 Ang I2.CD1 and Q6.C other bump:2.71938 Ang I2.CD1 and Q6.O other bump:2.39036 Ang I2.CG1 and Q6.CB other bump:2.47448 Ang I2.CD1 and Q6.CB other bump:2.95701 Ang I2.CD1 and Q6.CA self-bump: 1.37469 Ang N4.CA and N4.CB T0187 64 :EKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 169 :MTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.90399 Ang M29.CE and L39.CD2 other bump:1.93211 Ang M29.CE and L39.CD1 other bump:2.58804 Ang M29.CE and L39.CG other bump:1.90928 Ang N6.O and P38.CD other bump:3.14351 Ang N6.C and P38.CD other bump:2.56466 Ang V32.CG2 and R37.NH2 other bump:2.55172 Ang V32.CB and R37.NH2 other bump:2.4383 Ang V32.CG1 and R37.NH2 other bump:2.06095 Ang E8.OE1 and R37.NH1 other bump:2.30109 Ang V32.CG1 and R37.CZ other bump:1.77316 Ang V32.CG1 and R37.NE other bump:2.91713 Ang V32.CG1 and R37.CD neighbor-bump: 2.70788 Ang D15.OD1 and C16.SG other bump:2.78036 Ang I10.CG2 and S13.CB self-bump: 2.21527 Ang T11.CA and T11.OG1 other bump:2.25093 Ang K3.CD and F5.CZ other bump:1.9808 Ang K3.CE and F5.CZ other bump:1.99866 Ang K3.NZ and F5.CZ other bump:2.60914 Ang K3.CB and F5.CZ other bump:2.87071 Ang K3.CG and F5.CZ other bump:3.11767 Ang K3.CD and F5.CE2 other bump:2.08125 Ang K3.CE and F5.CE2 other bump:1.93981 Ang K3.NZ and F5.CE2 other bump:2.7684 Ang K3.CB and F5.CE1 T0187 103 :KPAALIFGGE 1g6hA 221 :DHLYVMFNGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.36916 Ang K2.CA and P3.CD neighbor-bump: 2.2509 Ang K2.CB and P3.CD neighbor-bump: 1.83008 Ang K2.C and P3.CD neighbor-bump: 2.60992 Ang K2.C and P3.CG T0187 117 :VKGNGIGGRNQELALSAAI 1g6hA 231 :IIAEGRGEEEIKNVLSDPK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues neighbor-bump: 2.73503 Ang I7.CG2 and G8.N self-bump: 1.32985 Ang I7.CA and I7.CB Number of specific fragments= 6 total=675 Number of alignments=139 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1g6hA 39 :IGPNGSGKSTLINVITGFLKADEGRVYFE Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.36969 Ang K16.CA and R27.NH2 other bump:1.93506 Ang K16.C and R27.NH2 other bump:1.28135 Ang K16.O and R27.NH2 other bump:2.77294 Ang K16.C and R27.NH1 other bump:2.17584 Ang K16.CA and R27.CZ other bump:2.27238 Ang K16.C and R27.CZ other bump:1.82871 Ang K16.O and R27.CZ other bump:2.189 Ang K16.CA and R27.NE other bump:2.77801 Ang K16.CB and R27.NE other bump:2.88779 Ang K16.CG and R27.NE other bump:3.18229 Ang K16.N and R27.NE other bump:3.12728 Ang K16.CA and R27.CD neighbor-bump: 2.4363 Ang S24.C and V25.CG2 neighbor-bump: 1.53572 Ang S24.O and V25.CG2 neighbor-bump: 2.53388 Ang S24.C and V25.CB neighbor-bump: 2.03236 Ang S24.O and V25.CB other bump:2.93373 Ang E15.CD and S22.OG other bump:1.96948 Ang E15.OE2 and S22.OG other bump:2.69069 Ang E15.CD and S22.CB other bump:1.72123 Ang E15.OE2 and S22.CB other bump:3.21835 Ang E15.CD and S22.CA other bump:2.74431 Ang E15.OE2 and S22.CA other bump:3.03027 Ang K12.CE and K16.NZ other bump:1.89353 Ang K12.NZ and K16.NZ neighbor-bump: 2.15359 Ang S5.O and T6.CB neighbor-bump: 2.44022 Ang S5.C and T6.CB self-bump: 2.14655 Ang S5.CB and S5.C self-bump: 1.24092 Ang S5.CA and S5.CB neighbor-bump: 2.08457 Ang G1.C and P2.CD T0187 34 :QETPKHLSNVEIHLIGNVQKVCDEAKSLA 1g6hA 140 :FLKLSHLYDRKAGELSGGQMKLVEIGRAL Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.4694 Ang I13.CG2 and K21.NZ other bump:2.94937 Ang I13.CG2 and K21.CD other bump:2.86041 Ang I16.CG2 and K21.N other bump:3.14632 Ang I16.CG2 and Q20.C other bump:2.61402 Ang I16.CG2 and Q20.CB self-bump: 1.37469 Ang N18.CA and N18.CB neighbor-bump: 2.62726 Ang I16.CG2 and G17.O neighbor-bump: 2.0727 Ang T4.CA and P5.CD neighbor-bump: 1.66841 Ang T4.C and P5.CD other bump:3.04057 Ang E3.CA and P5.CD other bump:2.15793 Ang E3.O and P5.CD other bump:1.92242 Ang E3.C and P5.CD neighbor-bump: 1.82778 Ang T4.N and P5.CD self-bump: 1.30052 Ang P5.N and P5.CD neighbor-bump: 2.79517 Ang T4.C and P5.CG other bump:2.85179 Ang E3.CB and P5.CG other bump:2.32796 Ang E3.O and P5.CG other bump:2.55761 Ang E3.C and P5.CG neighbor-bump: 3.10725 Ang T4.N and P5.CG self-bump: 2.15167 Ang P5.N and P5.CG T0187 64 :EKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 169 :MTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 40 residues other bump:2.90399 Ang M29.CE and L39.CD2 other bump:1.93211 Ang M29.CE and L39.CD1 other bump:2.58804 Ang M29.CE and L39.CG other bump:1.90928 Ang N6.O and P38.CD other bump:3.14351 Ang N6.C and P38.CD other bump:2.56466 Ang V32.CG2 and R37.NH2 other bump:2.55172 Ang V32.CB and R37.NH2 other bump:2.4383 Ang V32.CG1 and R37.NH2 other bump:2.06095 Ang E8.OE1 and R37.NH1 other bump:2.30109 Ang V32.CG1 and R37.CZ other bump:1.77316 Ang V32.CG1 and R37.NE other bump:2.91713 Ang V32.CG1 and R37.CD neighbor-bump: 2.70788 Ang D15.OD1 and C16.SG other bump:2.78036 Ang I10.CG2 and S13.CB self-bump: 2.21527 Ang T11.CA and T11.OG1 other bump:2.25093 Ang K3.CD and F5.CZ other bump:1.9808 Ang K3.CE and F5.CZ other bump:1.99866 Ang K3.NZ and F5.CZ other bump:2.60914 Ang K3.CB and F5.CZ other bump:2.87071 Ang K3.CG and F5.CZ other bump:3.11767 Ang K3.CD and F5.CE2 other bump:2.08125 Ang K3.CE and F5.CE2 other bump:1.93981 Ang K3.NZ and F5.CE2 other bump:2.7684 Ang K3.CB and F5.CE1 T0187 102 :KKPAALIFGGETVVH 1g6hA 220 :IDHLYVMFNGQIIAE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALSAAIALEGIEG 1g6hA 235 :GRGEEEIKNVLSDPKVVEIYIG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.88812 Ang L18.CA and I21.CG2 other bump:2.07008 Ang L18.O and I21.CG2 other bump:2.75449 Ang L18.C and I21.CG2 neighbor-bump: 2.73503 Ang I3.CG2 and G4.N self-bump: 1.32985 Ang I3.CA and I3.CB Number of specific fragments= 5 total=680 Number of alignments=140 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVL 1g6hA 41 :PNGSGKSTLINVI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.17892 Ang S5.O and T6.OG1 neighbor-bump: 2.44798 Ang S5.C and T6.OG1 neighbor-bump: 1.8061 Ang S5.O and T6.CB neighbor-bump: 2.2711 Ang S5.C and T6.CB neighbor-bump: 2.44255 Ang D3.C and S4.CB neighbor-bump: 2.14443 Ang D3.O and S4.CB T0187 96 :FKDRP 1g6hA 54 :TGFLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 102 :KKPAALIFGGETVV 1g6hA 220 :IDHLYVMFNGQIIA Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 120 :NGIGGRNQELALSAAIALEGIEG 1g6hA 234 :EGRGEEEIKNVLSDPKVVEIYIG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.88812 Ang L19.CA and I22.CG2 other bump:2.07008 Ang L19.O and I22.CG2 other bump:2.75449 Ang L19.C and I22.CG2 neighbor-bump: 2.73503 Ang I4.CG2 and G5.N self-bump: 1.32985 Ang I4.CA and I4.CB Number of specific fragments= 4 total=684 Number of alignments=141 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSST 1g6hA 40 :GPNGS Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.75041 Ang P2.CB and T6.OG1 neighbor-bump: 2.14443 Ang S4.O and S5.CB neighbor-bump: 2.44254 Ang S4.C and S5.CB neighbor-bump: 1.62584 Ang G1.O and P2.CD neighbor-bump: 0.98693 Ang G1.C and P2.CD neighbor-bump: 2.2795 Ang G1.O and P2.CG neighbor-bump: 2.29331 Ang G1.C and P2.CG neighbor-bump: 2.63059 Ang G1.C and P2.CB T0187 12 :DALKVLEKYGIE 1g6hA 46 :KSTLINVITGFL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.03027 Ang K5.CE and K9.NZ other bump:1.89353 Ang K5.NZ and K9.NZ T0187 24 :TSESVKRAIL 1g6hA 74 :KEPAELYHYG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.45406 Ang T2.O and K7.CE other bump:2.68437 Ang T2.CG2 and V6.CG1 other bump:2.72113 Ang T2.CG2 and V6.CB T0187 34 :QETPKHLSNV 1g6hA 89 :QTPQPLKEMT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 49 :GNVQKVCDEAKSLAKEKGF 1g6hA 125 :PKEEEMVEKAFKILEFLKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKDR 1g6hA 173 :KMIVMDEPIAGVAPGLAHDIFNHVLELKAKGI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.97261 Ang V28.CG2 and R33.NH1 other bump:2.73441 Ang V28.CG1 and R33.NH1 other bump:3.01698 Ang V28.CG1 and R33.CZ other bump:2.88424 Ang V28.CG1 and R33.NE other bump:2.6022 Ang V28.CG1 and R33.CD other bump:3.01036 Ang V28.CG1 and R33.CB neighbor-bump: 2.70788 Ang D11.OD1 and C12.SG other bump:2.78036 Ang I6.CG2 and S9.CB self-bump: 2.21527 Ang T7.CA and T7.OG1 T0187 100 :PLKKP 1g6hA 210 :EHRLD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 1.86244 Ang K5.C and P6.CD neighbor-bump: 2.72397 Ang K5.C and P6.CG self-bump: 1.36336 Ang P6.CA and P6.CB T0187 105 :AALIFGGETVVHVKG 1g6hA 223 :LYVMFNGQIIAEGRG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.58567 Ang H13.NE2 and K15.NZ other bump:2.8876 Ang L4.CD1 and V12.CG1 other bump:2.93761 Ang L4.CD1 and V12.CB T0187 126 :NQELALSAA 1g6hA 238 :EEEIKNVLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 135 :IALEGIEG 1g6hA 249 :KVVEIYIG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.88812 Ang L4.CA and I7.CG2 other bump:2.07008 Ang L4.O and I7.CG2 other bump:2.75449 Ang L4.C and I7.CG2 Number of specific fragments= 10 total=694 Number of alignments=142 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 4 :W 1g6hA 5 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 5 :PDSSTS 1g6hA 40 :GPNGSG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.77787 Ang P2.CB and T6.OG1 neighbor-bump: 2.14443 Ang S4.O and S5.CB neighbor-bump: 2.44254 Ang S4.C and S5.CB neighbor-bump: 1.62584 Ang G1.O and P2.CD neighbor-bump: 0.98693 Ang G1.C and P2.CD neighbor-bump: 2.2795 Ang G1.O and P2.CG neighbor-bump: 2.29331 Ang G1.C and P2.CG neighbor-bump: 2.63059 Ang G1.C and P2.CB T0187 12 :DALKVLEKYGIE 1g6hA 46 :KSTLINVITGFL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.03027 Ang K5.CE and K9.NZ other bump:1.89353 Ang K5.NZ and K9.NZ T0187 24 :TSESVKRAIL 1g6hA 74 :KEPAELYHYG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.45406 Ang T2.O and K7.CE other bump:2.68437 Ang T2.CG2 and V6.CG1 other bump:2.72113 Ang T2.CG2 and V6.CB T0187 34 :QETPKHLSNV 1g6hA 88 :FQTPQPLKEM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:1.97093 Ang L8.O and V11.CG1 other bump:2.84325 Ang L8.C and V11.CG1 T0187 49 :GNVQKVCDEAKSLAKEKGF 1g6hA 125 :PKEEEMVEKAFKILEFLKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEVKFKDR 1g6hA 173 :KMIVMDEPIAGVAPGLAHDIFNHVLELKAKGI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.97261 Ang V28.CG2 and R33.NH1 other bump:2.73441 Ang V28.CG1 and R33.NH1 other bump:3.01698 Ang V28.CG1 and R33.CZ other bump:2.88424 Ang V28.CG1 and R33.NE other bump:2.6022 Ang V28.CG1 and R33.CD other bump:3.01036 Ang V28.CG1 and R33.CB neighbor-bump: 2.70788 Ang D11.OD1 and C12.SG other bump:2.78036 Ang I6.CG2 and S9.CB self-bump: 2.21527 Ang T7.CA and T7.OG1 T0187 100 :PL 1g6hA 212 :RL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 105 :AALIFGGETVVHVKG 1g6hA 223 :LYVMFNGQIIAEGRG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.58567 Ang H13.NE2 and K15.NZ other bump:2.8876 Ang L4.CD1 and V12.CG1 other bump:2.93761 Ang L4.CD1 and V12.CB T0187 126 :NQELALSAA 1g6hA 238 :EEEIKNVLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 135 :IALEGIEG 1g6hA 249 :KVVEIYIG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.88812 Ang L4.CA and I7.CG2 other bump:2.07008 Ang L4.O and I7.CG2 other bump:2.75449 Ang L4.C and I7.CG2 Number of specific fragments= 11 total=705 Number of alignments=143 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1g6hA 126 :KEEEMVEKAFKILEFLKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91609 Ang Y17.CB and I19.CD1 T0187 30 :RAILQETPKHL 1g6hA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.70939 Ang T8.OG1 and H11.CD2 other bump:2.40193 Ang E7.OE1 and H11.CB T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 155 :SGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.90399 Ang M43.CE and L53.CD2 other bump:1.93211 Ang M43.CE and L53.CD1 other bump:2.58804 Ang M43.CE and L53.CG other bump:1.90928 Ang N20.O and P52.CD other bump:3.14351 Ang N20.C and P52.CD other bump:2.56466 Ang V46.CG2 and R51.NH2 other bump:2.55172 Ang V46.CB and R51.NH2 other bump:2.4383 Ang V46.CG1 and R51.NH2 other bump:2.06095 Ang E22.OE1 and R51.NH1 other bump:2.30109 Ang V46.CG1 and R51.CZ other bump:1.77316 Ang V46.CG1 and R51.NE other bump:2.91713 Ang V46.CG1 and R51.CD other bump:2.69741 Ang K11.CE and M43.SD other bump:1.5727 Ang K11.NZ and M43.SD other bump:2.50291 Ang D8.OD2 and F38.CZ other bump:1.99918 Ang D8.OD2 and F38.CE1 other bump:2.80783 Ang D8.CG and F38.CE1 other bump:2.72295 Ang Q4.CD and A35.CB other bump:1.97124 Ang Q4.NE2 and A35.CB other bump:2.15129 Ang Q4.NE2 and A35.CA neighbor-bump: 2.70788 Ang D29.OD1 and C30.SG other bump:2.78036 Ang I24.CG2 and S27.CB self-bump: 2.21527 Ang T25.CA and T25.OG1 other bump:1.98082 Ang K17.CE and F19.CZ other bump:1.99869 Ang K17.NZ and F19.CZ other bump:2.25095 Ang K17.CD and F19.CZ other bump:2.60916 Ang K17.CB and F19.CZ other bump:2.87073 Ang K17.CG and F19.CZ other bump:2.08128 Ang K17.CE and F19.CE2 other bump:1.93983 Ang K17.NZ and F19.CE2 other bump:3.11769 Ang K17.CD and F19.CE2 other bump:1.38585 Ang A14.O and F19.CE1 other bump:2.44591 Ang A14.C and F19.CE1 other bump:3.08779 Ang A14.CA and F19.CE1 other bump:2.76841 Ang K17.CB and F19.CE1 other bump:1.92378 Ang A14.O and F19.CD1 T0187 102 :KKPAALIFGGETVVHVKG 1g6hA 220 :IDHLYVMFNGQIIAEGRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58567 Ang H16.NE2 and K18.NZ other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG Number of specific fragments= 4 total=709 Number of alignments=144 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1g6hA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.96667 Ang L15.CD2 and I20.CD1 other bump:2.99226 Ang L15.CD2 and I20.CG1 T0187 31 :AILQETPKHL 1g6hA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.70939 Ang T7.OG1 and H10.CD2 other bump:2.40193 Ang E6.OE1 and H10.CB T0187 49 :GNVQKVCDEAKS 1g6hA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.37469 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 167 :ALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.90399 Ang M31.CE and L41.CD2 other bump:1.93211 Ang M31.CE and L41.CD1 other bump:2.58804 Ang M31.CE and L41.CG other bump:1.90928 Ang N8.O and P40.CD other bump:3.14351 Ang N8.C and P40.CD other bump:2.56466 Ang V34.CG2 and R39.NH2 other bump:2.55172 Ang V34.CB and R39.NH2 other bump:2.4383 Ang V34.CG1 and R39.NH2 other bump:2.06095 Ang E10.OE1 and R39.NH1 other bump:2.30109 Ang V34.CG1 and R39.CZ other bump:1.77316 Ang V34.CG1 and R39.NE other bump:2.91713 Ang V34.CG1 and R39.CD neighbor-bump: 2.70788 Ang D17.OD1 and C18.SG other bump:2.78036 Ang I12.CG2 and S15.CB self-bump: 2.21527 Ang T13.CA and T13.OG1 other bump:2.25095 Ang K5.CD and F7.CZ other bump:1.98082 Ang K5.CE and F7.CZ other bump:1.99869 Ang K5.NZ and F7.CZ other bump:2.60916 Ang K5.CB and F7.CZ other bump:2.87073 Ang K5.CG and F7.CZ other bump:3.11769 Ang K5.CD and F7.CE2 other bump:2.08128 Ang K5.CE and F7.CE2 other bump:1.93983 Ang K5.NZ and F7.CE2 other bump:3.08779 Ang A2.CA and F7.CE1 other bump:1.38585 Ang A2.O and F7.CE1 other bump:2.44591 Ang A2.C and F7.CE1 other bump:2.76841 Ang K5.CB and F7.CE1 other bump:1.92378 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1g6hA 220 :IDHLYVMFNGQIIAE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1g6hA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.73503 Ang I3.CG2 and G4.N self-bump: 1.32985 Ang I3.CA and I3.CB Number of specific fragments= 6 total=715 Number of alignments=145 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1g6hA 126 :KEEEMVEKAFKILEFLKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.91609 Ang Y17.CB and I19.CD1 T0187 30 :RAILQETPKHL 1g6hA 144 :SHLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.70939 Ang T8.OG1 and H11.CD2 other bump:2.40193 Ang E7.OE1 and H11.CB T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 155 :SGGQMKLVEIGRALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 36 clashes (null) has 36 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 54 residues other bump:2.90399 Ang M43.CE and L53.CD2 other bump:1.93211 Ang M43.CE and L53.CD1 other bump:2.58804 Ang M43.CE and L53.CG other bump:1.90928 Ang N20.O and P52.CD other bump:3.14351 Ang N20.C and P52.CD other bump:2.56466 Ang V46.CG2 and R51.NH2 other bump:2.55172 Ang V46.CB and R51.NH2 other bump:2.4383 Ang V46.CG1 and R51.NH2 other bump:2.06095 Ang E22.OE1 and R51.NH1 other bump:2.30109 Ang V46.CG1 and R51.CZ other bump:1.77316 Ang V46.CG1 and R51.NE other bump:2.91713 Ang V46.CG1 and R51.CD other bump:2.69741 Ang K11.CE and M43.SD other bump:1.5727 Ang K11.NZ and M43.SD other bump:2.50291 Ang D8.OD2 and F38.CZ other bump:1.99918 Ang D8.OD2 and F38.CE1 other bump:2.80783 Ang D8.CG and F38.CE1 other bump:2.72295 Ang Q4.CD and A35.CB other bump:1.97124 Ang Q4.NE2 and A35.CB other bump:2.15129 Ang Q4.NE2 and A35.CA neighbor-bump: 2.70788 Ang D29.OD1 and C30.SG other bump:2.78036 Ang I24.CG2 and S27.CB self-bump: 2.21527 Ang T25.CA and T25.OG1 other bump:1.98082 Ang K17.CE and F19.CZ other bump:1.99869 Ang K17.NZ and F19.CZ other bump:2.25095 Ang K17.CD and F19.CZ other bump:2.60916 Ang K17.CB and F19.CZ other bump:2.87073 Ang K17.CG and F19.CZ other bump:2.08128 Ang K17.CE and F19.CE2 other bump:1.93983 Ang K17.NZ and F19.CE2 other bump:3.11769 Ang K17.CD and F19.CE2 other bump:1.38585 Ang A14.O and F19.CE1 other bump:2.44591 Ang A14.C and F19.CE1 other bump:3.08779 Ang A14.CA and F19.CE1 other bump:2.76841 Ang K17.CB and F19.CE1 other bump:1.92378 Ang A14.O and F19.CD1 T0187 102 :KKPAALIFGGETVVHVKG 1g6hA 220 :IDHLYVMFNGQIIAEGRG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58567 Ang H16.NE2 and K18.NZ other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG Number of specific fragments= 4 total=719 Number of alignments=146 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 4 :WPDSSTSEDALKVLEKYGIE 1g6hA 125 :PKEEEMVEKAFKILEFLKLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.96667 Ang L15.CD2 and I20.CD1 other bump:2.99226 Ang L15.CD2 and I20.CG1 T0187 31 :AILQETPKHL 1g6hA 145 :HLYDRKAGEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.70939 Ang T7.OG1 and H10.CD2 other bump:2.40193 Ang E6.OE1 and H10.CB T0187 49 :GNVQKVCDEAKS 1g6hA 155 :SGGQMKLVEIGR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues self-bump: 1.37469 Ang N3.CA and N3.CB T0187 62 :AKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 167 :ALMTNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:2.90399 Ang M31.CE and L41.CD2 other bump:1.93211 Ang M31.CE and L41.CD1 other bump:2.58804 Ang M31.CE and L41.CG other bump:1.90928 Ang N8.O and P40.CD other bump:3.14351 Ang N8.C and P40.CD other bump:2.56466 Ang V34.CG2 and R39.NH2 other bump:2.55172 Ang V34.CB and R39.NH2 other bump:2.4383 Ang V34.CG1 and R39.NH2 other bump:2.06095 Ang E10.OE1 and R39.NH1 other bump:2.30109 Ang V34.CG1 and R39.CZ other bump:1.77316 Ang V34.CG1 and R39.NE other bump:2.91713 Ang V34.CG1 and R39.CD neighbor-bump: 2.70788 Ang D17.OD1 and C18.SG other bump:2.78036 Ang I12.CG2 and S15.CB self-bump: 2.21527 Ang T13.CA and T13.OG1 other bump:2.25095 Ang K5.CD and F7.CZ other bump:1.98082 Ang K5.CE and F7.CZ other bump:1.99869 Ang K5.NZ and F7.CZ other bump:2.60916 Ang K5.CB and F7.CZ other bump:2.87073 Ang K5.CG and F7.CZ other bump:3.11769 Ang K5.CD and F7.CE2 other bump:2.08128 Ang K5.CE and F7.CE2 other bump:1.93983 Ang K5.NZ and F7.CE2 other bump:3.08779 Ang A2.CA and F7.CE1 other bump:1.38585 Ang A2.O and F7.CE1 other bump:2.44591 Ang A2.C and F7.CE1 other bump:2.76841 Ang K5.CB and F7.CE1 other bump:1.92378 Ang A2.O and F7.CD1 T0187 102 :KKPAALIFGGETVVH 1g6hA 220 :IDHLYVMFNGQIIAE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.8876 Ang L7.CD1 and V15.CG1 other bump:2.93761 Ang L7.CD1 and V15.CB neighbor-bump: 2.36917 Ang K3.CA and P4.CD neighbor-bump: 2.25228 Ang K3.CB and P4.CD neighbor-bump: 1.83008 Ang K3.C and P4.CD neighbor-bump: 2.60992 Ang K3.C and P4.CG T0187 121 :GIGGRNQELALS 1g6hA 235 :GRGEEEIKNVLS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 2.73503 Ang I3.CG2 and G4.N self-bump: 1.32985 Ang I3.CA and I3.CB Number of specific fragments= 6 total=725 Number of alignments=147 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-local-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-local-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 111 :GETVVHVKGNGIG 1g6hA 33 :GDVTLIIGPNGSG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.04794 Ang K9.CB and I13.CD1 other bump:2.22179 Ang K9.CG and I13.CD1 other bump:2.5381 Ang K9.C and I13.CD1 other bump:1.70493 Ang G10.N and I13.CD1 other bump:2.29583 Ang G10.CA and I13.CD1 other bump:2.27914 Ang G10.O and I13.CD1 other bump:2.57381 Ang G10.C and I13.CD1 other bump:0.865256 Ang K9.CD and I13.CG2 other bump:1.60235 Ang K9.CE and I13.CG2 other bump:2.52057 Ang K9.NZ and I13.CG2 other bump:2.81661 Ang K9.CB and I13.CG2 other bump:1.77553 Ang K9.CG and I13.CG2 other bump:3.09232 Ang K9.CD and I13.CG1 other bump:2.60745 Ang K9.CG and I13.CG1 other bump:3.19259 Ang G10.N and I13.CG1 other bump:2.29843 Ang K9.CD and I13.CB other bump:2.64542 Ang K9.CE and I13.CB other bump:2.37225 Ang K9.CG and I13.CB Number of specific fragments= 1 total=726 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-local-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-local-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 7 :SSTSEDALKVLEKYGIETSES 1g6hA 128 :EEMVEKAFKILEFLKLSHLYD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.96667 Ang L12.CD2 and I17.CD1 other bump:2.99226 Ang L12.CD2 and I17.CG1 T0187 42 :NVEIHLIGNVQKVCDEAKSLA 1g6hA 149 :RKAGELSGGQMKLVEIGRALM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.84009 Ang I8.CG2 and V11.N other bump:2.60487 Ang N2.OD1 and L7.CD2 other bump:2.57001 Ang V3.CG2 and H6.CD2 other bump:3.11569 Ang V3.CG2 and H6.CG T0187 65 :KGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 170 :TNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.90399 Ang M28.CE and L38.CD2 other bump:1.93211 Ang M28.CE and L38.CD1 other bump:2.58804 Ang M28.CE and L38.CG other bump:1.90928 Ang N5.O and P37.CD other bump:3.14351 Ang N5.C and P37.CD other bump:2.56466 Ang V31.CG2 and R36.NH2 other bump:2.55172 Ang V31.CB and R36.NH2 other bump:2.4383 Ang V31.CG1 and R36.NH2 other bump:2.06095 Ang E7.OE1 and R36.NH1 other bump:2.30109 Ang V31.CG1 and R36.CZ other bump:1.77316 Ang V31.CG1 and R36.NE other bump:2.91713 Ang V31.CG1 and R36.CD neighbor-bump: 2.70788 Ang D14.OD1 and C15.SG other bump:2.78036 Ang I9.CG2 and S12.CB self-bump: 2.21527 Ang T10.CA and T10.OG1 other bump:2.25094 Ang K2.CD and F4.CZ other bump:1.9808 Ang K2.CE and F4.CZ other bump:1.99867 Ang K2.NZ and F4.CZ other bump:2.60915 Ang K2.CB and F4.CZ other bump:2.87071 Ang K2.CG and F4.CZ other bump:3.11768 Ang K2.CD and F4.CE2 other bump:2.08126 Ang K2.CE and F4.CE2 other bump:1.93982 Ang K2.NZ and F4.CE2 other bump:2.7684 Ang K2.CB and F4.CE1 Number of specific fragments= 3 total=729 Number of alignments=148 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-simpleSW-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 81 :REAGRFIASIMKEVKFKDRPLKKPAALIF 1g6hA 149 :RKAGELSGGQMKLVEIGRALMTNPKMIVM Fragment has 33 clashes (null) has 33 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.56913 Ang R20.NH2 and F30.CZ other bump:2.63185 Ang R20.CZ and F30.CZ other bump:2.13791 Ang R20.NE and F30.CZ other bump:2.95298 Ang F17.CD2 and F30.CE2 other bump:1.31773 Ang R20.NH2 and F30.CE2 other bump:1.42885 Ang R20.CZ and F30.CE2 other bump:2.6112 Ang R20.NH1 and F30.CE2 other bump:3.02826 Ang R20.CD and F30.CE2 other bump:1.67753 Ang R20.NE and F30.CE2 other bump:3.09339 Ang L28.CB and F30.CE1 other bump:1.86811 Ang R20.NH2 and F30.CD2 other bump:2.05706 Ang R20.CZ and F30.CD2 other bump:2.63956 Ang R20.NH1 and F30.CD2 other bump:2.72771 Ang R20.NE and F30.CD2 other bump:2.93787 Ang P25.CG and L28.CD2 other bump:2.76382 Ang F17.C and P21.CD other bump:1.60191 Ang F17.O and P21.CD other bump:2.877 Ang K18.C and P21.CD self-bump: 1.37533 Ang P21.N and P21.CD neighbor-bump: 2.50529 Ang R20.N and P21.CD other bump:2.97446 Ang F17.C and P21.CG other bump:2.00531 Ang F17.O and P21.CG other bump:2.18221 Ang F17.CD2 and R20.NH2 other bump:2.63386 Ang F17.CE2 and R20.NH2 other bump:2.77376 Ang I8.CG2 and I11.CG1 other bump:2.8401 Ang I8.CG2 and I11.N other bump:2.48533 Ang A4.CA and F7.CE1 other bump:2.98369 Ang E3.C and F7.CE1 other bump:2.8667 Ang A4.N and F7.CE1 other bump:2.56586 Ang A4.CA and F7.CD1 other bump:2.43447 Ang A4.O and F7.CD1 other bump:2.75477 Ang A4.C and F7.CD1 other bump:2.77058 Ang E3.OE1 and R6.CZ Number of specific fragments= 1 total=730 Number of alignments=149 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-simpleSW-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set Number of specific fragments= 0 total=730 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-vit-adpstyle1.pw.a2m.gz # 1g6hA read from T0187-1g6hA-vit-adpstyle1.pw.a2m.gz # found chain 1g6hA in template set T0187 111 :GETVVHVKGNGIG 1g6hA 33 :GDVTLIIGPNGSG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.04794 Ang K9.CB and I13.CD1 other bump:2.22179 Ang K9.CG and I13.CD1 other bump:2.5381 Ang K9.C and I13.CD1 other bump:1.70493 Ang G10.N and I13.CD1 other bump:2.29583 Ang G10.CA and I13.CD1 other bump:2.27914 Ang G10.O and I13.CD1 other bump:2.57381 Ang G10.C and I13.CD1 other bump:0.865256 Ang K9.CD and I13.CG2 other bump:1.60235 Ang K9.CE and I13.CG2 other bump:2.52057 Ang K9.NZ and I13.CG2 other bump:2.81661 Ang K9.CB and I13.CG2 other bump:1.77553 Ang K9.CG and I13.CG2 other bump:3.09232 Ang K9.CD and I13.CG1 other bump:2.60745 Ang K9.CG and I13.CG1 other bump:3.19259 Ang G10.N and I13.CG1 other bump:2.29843 Ang K9.CD and I13.CB other bump:2.64542 Ang K9.CE and I13.CB other bump:2.37225 Ang K9.CG and I13.CB Number of specific fragments= 1 total=731 # Reading fragments from alignment file # T0187 read from T0187-1g6hA-vit-adpstyle5.pw.a2m.gz # 1g6hA read from T0187-1g6hA-vit-adpstyle5.pw.a2m.gz # found chain 1g6hA in template set T0187 7 :SSTSEDALKVLEKYGIETSES 1g6hA 128 :EEMVEKAFKILEFLKLSHLYD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.96667 Ang L12.CD2 and I17.CD1 other bump:2.99226 Ang L12.CD2 and I17.CG1 T0187 42 :NVEIHLIGNVQKVCDEAKSLA 1g6hA 149 :RKAGELSGGQMKLVEIGRALM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.84009 Ang I8.CG2 and V11.N other bump:2.60487 Ang N2.OD1 and L7.CD2 other bump:2.57001 Ang V3.CG2 and H6.CD2 other bump:3.11569 Ang V3.CG2 and H6.CG T0187 65 :KGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1g6hA 170 :TNPKMIVMDEPIAGVAPGLAHDIFNHVLELKAKGITF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 39 residues other bump:2.90399 Ang M28.CE and L38.CD2 other bump:1.93211 Ang M28.CE and L38.CD1 other bump:2.58804 Ang M28.CE and L38.CG other bump:1.90928 Ang N5.O and P37.CD other bump:3.14351 Ang N5.C and P37.CD other bump:2.56466 Ang V31.CG2 and R36.NH2 other bump:2.55172 Ang V31.CB and R36.NH2 other bump:2.4383 Ang V31.CG1 and R36.NH2 other bump:2.06095 Ang E7.OE1 and R36.NH1 other bump:2.30109 Ang V31.CG1 and R36.CZ other bump:1.77316 Ang V31.CG1 and R36.NE other bump:2.91713 Ang V31.CG1 and R36.CD neighbor-bump: 2.70788 Ang D14.OD1 and C15.SG other bump:2.78036 Ang I9.CG2 and S12.CB self-bump: 2.21527 Ang T10.CA and T10.OG1 other bump:2.25094 Ang K2.CD and F4.CZ other bump:1.9808 Ang K2.CE and F4.CZ other bump:1.99867 Ang K2.NZ and F4.CZ other bump:2.60915 Ang K2.CB and F4.CZ other bump:2.87071 Ang K2.CG and F4.CZ other bump:3.11768 Ang K2.CD and F4.CE2 other bump:2.08126 Ang K2.CE and F4.CE2 other bump:1.93982 Ang K2.NZ and F4.CE2 other bump:2.7684 Ang K2.CB and F4.CE1 Number of specific fragments= 3 total=734 Number of alignments=150 # Prefix for input files set to 1i58A/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1i58A-T0187-local-adpstyle1.pw.a2m.gz # 1i58A read from 1i58A-T0187-local-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 45 :IHLIGNVQKVCDEAKSLAKEKGFNAEIITT 1i58A 356 :VPISFVFNRFPRMVRDLAKKMNKEVNFIMR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.00742 Ang A15.CB and I28.CD1 other bump:3.1781 Ang K22.C and F24.CE1 other bump:2.1304 Ang K22.O and F24.CE1 other bump:2.1834 Ang K22.O and F24.CD1 other bump:2.71616 Ang K10.CG and E14.OE2 other bump:2.64061 Ang K10.CE and E14.OE2 other bump:1.68156 Ang K10.NZ and E14.OE2 other bump:2.73031 Ang K10.NZ and E14.CD other bump:2.51216 Ang I5.O and Q9.CG other bump:2.97622 Ang I5.CG2 and Q9.CG T0187 75 :SLDCEAREAGRFIASIMKE 1i58A 387 :EDTELDRTFVEEIGEPLLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 94 :VKFK 1i58A 411 :IDHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 98 :DRPLKKPAALIFGGETVVHVKGNGIG 1i58A 428 :PIGTLILSARHEGNNVVIEVEDDGRG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.72676 Ang L5.CB and N24.OD1 other bump:2.48951 Ang L5.N and N24.ND2 other bump:3.07044 Ang L5.N and N24.CG other bump:2.80491 Ang V18.CG1 and H20.NE2 neighbor-bump: 2.13965 Ang K7.C and P8.CD Number of specific fragments= 4 total=738 Number of alignments=151 # Reading fragments from alignment file # T0187 read from 1i58A-T0187-local-adpstyle5.pw.a2m.gz # 1i58A read from 1i58A-T0187-local-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 45 :IHLIGNVQKVCDEAKSLAKEKGFNAEIITT 1i58A 356 :VPISFVFNRFPRMVRDLAKKMNKEVNFIMR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.00742 Ang A15.CB and I28.CD1 other bump:3.1781 Ang K22.C and F24.CE1 other bump:2.1304 Ang K22.O and F24.CE1 other bump:2.1834 Ang K22.O and F24.CD1 other bump:2.71616 Ang K10.CG and E14.OE2 other bump:2.64061 Ang K10.CE and E14.OE2 other bump:1.68156 Ang K10.NZ and E14.OE2 other bump:2.73031 Ang K10.NZ and E14.CD other bump:2.51216 Ang I5.O and Q9.CG other bump:2.97622 Ang I5.CG2 and Q9.CG T0187 75 :SLDCEAREAGRFIASIMKE 1i58A 387 :EDTELDRTFVEEIGEPLLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 94 :VKFK 1i58A 411 :IDHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 98 :DRPLKKPAALIFGGETVVHVKGNGIGGRNQEL 1i58A 428 :PIGTLILSARHEGNNVVIEVEDDGRGIDKEKI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.05047 Ang R29.NH1 and E32.OE1 other bump:2.72676 Ang L5.CB and N24.OD1 other bump:2.48951 Ang L5.N and N24.ND2 other bump:3.07044 Ang L5.N and N24.CG other bump:2.80491 Ang V18.CG1 and H20.NE2 neighbor-bump: 2.13965 Ang K7.C and P8.CD Number of specific fragments= 4 total=742 Number of alignments=152 # Reading fragments from alignment file # T0187 read from 1i58A-T0187-vit-adpstyle1.pw.a2m.gz # 1i58A read from 1i58A-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 45 :IHLIGNVQKVCDEAKSLAKEKGFNAEIITT 1i58A 356 :VPISFVFNRFPRMVRDLAKKMNKEVNFIMR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.00742 Ang A15.CB and I28.CD1 other bump:3.1781 Ang K22.C and F24.CE1 other bump:2.1304 Ang K22.O and F24.CE1 other bump:2.1834 Ang K22.O and F24.CD1 other bump:2.71616 Ang K10.CG and E14.OE2 other bump:2.64061 Ang K10.CE and E14.OE2 other bump:1.68156 Ang K10.NZ and E14.OE2 other bump:2.73031 Ang K10.NZ and E14.CD other bump:2.51216 Ang I5.O and Q9.CG other bump:2.97622 Ang I5.CG2 and Q9.CG T0187 75 :SLDCEAREAGRFIASIMKE 1i58A 387 :EDTELDRTFVEEIGEPLLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 94 :VKFK 1i58A 411 :IDHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 98 :DRPLKKPAALIFGGETVVHVKGNGIG 1i58A 428 :PIGTLILSARHEGNNVVIEVEDDGRG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.72676 Ang L5.CB and N24.OD1 other bump:2.48951 Ang L5.N and N24.ND2 other bump:3.07044 Ang L5.N and N24.CG other bump:2.80491 Ang V18.CG1 and H20.NE2 neighbor-bump: 2.13965 Ang K7.C and P8.CD Number of specific fragments= 4 total=746 Number of alignments=153 # Reading fragments from alignment file # T0187 read from 1i58A-T0187-vit-adpstyle5.pw.a2m.gz # 1i58A read from 1i58A-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 45 :IHLIGNVQKVCDEAKSLAKEKGFNAEIITT 1i58A 356 :VPISFVFNRFPRMVRDLAKKMNKEVNFIMR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues other bump:3.00742 Ang A15.CB and I28.CD1 other bump:3.1781 Ang K22.C and F24.CE1 other bump:2.1304 Ang K22.O and F24.CE1 other bump:2.1834 Ang K22.O and F24.CD1 other bump:2.71616 Ang K10.CG and E14.OE2 other bump:2.64061 Ang K10.CE and E14.OE2 other bump:1.68156 Ang K10.NZ and E14.OE2 other bump:2.73031 Ang K10.NZ and E14.CD other bump:2.51216 Ang I5.O and Q9.CG other bump:2.97622 Ang I5.CG2 and Q9.CG T0187 75 :SLDCEAREAGRFIASIMKE 1i58A 387 :EDTELDRTFVEEIGEPLLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 94 :VKFK 1i58A 411 :IDHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 98 :DRPLKKPAALIFGGETVVHVKGNGIGGRNQEL 1i58A 428 :PIGTLILSARHEGNNVVIEVEDDGRGIDKEKI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.05047 Ang R29.NH1 and E32.OE1 other bump:2.72676 Ang L5.CB and N24.OD1 other bump:2.48951 Ang L5.N and N24.ND2 other bump:3.07044 Ang L5.N and N24.CG other bump:2.80491 Ang V18.CG1 and H20.NE2 neighbor-bump: 2.13965 Ang K7.C and P8.CD Number of specific fragments= 4 total=750 Number of alignments=154 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAWPDSSTSED 1i58A 352 :GSHMVPISFVFN Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.52136 Ang S8.O and D12.CG other bump:2.28165 Ang D6.OD1 and S8.OG neighbor-bump: 1.76827 Ang W4.C and P5.CD neighbor-bump: 2.40144 Ang W4.CA and P5.CD neighbor-bump: 2.59792 Ang W4.C and P5.CG neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 364 :RFPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.66491 Ang T22.CG2 and L25.CD2 other bump:2.89518 Ang T22.CG2 and L25.CG neighbor-bump: 2.50931 Ang T23.C and S24.CB other bump:3.00742 Ang A7.CB and I20.CD1 other bump:3.1781 Ang K14.C and F16.CE1 other bump:2.1304 Ang K14.O and F16.CE1 other bump:2.1834 Ang K14.O and F16.CD1 other bump:2.53103 Ang K2.CG and E6.OE2 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 124 :GRNQELALSAAIALEGIE 1i58A 504 :GVGMDVVKNVVESLNGSI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.03106 Ang A12.CB and E19.OE1 other bump:3.04264 Ang A12.CB and E19.CD neighbor-bump: 2.37854 Ang N4.ND2 and Q5.N self-bump: 1.38179 Ang N4.CA and N4.CB T0187 142 :GVILCSAG 1i58A 532 :KVTIRLPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 5 total=755 Number of alignments=155 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAWPDSSTS 1i58A 352 :GSHMVPISFV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28165 Ang D6.OD1 and S8.OG neighbor-bump: 1.76827 Ang W4.C and P5.CD neighbor-bump: 2.40144 Ang W4.CA and P5.CD neighbor-bump: 2.59792 Ang W4.C and P5.CG neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 17 :L 1i58A 362 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLDC 1i58A 363 :NRFPRMVRDLAKKMNKEVNFIMRGEDT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.66491 Ang T23.CG2 and L26.CD2 other bump:2.89518 Ang T23.CG2 and L26.CG neighbor-bump: 2.50931 Ang T24.C and S25.CB other bump:3.00742 Ang A8.CB and I21.CD1 other bump:3.1781 Ang K15.C and F17.CE1 other bump:2.1304 Ang K15.O and F17.CE1 other bump:2.1834 Ang K15.O and F17.CD1 other bump:2.71616 Ang K3.CG and E7.OE2 other bump:2.64061 Ang K3.CE and E7.OE2 other bump:1.68157 Ang K3.NZ and E7.OE2 other bump:2.73031 Ang K3.NZ and E7.CD T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 114 :VVHVK 1i58A 520 :SISIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:1.82546 Ang H4.ND1 and K6.NZ other bump:1.70369 Ang H4.CE1 and K6.NZ T0187 142 :GVILCSAG 1i58A 532 :KVTIRLPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 6 total=761 Number of alignments=156 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 3 total=764 Number of alignments=157 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDC 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGGR 1i58A 440 :GNNVVIEVEDDGRGID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 127 :QELALSAAI 1i58A 456 :KEKIIRKAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 5 total=769 Number of alignments=158 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 1 :G 1i58A 352 :G Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 21 :GIETSESVK 1i58A 353 :SHMVPISFV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.1677 Ang S6.OG and S8.OG T0187 51 :VQKVCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 362 :FNRFPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.75891 Ang V2.CB and L27.CD2 other bump:1.99175 Ang V2.CG1 and L27.CD2 other bump:2.66491 Ang T24.CG2 and L27.CD2 other bump:2.89518 Ang T24.CG2 and L27.CG neighbor-bump: 2.50931 Ang T25.C and S26.CB other bump:3.00742 Ang A9.CB and I22.CD1 other bump:3.1781 Ang K16.C and F18.CE1 other bump:2.1304 Ang K16.O and F18.CE1 other bump:2.1834 Ang K16.O and F18.CD1 other bump:2.71616 Ang K4.CG and E8.OE2 other bump:2.64061 Ang K4.CE and E8.OE2 other bump:1.68156 Ang K4.NZ and E8.OE2 other bump:2.73031 Ang K4.NZ and E8.CD T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIFGGE 1i58A 518 :NGSISIESEKD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 1.99282 Ang K3.C and P4.CD T0187 113 :TVVHVKGN 1i58A 531 :TKVTIRLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 6 total=775 Number of alignments=159 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAWPD 1i58A 352 :GSHMVP Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 1.76827 Ang W4.C and P5.CD neighbor-bump: 2.40144 Ang W4.CA and P5.CD neighbor-bump: 2.59792 Ang W4.C and P5.CG neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 13 :ALKVL 1i58A 358 :ISFVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 52 :QKVCDEAKSLAKEKGFNAEIITTS 1i58A 363 :NRFPRMVRDLAKKMNKEVNFIMRG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.00742 Ang A8.CB and I21.CD1 other bump:3.1781 Ang K15.C and F17.CE1 other bump:2.1304 Ang K15.O and F17.CE1 other bump:2.1834 Ang K15.O and F17.CD1 other bump:2.71616 Ang K3.CG and E7.OE2 other bump:2.64061 Ang K3.CE and E7.OE2 other bump:1.68157 Ang K3.NZ and E7.OE2 other bump:2.73031 Ang K3.NZ and E7.CD T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 103 :KP 1i58A 519 :GS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 115 :VHVKGN 1i58A 521 :ISIESE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 142 :GVILCSAG 1i58A 532 :KVTIRLPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=782 Number of alignments=160 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 426 :KPPIGTLI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.92877 Ang L7.CG and F9.CZ other bump:2.56984 Ang L7.CD1 and F9.CZ other bump:2.64897 Ang L7.CD2 and F9.CZ other bump:2.06945 Ang L7.CG and F9.CE1 other bump:2.41592 Ang L7.CD1 and F9.CE1 other bump:1.87585 Ang L7.CD2 and F9.CE1 T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 3 total=785 Number of alignments=161 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLD 1i58A 363 :NRFPRMVRDLAKKMNKEVNFIMRGED Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T23.CG2 and L26.CD2 other bump:2.89518 Ang T23.CG2 and L26.CG neighbor-bump: 2.50931 Ang T24.C and S25.CB other bump:3.00742 Ang A8.CB and I21.CD1 other bump:3.1781 Ang K15.C and F17.CE1 other bump:2.1304 Ang K15.O and F17.CE1 other bump:2.1834 Ang K15.O and F17.CD1 other bump:2.71616 Ang K3.CG and E7.OE2 other bump:2.64061 Ang K3.CE and E7.OE2 other bump:1.68157 Ang K3.NZ and E7.OE2 other bump:2.73031 Ang K3.NZ and E7.CD T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 105 :AALIF 1i58A 431 :TLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.55307 Ang L4.CB and F6.CE1 T0187 110 :GGETVVHVKGNGIGGRNQEL 1i58A 440 :GNNVVIEVEDDGRGIDKEKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.05047 Ang R17.NH1 and E20.OE1 other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 131 :LSAA 1i58A 460 :IRKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 5 total=790 Number of alignments=162 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAWPDSSTS 1i58A 352 :GSHMVPISFV Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28165 Ang D6.OD1 and S8.OG neighbor-bump: 1.76827 Ang W4.C and P5.CD neighbor-bump: 2.40144 Ang W4.CA and P5.CD neighbor-bump: 2.59792 Ang W4.C and P5.CG neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 51 :VQKVCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 362 :FNRFPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.75891 Ang V2.CB and L27.CD2 other bump:1.99175 Ang V2.CG1 and L27.CD2 other bump:2.66491 Ang T24.CG2 and L27.CD2 other bump:2.89518 Ang T24.CG2 and L27.CG neighbor-bump: 2.50931 Ang T25.C and S26.CB other bump:3.00742 Ang A9.CB and I22.CD1 other bump:3.1781 Ang K16.C and F18.CE1 other bump:2.1304 Ang K16.O and F18.CE1 other bump:2.1834 Ang K16.O and F18.CD1 other bump:2.71616 Ang K4.CG and E8.OE2 other bump:2.64061 Ang K4.CE and E8.OE2 other bump:1.68156 Ang K4.NZ and E8.OE2 other bump:2.73031 Ang K4.NZ and E8.CD T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 113 :TVVHVKGN 1i58A 531 :TKVTIRLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 4 total=794 Number of alignments=163 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAWPDSSTSE 1i58A 352 :GSHMVPISFVF Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.28165 Ang D6.OD1 and S8.OG neighbor-bump: 1.76827 Ang W4.C and P5.CD neighbor-bump: 2.40144 Ang W4.CA and P5.CD neighbor-bump: 2.59792 Ang W4.C and P5.CG neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 363 :NRFPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.66491 Ang T23.CG2 and L26.CD2 other bump:2.89518 Ang T23.CG2 and L26.CG neighbor-bump: 2.50931 Ang T24.C and S25.CB other bump:3.00742 Ang A8.CB and I21.CD1 other bump:3.1781 Ang K15.C and F17.CE1 other bump:2.1304 Ang K15.O and F17.CE1 other bump:2.1834 Ang K15.O and F17.CD1 other bump:2.71616 Ang K3.CG and E7.OE2 other bump:2.64061 Ang K3.CE and E7.OE2 other bump:1.68157 Ang K3.NZ and E7.OE2 other bump:2.73031 Ang K3.NZ and E7.CD T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 113 :TVVHVK 1i58A 531 :TKVTIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 4 total=798 Number of alignments=164 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAW 1i58A 352 :GSHM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.8864 Ang P2.CB and W4.CZ3 other bump:2.64159 Ang P2.CB and W4.CE3 other bump:2.68485 Ang P2.O and W4.CE2 neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 16 :VLEKYG 1i58A 359 :SFVFNR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.70684 Ang V2.CB and Y6.OH other bump:1.95308 Ang V2.CG1 and Y6.OH other bump:2.53426 Ang V2.CB and Y6.CZ other bump:1.14589 Ang V2.CG1 and Y6.CZ other bump:2.17839 Ang V2.CG1 and Y6.CE2 other bump:2.52507 Ang V2.O and Y6.CE1 other bump:2.05871 Ang V2.CB and Y6.CE1 other bump:1.06608 Ang V2.CG1 and Y6.CE1 other bump:2.71444 Ang V2.CA and Y6.CE1 other bump:2.52273 Ang V2.C and Y6.CE1 other bump:2.82211 Ang V2.CG1 and Y6.CD2 other bump:1.6553 Ang V2.O and Y6.CD1 other bump:3.02009 Ang V2.CB and Y6.CD1 other bump:2.09594 Ang V2.CG1 and Y6.CD1 other bump:2.99811 Ang V2.CA and Y6.CD1 other bump:2.33009 Ang V2.C and Y6.CD1 other bump:2.81399 Ang V2.CG1 and Y6.CG T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGGRNQELALSAAI 1i58A 440 :GNNVVIEVEDDGRGIDKEKIIRKAIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.05047 Ang R17.NH1 and E20.OE1 other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 136 :ALEGIE 1i58A 473 :KAATLS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.7848 Ang G1.O and E4.OE2 other bump:2.31426 Ang G1.C and E4.OE2 other bump:1.87377 Ang G1.O and E4.OE1 other bump:2.0027 Ang G1.C and E4.OE1 other bump:1.57519 Ang G1.O and E4.CD other bump:2.27541 Ang G1.C and E4.CD T0187 142 :GV 1i58A 490 :GF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 8 total=806 Number of alignments=165 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 1 :GPAW 1i58A 352 :GSHM Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues other bump:2.8864 Ang P2.CB and W4.CZ3 other bump:2.64159 Ang P2.CB and W4.CE3 other bump:2.68485 Ang P2.O and W4.CE2 neighbor-bump: 2.66103 Ang P2.CD and A3.N neighbor-bump: 1.97177 Ang G1.CA and P2.CD neighbor-bump: 1.16218 Ang G1.O and P2.CD neighbor-bump: 0.745323 Ang G1.C and P2.CD neighbor-bump: 1.14957 Ang G1.O and P2.CG neighbor-bump: 1.92431 Ang G1.C and P2.CG neighbor-bump: 2.06519 Ang G1.O and P2.CB neighbor-bump: 2.40597 Ang G1.C and P2.CB T0187 16 :VLEKYG 1i58A 359 :SFVFNR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.70684 Ang V2.CB and Y6.OH other bump:1.95308 Ang V2.CG1 and Y6.OH other bump:2.53426 Ang V2.CB and Y6.CZ other bump:1.14589 Ang V2.CG1 and Y6.CZ other bump:2.17839 Ang V2.CG1 and Y6.CE2 other bump:2.52507 Ang V2.O and Y6.CE1 other bump:2.05871 Ang V2.CB and Y6.CE1 other bump:1.06608 Ang V2.CG1 and Y6.CE1 other bump:2.71444 Ang V2.CA and Y6.CE1 other bump:2.52273 Ang V2.C and Y6.CE1 other bump:2.82211 Ang V2.CG1 and Y6.CD2 other bump:1.6553 Ang V2.O and Y6.CD1 other bump:3.02009 Ang V2.CB and Y6.CD1 other bump:2.09594 Ang V2.CG1 and Y6.CD1 other bump:2.99811 Ang V2.CA and Y6.CD1 other bump:2.33009 Ang V2.C and Y6.CD1 other bump:2.81399 Ang V2.CG1 and Y6.CG T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGGRNQELALSAAI 1i58A 440 :GNNVVIEVEDDGRGIDKEKIIRKAIE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.05047 Ang R17.NH1 and E20.OE1 other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 136 :ALEGIE 1i58A 473 :KAATLS Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.7848 Ang G1.O and E4.OE2 other bump:2.31426 Ang G1.C and E4.OE2 other bump:1.87377 Ang G1.O and E4.OE1 other bump:2.0027 Ang G1.C and E4.OE1 other bump:1.57519 Ang G1.O and E4.CD other bump:2.27541 Ang G1.C and E4.CD T0187 142 :GV 1i58A 490 :GF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 8 total=814 Number of alignments=166 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 4 total=818 Number of alignments=167 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGG 1i58A 440 :GNNVVIEVEDDGRGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 126 :NQELALSAAI 1i58A 455 :DKEKIIRKAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 5 total=823 Number of alignments=168 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 4 total=827 Number of alignments=169 # Reading fragments from alignment file # T0187 read from T0187-1i58A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCE 1i58A 365 :FPRMVRDLAKKMNKEVNFIMRGEDTE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.66491 Ang T21.CG2 and L24.CD2 other bump:2.89518 Ang T21.CG2 and L24.CG neighbor-bump: 2.50931 Ang T22.C and S23.CB other bump:3.00742 Ang A6.CB and I19.CD1 other bump:3.1781 Ang K13.C and F15.CE1 other bump:2.1304 Ang K13.O and F15.CE1 other bump:2.1834 Ang K13.O and F15.CD1 T0187 80 :AREAGRFIASIMKEVKFKDRPL 1i58A 396 :VEEIGEPLLHLLRNAIDHGIEP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues T0187 102 :KKPAALIF 1i58A 428 :PIGTLILS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.55307 Ang L7.CB and F9.CE1 T0187 110 :GGETVVHVKGNGIGG 1i58A 440 :GNNVVIEVEDDGRGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 T0187 126 :NQELALSAAI 1i58A 455 :DKEKIIRKAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 5 total=832 Number of alignments=170 # Reading fragments from alignment file # T0187 read from T0187-1i58A-local-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-local-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 1 total=833 # Reading fragments from alignment file # T0187 read from T0187-1i58A-local-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-local-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 80 :AREAGRFIASIMKEVKFKD 1i58A 396 :VEEIGEPLLHLLRNAIDHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 1 total=834 # Reading fragments from alignment file # T0187 read from T0187-1i58A-simpleSW-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 112 :ETVVHVKGNGIG 1i58A 495 :EKVSEVSGRGVG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.14386 Ang E2.CA and I12.CD1 other bump:1.87629 Ang E2.CB and I12.CD1 other bump:1.57586 Ang E2.CG and I12.CD1 other bump:2.76747 Ang E2.CD and I12.CD1 other bump:2.8169 Ang E2.CA and I12.CG1 other bump:2.93798 Ang E2.CG and I12.CG1 other bump:2.62526 Ang V5.CG1 and N10.ND2 other bump:2.46588 Ang E2.O and H6.CD2 Number of specific fragments= 1 total=835 # Reading fragments from alignment file # T0187 read from T0187-1i58A-simpleSW-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1i58A in template set Number of specific fragments= 0 total=835 # Reading fragments from alignment file # T0187 read from T0187-1i58A-vit-adpstyle1.pw.a2m.gz # 1i58A read from T0187-1i58A-vit-adpstyle1.pw.a2m.gz # found chain 1i58A in template set T0187 110 :GGETVVHVKGNGIG 1i58A 440 :GNNVVIEVEDDGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.80491 Ang V6.CG1 and H8.NE2 Number of specific fragments= 1 total=836 # Reading fragments from alignment file # T0187 read from T0187-1i58A-vit-adpstyle5.pw.a2m.gz # 1i58A read from T0187-1i58A-vit-adpstyle5.pw.a2m.gz # found chain 1i58A in template set T0187 80 :AREAGRFIASIMKEVKFKD 1i58A 396 :VEEIGEPLLHLLRNAIDHG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues Number of specific fragments= 1 total=837 # Prefix for input files set to 1fukA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1fukA-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1fukA read from 1fukA-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 52 :QKVCDEAKSLAKEKGFNAEIIT 1fukA 234 :KQFYVNVEEEEYKYECLTDLYD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.67521 Ang N18.OD1 and I22.CD1 other bump:2.66506 Ang F17.CE2 and I21.CD1 other bump:2.95106 Ang F17.CD2 and I21.CD1 other bump:2.71714 Ang F17.CZ and I21.CD1 other bump:0.735909 Ang G16.O and E20.OE1 other bump:1.83578 Ang G16.C and E20.OE1 other bump:2.79403 Ang G16.CA and E20.OE1 other bump:1.95842 Ang G16.O and E20.CD other bump:2.89996 Ang G16.C and E20.CD other bump:2.55243 Ang D6.CB and F17.CZ other bump:2.42654 Ang D6.CG and F17.CZ other bump:2.61623 Ang D6.OD2 and F17.CZ other bump:2.69353 Ang D6.CB and F17.CE2 other bump:2.86561 Ang D6.CG and F17.CE2 other bump:2.65758 Ang D6.OD2 and F17.CE2 other bump:2.81757 Ang L11.CD1 and E14.OE1 T0187 74 :TSLDCEAREAGRFIASIMKEVKFK 1fukA 262 :AVIFCNTRRKVEELTTKLRNDKFT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.55463 Ang V22.CG1 and F24.CE1 other bump:2.32657 Ang S17.O and E21.OE2 other bump:1.01305 Ang S17.O and E21.OE1 other bump:1.91662 Ang S17.C and E21.OE1 other bump:2.55441 Ang I18.CA and E21.OE1 other bump:1.83629 Ang S17.O and E21.CD other bump:2.74047 Ang S17.C and E21.CD other bump:3.09194 Ang E10.CG and F14.CZ other bump:2.54319 Ang E10.CG and F14.CE2 other bump:3.12731 Ang E10.CD and F14.CE2 other bump:2.81328 Ang E10.OE2 and F14.CE2 T0187 98 :DRPLKKPAALIFG 1fukA 292 :DLPQQERDTIMKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 111 :GETVVHVKGNGIGGR 1fukA 310 :SRILISTDLLARGID Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.9996 Ang V5.CG1 and H7.NE2 T0187 126 :NQELALSAAIALEGI 1fukA 333 :NYDLPANKENYIHRI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.69117 Ang S8.CB and I11.CD1 T0187 142 :GVILCSAGT 1fukA 358 :VAINFVTNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 6 total=843 Number of alignments=171 # Reading fragments from alignment file # T0187 read from 1fukA-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1fukA read from 1fukA-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 39 :HLSNVEI 1fukA 234 :KQFYVNV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 46 :H 1fukA 242 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 49 :GNVQKVCDEAK 1fukA 245 :YKYECLTDLYD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 60 :SLAKEKGFNAEIITTSLDCEAREAGR 1fukA 277 :TKLRNDKFTVSAIYSDLPQQERDTIM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:2.73215 Ang E12.CD and G26.C other bump:1.81985 Ang E12.OE2 and G26.C other bump:2.37237 Ang E12.CD and G26.O other bump:2.05507 Ang E12.OE2 and G26.O other bump:3.10375 Ang E12.CD and G26.CA other bump:2.03578 Ang E12.OE2 and G26.CA other bump:2.32657 Ang S2.O and E6.OE2 other bump:2.55441 Ang L3.CA and E6.OE1 other bump:1.01305 Ang S2.O and E6.OE1 other bump:1.91662 Ang S2.C and E6.OE1 other bump:1.8363 Ang S2.O and E6.CD other bump:2.74048 Ang S2.C and E6.CD T0187 86 :FIASIMKEVKFKDRPL 1fukA 310 :SRILISTDLLARGIDV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.10563 Ang M7.SD and R15.NH2 other bump:2.28936 Ang M7.SD and R15.CZ other bump:1.90206 Ang M7.SD and R15.NE other bump:2.87869 Ang M7.CE and F12.CD1 other bump:2.9611 Ang M7.CE and F12.CA T0187 103 :KPAALIFGGET 1fukA 326 :QQVSLVINYDL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.47627 Ang L6.CG and F8.CZ other bump:2.37992 Ang L6.CD1 and F8.CZ other bump:2.09138 Ang L6.CD2 and F8.CZ other bump:2.29061 Ang L6.CG and F8.CE2 other bump:1.92687 Ang L6.CD2 and F8.CE2 other bump:2.8425 Ang L6.CD1 and F8.CE1 T0187 119 :GNGIGGR 1fukA 344 :IHRIGRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 128 :ELALSAA 1fukA 358 :VAINFVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 135 :IALEGIEG 1fukA 366 :EDVGAMRE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 9 total=852 Number of alignments=172 # Reading fragments from alignment file # T0187 read from 1fukA-T0187-local-adpstyle1.pw.a2m.gz # 1fukA read from 1fukA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 20 :YGIETSESVKRAILQETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREA 1fukA 237 :YVNVEEEEYKYECLTDLYDSISVTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERDT Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 66 residues other bump:3.10375 Ang E52.CD and G66.CA other bump:2.03578 Ang E52.OE2 and G66.CA other bump:1.72028 Ang K41.CG and I53.CD1 other bump:1.73448 Ang K41.CD and I53.CD1 other bump:2.88 Ang K41.CD and I53.CG2 other bump:2.06646 Ang K41.CG and I53.CG1 other bump:0.86549 Ang K41.CD and I53.CG1 other bump:1.76573 Ang K41.CE and I53.CG1 other bump:2.63682 Ang K41.NZ and I53.CG1 other bump:2.19598 Ang K41.CD and I53.CB other bump:2.68781 Ang K41.CE and I53.CB other bump:2.781 Ang K41.NZ and I53.CB other bump:1.98412 Ang R12.NE and K47.NZ other bump:1.11851 Ang R12.CZ and K47.NZ other bump:2.11806 Ang R12.NH1 and K47.NZ other bump:0.768318 Ang R12.NH2 and K47.NZ other bump:2.97217 Ang R12.NE and K47.CE other bump:1.99481 Ang R12.CZ and K47.CE other bump:2.78216 Ang R12.NH1 and K47.CE other bump:0.785762 Ang R12.NH2 and K47.CE other bump:3.04234 Ang R12.NE and K47.CD other bump:2.66865 Ang R12.CZ and K47.CD other bump:1.82603 Ang R12.NH2 and K47.CD other bump:2.32657 Ang S42.O and E46.OE2 other bump:2.55441 Ang L43.CA and E46.OE1 other bump:1.01305 Ang S42.O and E46.OE1 other bump:1.91662 Ang S42.C and E46.OE1 other bump:1.8363 Ang S42.O and E46.CD other bump:2.74048 Ang S42.C and E46.CD neighbor-bump: 2.70941 Ang V25.CG2 and E26.N self-bump: 1.36653 Ang V25.CA and V25.CB neighbor-bump: 2.64239 Ang T18.N and P19.CD other bump:1.35737 Ang L15.O and P19.CD other bump:2.5045 Ang L15.C and P19.CD other bump:2.8649 Ang Q16.C and P19.CD other bump:3.20265 Ang Q16.CA and P19.CD other bump:1.79771 Ang L15.O and P19.CG other bump:2.82412 Ang L15.C and P19.CG other bump:2.37338 Ang R12.NH1 and Q16.CB other bump:2.5744 Ang E5.CB and I14.CD1 other bump:2.23884 Ang E5.CG and I14.CD1 other bump:1.5478 Ang E5.CD and I14.CD1 other bump:1.04262 Ang E5.OE1 and I14.CD1 other bump:2.62725 Ang E5.OE2 and I14.CD1 other bump:2.59105 Ang E5.CD and I14.CG2 other bump:1.86968 Ang E5.OE2 and I14.CG2 other bump:2.43633 Ang E5.CD and I14.CG1 other bump:1.89377 Ang E5.OE1 and I14.CG1 other bump:2.932 Ang E5.OE2 and I14.CG1 other bump:2.80257 Ang E5.CD and I14.CB other bump:2.92194 Ang E5.OE1 and I14.CB other bump:3.00827 Ang E5.CB and V10.CG1 other bump:2.23548 Ang E5.O and V10.CG1 other bump:2.91657 Ang Y2.CE1 and I4.CD1 other bump:2.86931 Ang Y2.CE1 and I4.CG1 Number of specific fragments= 1 total=853 Number of alignments=173 # Reading fragments from alignment file # T0187 read from 1fukA-T0187-local-adpstyle5.pw.a2m.gz # 1fukA read from 1fukA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 20 :YGIETSESVKRAILQETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREA 1fukA 237 :YVNVEEEEYKYECLTDLYDSISVTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERDT Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 66 residues other bump:3.10375 Ang E52.CD and G66.CA other bump:2.03578 Ang E52.OE2 and G66.CA other bump:1.72028 Ang K41.CG and I53.CD1 other bump:1.73448 Ang K41.CD and I53.CD1 other bump:2.88 Ang K41.CD and I53.CG2 other bump:2.06646 Ang K41.CG and I53.CG1 other bump:0.86549 Ang K41.CD and I53.CG1 other bump:1.76573 Ang K41.CE and I53.CG1 other bump:2.63682 Ang K41.NZ and I53.CG1 other bump:2.19598 Ang K41.CD and I53.CB other bump:2.68781 Ang K41.CE and I53.CB other bump:2.781 Ang K41.NZ and I53.CB other bump:1.98412 Ang R12.NE and K47.NZ other bump:1.11851 Ang R12.CZ and K47.NZ other bump:2.11806 Ang R12.NH1 and K47.NZ other bump:0.768318 Ang R12.NH2 and K47.NZ other bump:2.97217 Ang R12.NE and K47.CE other bump:1.99481 Ang R12.CZ and K47.CE other bump:2.78216 Ang R12.NH1 and K47.CE other bump:0.785762 Ang R12.NH2 and K47.CE other bump:3.04234 Ang R12.NE and K47.CD other bump:2.66865 Ang R12.CZ and K47.CD other bump:1.82603 Ang R12.NH2 and K47.CD other bump:2.32657 Ang S42.O and E46.OE2 other bump:2.55441 Ang L43.CA and E46.OE1 other bump:1.01305 Ang S42.O and E46.OE1 other bump:1.91662 Ang S42.C and E46.OE1 other bump:1.8363 Ang S42.O and E46.CD other bump:2.74048 Ang S42.C and E46.CD neighbor-bump: 2.70941 Ang V25.CG2 and E26.N self-bump: 1.36653 Ang V25.CA and V25.CB neighbor-bump: 2.64239 Ang T18.N and P19.CD other bump:1.35737 Ang L15.O and P19.CD other bump:2.5045 Ang L15.C and P19.CD other bump:2.8649 Ang Q16.C and P19.CD other bump:3.20265 Ang Q16.CA and P19.CD other bump:1.79771 Ang L15.O and P19.CG other bump:2.82412 Ang L15.C and P19.CG other bump:2.37338 Ang R12.NH1 and Q16.CB other bump:2.5744 Ang E5.CB and I14.CD1 other bump:2.23884 Ang E5.CG and I14.CD1 other bump:1.5478 Ang E5.CD and I14.CD1 other bump:1.04262 Ang E5.OE1 and I14.CD1 other bump:2.62725 Ang E5.OE2 and I14.CD1 other bump:2.59105 Ang E5.CD and I14.CG2 other bump:1.86968 Ang E5.OE2 and I14.CG2 other bump:2.43633 Ang E5.CD and I14.CG1 other bump:1.89377 Ang E5.OE1 and I14.CG1 other bump:2.932 Ang E5.OE2 and I14.CG1 other bump:2.80257 Ang E5.CD and I14.CB other bump:2.92194 Ang E5.OE1 and I14.CB other bump:3.00827 Ang E5.CB and V10.CG1 other bump:2.23548 Ang E5.O and V10.CG1 other bump:2.91657 Ang Y2.CE1 and I4.CD1 other bump:2.86931 Ang Y2.CE1 and I4.CG1 Number of specific fragments= 1 total=854 Number of alignments=174 # Reading fragments from alignment file # T0187 read from 1fukA-T0187-vit-adpstyle1.pw.a2m.gz # 1fukA read from 1fukA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 20 :YGIETSESVKRAILQETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREA 1fukA 237 :YVNVEEEEYKYECLTDLYDSISVTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERDT Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 66 residues other bump:3.10375 Ang E52.CD and G66.CA other bump:2.03578 Ang E52.OE2 and G66.CA other bump:1.72028 Ang K41.CG and I53.CD1 other bump:1.73448 Ang K41.CD and I53.CD1 other bump:2.88 Ang K41.CD and I53.CG2 other bump:2.06646 Ang K41.CG and I53.CG1 other bump:0.86549 Ang K41.CD and I53.CG1 other bump:1.76573 Ang K41.CE and I53.CG1 other bump:2.63682 Ang K41.NZ and I53.CG1 other bump:2.19598 Ang K41.CD and I53.CB other bump:2.68781 Ang K41.CE and I53.CB other bump:2.781 Ang K41.NZ and I53.CB other bump:1.98412 Ang R12.NE and K47.NZ other bump:1.11851 Ang R12.CZ and K47.NZ other bump:2.11806 Ang R12.NH1 and K47.NZ other bump:0.768318 Ang R12.NH2 and K47.NZ other bump:2.97217 Ang R12.NE and K47.CE other bump:1.99481 Ang R12.CZ and K47.CE other bump:2.78216 Ang R12.NH1 and K47.CE other bump:0.785762 Ang R12.NH2 and K47.CE other bump:3.04234 Ang R12.NE and K47.CD other bump:2.66865 Ang R12.CZ and K47.CD other bump:1.82603 Ang R12.NH2 and K47.CD other bump:2.32657 Ang S42.O and E46.OE2 other bump:2.55441 Ang L43.CA and E46.OE1 other bump:1.01305 Ang S42.O and E46.OE1 other bump:1.91662 Ang S42.C and E46.OE1 other bump:1.8363 Ang S42.O and E46.CD other bump:2.74048 Ang S42.C and E46.CD neighbor-bump: 2.70941 Ang V25.CG2 and E26.N self-bump: 1.36653 Ang V25.CA and V25.CB neighbor-bump: 2.64239 Ang T18.N and P19.CD other bump:1.35737 Ang L15.O and P19.CD other bump:2.5045 Ang L15.C and P19.CD other bump:2.8649 Ang Q16.C and P19.CD other bump:3.20265 Ang Q16.CA and P19.CD other bump:1.79771 Ang L15.O and P19.CG other bump:2.82412 Ang L15.C and P19.CG other bump:2.37338 Ang R12.NH1 and Q16.CB other bump:2.5744 Ang E5.CB and I14.CD1 other bump:2.23884 Ang E5.CG and I14.CD1 other bump:1.5478 Ang E5.CD and I14.CD1 other bump:1.04262 Ang E5.OE1 and I14.CD1 other bump:2.62725 Ang E5.OE2 and I14.CD1 other bump:2.59105 Ang E5.CD and I14.CG2 other bump:1.86968 Ang E5.OE2 and I14.CG2 other bump:2.43633 Ang E5.CD and I14.CG1 other bump:1.89377 Ang E5.OE1 and I14.CG1 other bump:2.932 Ang E5.OE2 and I14.CG1 other bump:2.80257 Ang E5.CD and I14.CB other bump:2.92194 Ang E5.OE1 and I14.CB other bump:3.00827 Ang E5.CB and V10.CG1 other bump:2.23548 Ang E5.O and V10.CG1 other bump:2.91657 Ang Y2.CE1 and I4.CD1 other bump:2.86931 Ang Y2.CE1 and I4.CG1 Number of specific fragments= 1 total=855 Number of alignments=175 # Reading fragments from alignment file # T0187 read from 1fukA-T0187-vit-adpstyle5.pw.a2m.gz # 1fukA read from 1fukA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 20 :YGIETSESVKRAILQETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREA 1fukA 237 :YVNVEEEEYKYECLTDLYDSISVTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERDT Fragment has 55 clashes (null) has 55 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 66 residues other bump:3.10375 Ang E52.CD and G66.CA other bump:2.03578 Ang E52.OE2 and G66.CA other bump:1.72028 Ang K41.CG and I53.CD1 other bump:1.73448 Ang K41.CD and I53.CD1 other bump:2.88 Ang K41.CD and I53.CG2 other bump:2.06646 Ang K41.CG and I53.CG1 other bump:0.86549 Ang K41.CD and I53.CG1 other bump:1.76573 Ang K41.CE and I53.CG1 other bump:2.63682 Ang K41.NZ and I53.CG1 other bump:2.19598 Ang K41.CD and I53.CB other bump:2.68781 Ang K41.CE and I53.CB other bump:2.781 Ang K41.NZ and I53.CB other bump:1.98412 Ang R12.NE and K47.NZ other bump:1.11851 Ang R12.CZ and K47.NZ other bump:2.11806 Ang R12.NH1 and K47.NZ other bump:0.768318 Ang R12.NH2 and K47.NZ other bump:2.97217 Ang R12.NE and K47.CE other bump:1.99481 Ang R12.CZ and K47.CE other bump:2.78216 Ang R12.NH1 and K47.CE other bump:0.785762 Ang R12.NH2 and K47.CE other bump:3.04234 Ang R12.NE and K47.CD other bump:2.66865 Ang R12.CZ and K47.CD other bump:1.82603 Ang R12.NH2 and K47.CD other bump:2.32657 Ang S42.O and E46.OE2 other bump:2.55441 Ang L43.CA and E46.OE1 other bump:1.01305 Ang S42.O and E46.OE1 other bump:1.91662 Ang S42.C and E46.OE1 other bump:1.8363 Ang S42.O and E46.CD other bump:2.74048 Ang S42.C and E46.CD neighbor-bump: 2.70941 Ang V25.CG2 and E26.N self-bump: 1.36653 Ang V25.CA and V25.CB neighbor-bump: 2.64239 Ang T18.N and P19.CD other bump:1.35737 Ang L15.O and P19.CD other bump:2.5045 Ang L15.C and P19.CD other bump:2.8649 Ang Q16.C and P19.CD other bump:3.20265 Ang Q16.CA and P19.CD other bump:1.79771 Ang L15.O and P19.CG other bump:2.82412 Ang L15.C and P19.CG other bump:2.37338 Ang R12.NH1 and Q16.CB other bump:2.5744 Ang E5.CB and I14.CD1 other bump:2.23884 Ang E5.CG and I14.CD1 other bump:1.5478 Ang E5.CD and I14.CD1 other bump:1.04262 Ang E5.OE1 and I14.CD1 other bump:2.62725 Ang E5.OE2 and I14.CD1 other bump:2.59105 Ang E5.CD and I14.CG2 other bump:1.86968 Ang E5.OE2 and I14.CG2 other bump:2.43633 Ang E5.CD and I14.CG1 other bump:1.89377 Ang E5.OE1 and I14.CG1 other bump:2.932 Ang E5.OE2 and I14.CG1 other bump:2.80257 Ang E5.CD and I14.CB other bump:2.92194 Ang E5.OE1 and I14.CB other bump:3.00827 Ang E5.CB and V10.CG1 other bump:2.23548 Ang E5.O and V10.CG1 other bump:2.91657 Ang Y2.CE1 and I4.CD1 other bump:2.86931 Ang Y2.CE1 and I4.CG1 Number of specific fragments= 1 total=856 Number of alignments=176 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKDRPL 1fukA 300 :TIMKEFRSGSSRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.81873 Ang I3.C and R12.NH2 other bump:1.71251 Ang I3.CG2 and R12.NH2 other bump:2.55121 Ang I3.CG2 and R12.NH1 other bump:2.42531 Ang I3.CG2 and R12.CZ other bump:2.5224 Ang V7.CG2 and R12.NE other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 102 :KKP 1fukA 348 :GRG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.44128 Ang K3.CA and P4.CD neighbor-bump: 1.56036 Ang K3.O and P4.CD neighbor-bump: 2.79111 Ang K3.CB and P4.CD self-bump: 1.29962 Ang P4.N and P4.CD neighbor-bump: 2.33686 Ang K3.N and P4.CD neighbor-bump: 0.500238 Ang K3.C and P4.CD neighbor-bump: 2.71092 Ang K3.CA and P4.CG neighbor-bump: 1.14302 Ang K3.O and P4.CG self-bump: 2.15989 Ang P4.N and P4.CG neighbor-bump: 1.5293 Ang K3.C and P4.CG neighbor-bump: 1.6581 Ang K3.O and P4.CB neighbor-bump: 2.18028 Ang K3.C and P4.CB neighbor-bump: 2.92368 Ang K2.CG and K3.CB neighbor-bump: 2.88734 Ang K2.CG and K3.CA neighbor-bump: 2.3577 Ang K2.CB and K3.N neighbor-bump: 1.75278 Ang K2.CG and K3.N self-bump: 2.13804 Ang K2.CB and K2.C self-bump: 2.3144 Ang K2.CG and K2.C self-bump: 1.27153 Ang K2.CA and K2.CB T0187 112 :ETVVHVKGN 1fukA 358 :VAINFVTNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 131 :LSAAIALEGIE 1fukA 368 :VGAMRELEKFY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.4668 Ang E9.O and E12.O T0187 142 :GVILCSAGT 1fukA 381 :QIEELPSDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=863 Number of alignments=177 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKD 1fukA 300 :TIMKEFRSGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 100 :PL 1fukA 310 :SR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 103 :KP 1fukA 349 :RG Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 1.44129 Ang K2.CA and P3.CD neighbor-bump: 1.56036 Ang K2.O and P3.CD neighbor-bump: 2.79111 Ang K2.CB and P3.CD self-bump: 1.29962 Ang P3.N and P3.CD neighbor-bump: 2.33686 Ang K2.N and P3.CD neighbor-bump: 0.500238 Ang K2.C and P3.CD neighbor-bump: 2.71092 Ang K2.CA and P3.CG neighbor-bump: 1.14302 Ang K2.O and P3.CG self-bump: 2.15989 Ang P3.N and P3.CG neighbor-bump: 1.5293 Ang K2.C and P3.CG neighbor-bump: 1.6581 Ang K2.O and P3.CB neighbor-bump: 2.18028 Ang K2.C and P3.CB T0187 112 :ETVVHVKGN 1fukA 358 :VAINFVTNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 131 :LSAAIALEGIE 1fukA 368 :VGAMRELEKFY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.4668 Ang E9.O and E12.O T0187 142 :GVILCSAG 1fukA 381 :QIEELPSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 8 total=871 Number of alignments=178 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 44 :EIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 261 :QAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:1.73448 Ang K17.CD and I29.CD1 other bump:1.72028 Ang K17.CG and I29.CD1 other bump:2.88 Ang K17.CD and I29.CG2 other bump:0.86549 Ang K17.CD and I29.CG1 other bump:1.76573 Ang K17.CE and I29.CG1 other bump:2.63682 Ang K17.NZ and I29.CG1 other bump:2.06646 Ang K17.CG and I29.CG1 other bump:2.19598 Ang K17.CD and I29.CB other bump:2.68781 Ang K17.CE and I29.CB other bump:2.781 Ang K17.NZ and I29.CB other bump:2.32657 Ang S18.O and E22.OE2 other bump:2.55441 Ang L19.CA and E22.OE1 other bump:1.01305 Ang S18.O and E22.OE1 other bump:1.91662 Ang S18.C and E22.OE1 other bump:1.8363 Ang S18.O and E22.CD other bump:2.74048 Ang S18.C and E22.CD Number of specific fragments= 1 total=872 Number of alignments=179 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 10 :SEDALKVLEKYG 1fukA 247 :YECLTDLYDSIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:3.22322 Ang L9.CA and Y12.CE2 T0187 42 :NVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 259 :VTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.73448 Ang K19.CD and I31.CD1 other bump:1.72028 Ang K19.CG and I31.CD1 other bump:2.88 Ang K19.CD and I31.CG2 other bump:0.86549 Ang K19.CD and I31.CG1 other bump:1.76573 Ang K19.CE and I31.CG1 other bump:2.63682 Ang K19.NZ and I31.CG1 other bump:2.06646 Ang K19.CG and I31.CG1 other bump:2.19598 Ang K19.CD and I31.CB other bump:2.68781 Ang K19.CE and I31.CB other bump:2.781 Ang K19.NZ and I31.CB other bump:2.32657 Ang S20.O and E24.OE2 other bump:2.55441 Ang L21.CA and E24.OE1 other bump:1.01305 Ang S20.O and E24.OE1 other bump:1.91662 Ang S20.C and E24.OE1 other bump:1.8363 Ang S20.O and E24.CD other bump:2.74048 Ang S20.C and E24.CD neighbor-bump: 2.70941 Ang V3.CG2 and E4.N self-bump: 1.36653 Ang V3.CA and V3.CB T0187 89 :SIMKEVKFKD 1fukA 300 :TIMKEFRSGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 Number of specific fragments= 3 total=875 Number of alignments=180 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKDRPL 1fukA 300 :TIMKEFRSGSSRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.81873 Ang I3.C and R12.NH2 other bump:1.71251 Ang I3.CG2 and R12.NH2 other bump:2.55121 Ang I3.CG2 and R12.NH1 other bump:2.42531 Ang I3.CG2 and R12.CZ other bump:2.5224 Ang V7.CG2 and R12.NE other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 102 :KKP 1fukA 348 :GRG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.44128 Ang K3.CA and P4.CD neighbor-bump: 1.56036 Ang K3.O and P4.CD neighbor-bump: 2.79111 Ang K3.CB and P4.CD self-bump: 1.29962 Ang P4.N and P4.CD neighbor-bump: 2.33686 Ang K3.N and P4.CD neighbor-bump: 0.500238 Ang K3.C and P4.CD neighbor-bump: 2.71092 Ang K3.CA and P4.CG neighbor-bump: 1.14302 Ang K3.O and P4.CG self-bump: 2.15989 Ang P4.N and P4.CG neighbor-bump: 1.5293 Ang K3.C and P4.CG neighbor-bump: 1.6581 Ang K3.O and P4.CB neighbor-bump: 2.18028 Ang K3.C and P4.CB neighbor-bump: 2.92368 Ang K2.CG and K3.CB neighbor-bump: 2.88734 Ang K2.CG and K3.CA neighbor-bump: 2.3577 Ang K2.CB and K3.N neighbor-bump: 1.75278 Ang K2.CG and K3.N self-bump: 2.13804 Ang K2.CB and K2.C self-bump: 2.3144 Ang K2.CG and K2.C self-bump: 1.27153 Ang K2.CA and K2.CB T0187 112 :ETVVHVKGN 1fukA 358 :VAINFVTNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 131 :LSAAIALEGIEGVILCSAGT 1fukA 368 :VGAMRELEKFYSTQIEELPS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues self-bump: 2.21054 Ang T21.CB and T21.C other bump:2.4668 Ang E9.O and E12.O Number of specific fragments= 6 total=881 Number of alignments=181 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKDRPL 1fukA 300 :TIMKEFRSGSSRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.81873 Ang I3.C and R12.NH2 other bump:1.71251 Ang I3.CG2 and R12.NH2 other bump:2.55121 Ang I3.CG2 and R12.NH1 other bump:2.42531 Ang I3.CG2 and R12.CZ other bump:2.5224 Ang V7.CG2 and R12.NE other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 112 :ETVVHVKGN 1fukA 358 :VAINFVTNE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 131 :LSAAIALEGIE 1fukA 368 :VGAMRELEKFY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.4668 Ang E9.O and E12.O Number of specific fragments= 5 total=886 Number of alignments=182 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 44 :EIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 261 :QAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:1.73448 Ang K17.CD and I29.CD1 other bump:1.72028 Ang K17.CG and I29.CD1 other bump:2.88 Ang K17.CD and I29.CG2 other bump:0.86549 Ang K17.CD and I29.CG1 other bump:1.76573 Ang K17.CE and I29.CG1 other bump:2.63682 Ang K17.NZ and I29.CG1 other bump:2.06646 Ang K17.CG and I29.CG1 other bump:2.19598 Ang K17.CD and I29.CB other bump:2.68781 Ang K17.CE and I29.CB other bump:2.781 Ang K17.NZ and I29.CB other bump:2.32657 Ang S18.O and E22.OE2 other bump:2.55441 Ang L19.CA and E22.OE1 other bump:1.01305 Ang S18.O and E22.OE1 other bump:1.91662 Ang S18.C and E22.OE1 other bump:1.8363 Ang S18.O and E22.CD other bump:2.74048 Ang S18.C and E22.CD Number of specific fragments= 1 total=887 Number of alignments=183 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 18 :EKYGI 1fukA 255 :DSISV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues other bump:2.93192 Ang Y4.CE2 and I6.CG2 other bump:2.66151 Ang Y4.CD1 and I6.CG2 other bump:1.4443 Ang Y4.CE1 and I6.CG2 other bump:1.70025 Ang Y4.CZ and I6.CG2 other bump:1.95007 Ang Y4.OH and I6.CG2 other bump:2.88296 Ang Y4.CE1 and I6.CG1 other bump:2.62317 Ang Y4.CD1 and I6.CB other bump:1.81775 Ang Y4.CE1 and I6.CB other bump:2.8673 Ang Y4.CZ and I6.CB T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREA 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERDT Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:3.10375 Ang E29.CD and G43.CA other bump:2.03578 Ang E29.OE2 and G43.CA other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 90 :IMKEV 1fukA 301 :IMKEF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 3 total=890 Number of alignments=184 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKDRPL 1fukA 300 :TIMKEFRSGSSRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.81873 Ang I3.C and R12.NH2 other bump:1.71251 Ang I3.CG2 and R12.NH2 other bump:2.55121 Ang I3.CG2 and R12.NH1 other bump:2.42531 Ang I3.CG2 and R12.CZ other bump:2.5224 Ang V7.CG2 and R12.NE other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 131 :LSAAIALEGIEGVILCSAGT 1fukA 368 :VGAMRELEKFYSTQIEELPS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues self-bump: 2.21054 Ang T21.CB and T21.C other bump:2.4668 Ang E9.O and E12.O Number of specific fragments= 4 total=894 Number of alignments=185 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGI 1fukA 242 :EEEYKYECLTDLYDSISV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.66152 Ang Y17.CD1 and I19.CG2 other bump:1.44431 Ang Y17.CE1 and I19.CG2 other bump:2.93193 Ang Y17.CE2 and I19.CG2 other bump:1.70026 Ang Y17.CZ and I19.CG2 other bump:1.95007 Ang Y17.OH and I19.CG2 other bump:2.88296 Ang Y17.CE1 and I19.CG1 other bump:2.62318 Ang Y17.CD1 and I19.CB other bump:1.81776 Ang Y17.CE1 and I19.CB other bump:2.86731 Ang Y17.CZ and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 43 :VEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 260 :TQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:1.73448 Ang K18.CD and I30.CD1 other bump:1.72028 Ang K18.CG and I30.CD1 other bump:2.88 Ang K18.CD and I30.CG2 other bump:0.86549 Ang K18.CD and I30.CG1 other bump:1.76573 Ang K18.CE and I30.CG1 other bump:2.63682 Ang K18.NZ and I30.CG1 other bump:2.06646 Ang K18.CG and I30.CG1 other bump:2.19598 Ang K18.CD and I30.CB other bump:2.68781 Ang K18.CE and I30.CB other bump:2.781 Ang K18.NZ and I30.CB other bump:2.32657 Ang S19.O and E23.OE2 other bump:2.55441 Ang L20.CA and E23.OE1 other bump:1.01305 Ang S19.O and E23.OE1 other bump:1.91662 Ang S19.C and E23.OE1 other bump:1.8363 Ang S19.O and E23.CD other bump:2.74048 Ang S19.C and E23.CD T0187 89 :SIMKEVKFKDR 1fukA 300 :TIMKEFRSGSS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.35983 Ang I3.CG2 and R12.NH2 other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 T0187 101 :L 1fukA 311 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 119 :GNGIG 1fukA 346 :RIGRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues self-bump: 2.19779 Ang N3.CB and N3.C T0187 131 :LSAAIALEGIE 1fukA 368 :VGAMRELEKFY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.4668 Ang E9.O and E12.O T0187 142 :GVILCSAG 1fukA 381 :QIEELPSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 7 total=901 Number of alignments=186 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGIET 1fukA 242 :EEEYKYECLTDLYDSISVTQ Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues self-bump: 1.3304 Ang E20.CA and E20.CB other bump:1.79547 Ang Y17.CE1 and I19.CD1 other bump:2.73441 Ang Y17.CE2 and I19.CD1 other bump:1.41498 Ang Y17.CZ and I19.CD1 other bump:1.04571 Ang Y17.OH and I19.CD1 other bump:1.70416 Ang Y17.CD1 and I19.CG2 other bump:1.75857 Ang Y17.CE1 and I19.CG2 other bump:3.14155 Ang Y17.CZ and I19.CG2 other bump:2.69871 Ang Y17.CD1 and I19.CG1 other bump:1.46204 Ang Y17.CE1 and I19.CG1 other bump:3.0884 Ang Y17.CE2 and I19.CG1 other bump:1.82052 Ang Y17.CZ and I19.CG1 other bump:2.01915 Ang Y17.OH and I19.CG1 other bump:2.61548 Ang Y17.CD1 and I19.CB other bump:1.88425 Ang Y17.CE1 and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 45 :IHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLD 1fukA 262 :AVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLP Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:1.72028 Ang K16.CG and I28.CD1 other bump:1.73448 Ang K16.CD and I28.CD1 other bump:2.88 Ang K16.CD and I28.CG2 other bump:2.06646 Ang K16.CG and I28.CG1 other bump:0.86549 Ang K16.CD and I28.CG1 other bump:1.76573 Ang K16.CE and I28.CG1 other bump:2.63682 Ang K16.NZ and I28.CG1 other bump:2.19598 Ang K16.CD and I28.CB other bump:2.68781 Ang K16.CE and I28.CB other bump:2.781 Ang K16.NZ and I28.CB other bump:2.32657 Ang S17.O and E21.OE2 other bump:2.55441 Ang L18.CA and E21.OE1 other bump:1.01305 Ang S17.O and E21.OE1 other bump:1.91662 Ang S17.C and E21.OE1 other bump:1.8363 Ang S17.O and E21.CD other bump:2.74048 Ang S17.C and E21.CD T0187 85 :RFIASIMKEVKFKDRPL 1fukA 295 :QQERDTIMKEFRSGSSR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.20521 Ang V11.O and P17.CD other bump:2.87346 Ang V11.C and P17.CD other bump:2.61232 Ang V11.CG1 and P17.CD other bump:3.16279 Ang V11.C and P17.CG other bump:2.686 Ang V11.CG1 and P17.CG other bump:2.63766 Ang V11.CG2 and R16.NH2 other bump:2.83974 Ang F3.CZ and I7.CD1 other bump:3.17313 Ang R2.CZ and S6.OG T0187 102 :KKPAALIFG 1fukA 327 :QVSLVINYD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.21676 Ang I8.CG2 and G10.C other bump:2.08221 Ang I8.CG2 and G10.O T0187 117 :VKGN 1fukA 336 :LPAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 121 :GIG 1fukA 348 :GRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 128 :ELALSAAIAL 1fukA 368 :VGAMRELEKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 140 :IE 1fukA 378 :YS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 2.65009 Ang I2.CG2 and E3.N T0187 142 :GVILCSAGT 1fukA 381 :QIEELPSDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 9 total=910 Number of alignments=187 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 5 :PDSSTSEDALKVLEKYGIET 1fukA 242 :EEEYKYECLTDLYDSISVTQ Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues self-bump: 1.3304 Ang E20.CA and E20.CB other bump:1.79547 Ang Y17.CE1 and I19.CD1 other bump:2.73441 Ang Y17.CE2 and I19.CD1 other bump:1.41498 Ang Y17.CZ and I19.CD1 other bump:1.04571 Ang Y17.OH and I19.CD1 other bump:1.70416 Ang Y17.CD1 and I19.CG2 other bump:1.75857 Ang Y17.CE1 and I19.CG2 other bump:3.14155 Ang Y17.CZ and I19.CG2 other bump:2.69871 Ang Y17.CD1 and I19.CG1 other bump:1.46204 Ang Y17.CE1 and I19.CG1 other bump:3.0884 Ang Y17.CE2 and I19.CG1 other bump:1.82052 Ang Y17.CZ and I19.CG1 other bump:2.01915 Ang Y17.OH and I19.CG1 other bump:2.61548 Ang Y17.CD1 and I19.CB other bump:1.88425 Ang Y17.CE1 and I19.CB other bump:3.22322 Ang L14.CA and Y17.CE2 T0187 45 :IHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLD 1fukA 262 :AVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLP Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:1.72028 Ang K16.CG and I28.CD1 other bump:1.73448 Ang K16.CD and I28.CD1 other bump:2.88 Ang K16.CD and I28.CG2 other bump:2.06646 Ang K16.CG and I28.CG1 other bump:0.86549 Ang K16.CD and I28.CG1 other bump:1.76573 Ang K16.CE and I28.CG1 other bump:2.63682 Ang K16.NZ and I28.CG1 other bump:2.19598 Ang K16.CD and I28.CB other bump:2.68781 Ang K16.CE and I28.CB other bump:2.781 Ang K16.NZ and I28.CB other bump:2.32657 Ang S17.O and E21.OE2 other bump:2.55441 Ang L18.CA and E21.OE1 other bump:1.01305 Ang S17.O and E21.OE1 other bump:1.91662 Ang S17.C and E21.OE1 other bump:1.8363 Ang S17.O and E21.CD other bump:2.74048 Ang S17.C and E21.CD T0187 85 :RFIASIMKEVKFKDRPL 1fukA 295 :QQERDTIMKEFRSGSSR Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.20521 Ang V11.O and P17.CD other bump:2.87346 Ang V11.C and P17.CD other bump:2.61232 Ang V11.CG1 and P17.CD other bump:3.16279 Ang V11.C and P17.CG other bump:2.686 Ang V11.CG1 and P17.CG other bump:2.63766 Ang V11.CG2 and R16.NH2 other bump:2.83974 Ang F3.CZ and I7.CD1 other bump:3.17313 Ang R2.CZ and S6.OG T0187 102 :KKPAALIFG 1fukA 327 :QVSLVINYD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.21676 Ang I8.CG2 and G10.C other bump:2.08221 Ang I8.CG2 and G10.O T0187 117 :VKGN 1fukA 336 :LPAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 121 :GIG 1fukA 348 :GRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 128 :ELALSAAIAL 1fukA 368 :VGAMRELEKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 140 :IE 1fukA 378 :YS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues neighbor-bump: 2.65009 Ang I2.CG2 and E3.N T0187 142 :GVILCSAGT 1fukA 381 :QIEELPSDI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 9 total=919 Number of alignments=188 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 44 :EIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 261 :QAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:1.73448 Ang K17.CD and I29.CD1 other bump:1.72028 Ang K17.CG and I29.CD1 other bump:2.88 Ang K17.CD and I29.CG2 other bump:0.86549 Ang K17.CD and I29.CG1 other bump:1.76573 Ang K17.CE and I29.CG1 other bump:2.63682 Ang K17.NZ and I29.CG1 other bump:2.06646 Ang K17.CG and I29.CG1 other bump:2.19598 Ang K17.CD and I29.CB other bump:2.68781 Ang K17.CE and I29.CB other bump:2.781 Ang K17.NZ and I29.CB other bump:2.32657 Ang S18.O and E22.OE2 other bump:2.55441 Ang L19.CA and E22.OE1 other bump:1.01305 Ang S18.O and E22.OE1 other bump:1.91662 Ang S18.C and E22.OE1 other bump:1.8363 Ang S18.O and E22.CD other bump:2.74048 Ang S18.C and E22.CD Number of specific fragments= 1 total=920 Number of alignments=189 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 9 :TSEDALKVLEKYG 1fukA 246 :KYECLTDLYDSIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.22322 Ang L10.CA and Y13.CE2 T0187 42 :NVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 259 :VTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.73448 Ang K19.CD and I31.CD1 other bump:1.72028 Ang K19.CG and I31.CD1 other bump:2.88 Ang K19.CD and I31.CG2 other bump:0.86549 Ang K19.CD and I31.CG1 other bump:1.76573 Ang K19.CE and I31.CG1 other bump:2.63682 Ang K19.NZ and I31.CG1 other bump:2.06646 Ang K19.CG and I31.CG1 other bump:2.19598 Ang K19.CD and I31.CB other bump:2.68781 Ang K19.CE and I31.CB other bump:2.781 Ang K19.NZ and I31.CB other bump:2.32657 Ang S20.O and E24.OE2 other bump:2.55441 Ang L21.CA and E24.OE1 other bump:1.01305 Ang S20.O and E24.OE1 other bump:1.91662 Ang S20.C and E24.OE1 other bump:1.8363 Ang S20.O and E24.CD other bump:2.74048 Ang S20.C and E24.CD neighbor-bump: 2.70941 Ang V3.CG2 and E4.N self-bump: 1.36653 Ang V3.CA and V3.CB T0187 89 :SIMKEVKFK 1fukA 300 :TIMKEFRSG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 Number of specific fragments= 3 total=923 Number of alignments=190 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 44 :EIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 261 :QAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 41 residues other bump:1.73448 Ang K17.CD and I29.CD1 other bump:1.72028 Ang K17.CG and I29.CD1 other bump:2.88 Ang K17.CD and I29.CG2 other bump:0.86549 Ang K17.CD and I29.CG1 other bump:1.76573 Ang K17.CE and I29.CG1 other bump:2.63682 Ang K17.NZ and I29.CG1 other bump:2.06646 Ang K17.CG and I29.CG1 other bump:2.19598 Ang K17.CD and I29.CB other bump:2.68781 Ang K17.CE and I29.CB other bump:2.781 Ang K17.NZ and I29.CB other bump:2.32657 Ang S18.O and E22.OE2 other bump:2.55441 Ang L19.CA and E22.OE1 other bump:1.01305 Ang S18.O and E22.OE1 other bump:1.91662 Ang S18.C and E22.OE1 other bump:1.8363 Ang S18.O and E22.CD other bump:2.74048 Ang S18.C and E22.CD Number of specific fragments= 1 total=924 Number of alignments=191 # Reading fragments from alignment file # T0187 read from T0187-1fukA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 9 :TSEDALKVLEKYG 1fukA 246 :KYECLTDLYDSIS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:3.22322 Ang L10.CA and Y13.CE2 T0187 42 :NVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 259 :VTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:1.73448 Ang K19.CD and I31.CD1 other bump:1.72028 Ang K19.CG and I31.CD1 other bump:2.88 Ang K19.CD and I31.CG2 other bump:0.86549 Ang K19.CD and I31.CG1 other bump:1.76573 Ang K19.CE and I31.CG1 other bump:2.63682 Ang K19.NZ and I31.CG1 other bump:2.06646 Ang K19.CG and I31.CG1 other bump:2.19598 Ang K19.CD and I31.CB other bump:2.68781 Ang K19.CE and I31.CB other bump:2.781 Ang K19.NZ and I31.CB other bump:2.32657 Ang S20.O and E24.OE2 other bump:2.55441 Ang L21.CA and E24.OE1 other bump:1.01305 Ang S20.O and E24.OE1 other bump:1.91662 Ang S20.C and E24.OE1 other bump:1.8363 Ang S20.O and E24.CD other bump:2.74048 Ang S20.C and E24.CD neighbor-bump: 2.70941 Ang V3.CG2 and E4.N self-bump: 1.36653 Ang V3.CA and V3.CB T0187 89 :SIMKEVKFK 1fukA 300 :TIMKEFRSG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 Number of specific fragments= 3 total=927 Number of alignments=192 # Reading fragments from alignment file # T0187 read from T0187-1fukA-local-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-local-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 121 :GIG 1fukA 348 :GRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 131 :LSA 1fukA 358 :VAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 2 total=929 Number of alignments=193 # Reading fragments from alignment file # T0187 read from T0187-1fukA-local-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-local-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 60 :SL 1fukA 303 :KE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 63 :KEKGFNAEIITTSLDCEAREAGRFIASIMKE 1fukA 305 :FRSGSSRILISTDLLARGIDVQQVSLVINYD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.09616 Ang K2.NZ and F25.CE2 other bump:2.73275 Ang G23.N and F25.CE1 other bump:2.74814 Ang G23.N and F25.CD1 other bump:2.82192 Ang K2.CD and I10.CD1 other bump:2.88114 Ang K2.CD and I10.CG2 other bump:2.48477 Ang K2.NZ and I10.CG2 other bump:2.08229 Ang K2.CE and I10.CG2 other bump:3.19633 Ang K2.CD and I10.CG1 other bump:2.54683 Ang K2.CD and I10.CB other bump:2.80598 Ang K2.NZ and I10.CB other bump:1.6821 Ang K2.CE and I10.CB other bump:2.54711 Ang K2.CE and I10.CA other bump:2.64595 Ang K2.CE and I10.N other bump:2.64474 Ang N7.OD1 and E9.C other bump:2.01331 Ang N7.OD1 and E9.O other bump:3.14317 Ang K4.NZ and F6.CE2 Number of specific fragments= 2 total=931 Number of alignments=194 # Reading fragments from alignment file # T0187 read from T0187-1fukA-simpleSW-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 26 :ESVKRAILQETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 243 :EEYKYECLTDLYDSISVTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:1.72028 Ang K35.CG and I47.CD1 other bump:1.73448 Ang K35.CD and I47.CD1 other bump:2.88 Ang K35.CD and I47.CG2 other bump:2.06646 Ang K35.CG and I47.CG1 other bump:0.86549 Ang K35.CD and I47.CG1 other bump:1.76573 Ang K35.CE and I47.CG1 other bump:2.63682 Ang K35.NZ and I47.CG1 other bump:2.19598 Ang K35.CD and I47.CB other bump:2.68781 Ang K35.CE and I47.CB other bump:2.781 Ang K35.NZ and I47.CB other bump:1.98412 Ang R6.NE and K41.NZ other bump:1.11851 Ang R6.CZ and K41.NZ other bump:2.11806 Ang R6.NH1 and K41.NZ other bump:0.768318 Ang R6.NH2 and K41.NZ other bump:2.97217 Ang R6.NE and K41.CE other bump:1.99481 Ang R6.CZ and K41.CE other bump:2.78216 Ang R6.NH1 and K41.CE other bump:0.785762 Ang R6.NH2 and K41.CE other bump:3.04234 Ang R6.NE and K41.CD other bump:2.66865 Ang R6.CZ and K41.CD other bump:1.82603 Ang R6.NH2 and K41.CD other bump:2.32657 Ang S36.O and E40.OE2 other bump:2.55441 Ang L37.CA and E40.OE1 other bump:1.01305 Ang S36.O and E40.OE1 other bump:1.91662 Ang S36.C and E40.OE1 other bump:1.8363 Ang S36.O and E40.CD other bump:2.74048 Ang S36.C and E40.CD neighbor-bump: 2.70941 Ang V19.CG2 and E20.N self-bump: 1.36653 Ang V19.CA and V19.CB neighbor-bump: 2.64239 Ang T12.N and P13.CD other bump:1.35737 Ang L9.O and P13.CD other bump:2.5045 Ang L9.C and P13.CD other bump:3.20265 Ang Q10.CA and P13.CD other bump:2.8649 Ang Q10.C and P13.CD other bump:1.79771 Ang L9.O and P13.CG other bump:2.82412 Ang L9.C and P13.CG other bump:2.37338 Ang R6.NH1 and Q10.CB T0187 89 :SIMKEVK 1fukA 300 :TIMKEFR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues Number of specific fragments= 2 total=933 Number of alignments=195 # Reading fragments from alignment file # T0187 read from T0187-1fukA-simpleSW-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 26 :ESVKRAILQETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1fukA 243 :EEYKYECLTDLYDSISVTQAVIFCNTRRKVEELTTKLRNDKFTVSAIYSDLPQQERD Fragment has 37 clashes (null) has 37 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:1.72028 Ang K35.CG and I47.CD1 other bump:1.73448 Ang K35.CD and I47.CD1 other bump:2.88 Ang K35.CD and I47.CG2 other bump:2.06646 Ang K35.CG and I47.CG1 other bump:0.86549 Ang K35.CD and I47.CG1 other bump:1.76573 Ang K35.CE and I47.CG1 other bump:2.63682 Ang K35.NZ and I47.CG1 other bump:2.19598 Ang K35.CD and I47.CB other bump:2.68781 Ang K35.CE and I47.CB other bump:2.781 Ang K35.NZ and I47.CB other bump:1.98412 Ang R6.NE and K41.NZ other bump:1.11851 Ang R6.CZ and K41.NZ other bump:2.11806 Ang R6.NH1 and K41.NZ other bump:0.768318 Ang R6.NH2 and K41.NZ other bump:2.97217 Ang R6.NE and K41.CE other bump:1.99481 Ang R6.CZ and K41.CE other bump:2.78216 Ang R6.NH1 and K41.CE other bump:0.785762 Ang R6.NH2 and K41.CE other bump:3.04234 Ang R6.NE and K41.CD other bump:2.66865 Ang R6.CZ and K41.CD other bump:1.82603 Ang R6.NH2 and K41.CD other bump:2.32657 Ang S36.O and E40.OE2 other bump:2.55441 Ang L37.CA and E40.OE1 other bump:1.01305 Ang S36.O and E40.OE1 other bump:1.91662 Ang S36.C and E40.OE1 other bump:1.8363 Ang S36.O and E40.CD other bump:2.74048 Ang S36.C and E40.CD neighbor-bump: 2.70941 Ang V19.CG2 and E20.N self-bump: 1.36653 Ang V19.CA and V19.CB neighbor-bump: 2.64239 Ang T12.N and P13.CD other bump:1.35737 Ang L9.O and P13.CD other bump:2.5045 Ang L9.C and P13.CD other bump:3.20265 Ang Q10.CA and P13.CD other bump:2.8649 Ang Q10.C and P13.CD other bump:1.79771 Ang L9.O and P13.CG other bump:2.82412 Ang L9.C and P13.CG other bump:2.37338 Ang R6.NH1 and Q10.CB T0187 89 :SIMKEVKFKD 1fukA 300 :TIMKEFRSGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:3.00147 Ang K5.CB and F9.CE1 other bump:2.06299 Ang K5.O and F9.CD1 Number of specific fragments= 2 total=935 Number of alignments=196 # Reading fragments from alignment file # T0187 read from T0187-1fukA-vit-adpstyle1.pw.a2m.gz # 1fukA read from T0187-1fukA-vit-adpstyle1.pw.a2m.gz # found chain 1fukA in template set T0187 121 :GIG 1fukA 348 :GRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 131 :LSA 1fukA 358 :VAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 2 total=937 Number of alignments=197 # Reading fragments from alignment file # T0187 read from T0187-1fukA-vit-adpstyle5.pw.a2m.gz # 1fukA read from T0187-1fukA-vit-adpstyle5.pw.a2m.gz # found chain 1fukA in template set T0187 60 :SL 1fukA 303 :KE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 63 :KEKGFNAEIITTSLDCEAREAGRFIASIMKE 1fukA 305 :FRSGSSRILISTDLLARGIDVQQVSLVINYD Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 33 residues other bump:3.09616 Ang K2.NZ and F25.CE2 other bump:2.73275 Ang G23.N and F25.CE1 other bump:2.74814 Ang G23.N and F25.CD1 other bump:2.82192 Ang K2.CD and I10.CD1 other bump:2.88114 Ang K2.CD and I10.CG2 other bump:2.48477 Ang K2.NZ and I10.CG2 other bump:2.08229 Ang K2.CE and I10.CG2 other bump:3.19633 Ang K2.CD and I10.CG1 other bump:2.54683 Ang K2.CD and I10.CB other bump:2.80598 Ang K2.NZ and I10.CB other bump:1.6821 Ang K2.CE and I10.CB other bump:2.54711 Ang K2.CE and I10.CA other bump:2.64595 Ang K2.CE and I10.N other bump:2.64474 Ang N7.OD1 and E9.C other bump:2.01331 Ang N7.OD1 and E9.O other bump:3.14317 Ang K4.NZ and F6.CE2 Number of specific fragments= 2 total=939 Number of alignments=198 # Prefix for input files set to 1akr/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1akr-T0187-local-adpstyle1.pw.a2m.gz # 1akr read from 1akr-T0187-local-adpstyle1.pw.a2m.gz # adding 1akr to template set 1akr:# found chain 1akr in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEII 1akr 12 :TGNTEYTAETIARELADAGYEVDSR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.33219 Ang K13.CG and I25.CD1 other bump:0.775196 Ang K13.CD and I25.CD1 other bump:2.23505 Ang K13.CE and I25.CD1 other bump:1.98009 Ang K13.CB and I25.CD1 other bump:0.329746 Ang K13.NZ and I25.CG2 other bump:2.35379 Ang K13.CD and I25.CG2 other bump:1.24781 Ang K13.CE and I25.CG2 other bump:2.73512 Ang K13.NZ and I25.CG1 other bump:2.14497 Ang K13.CG and I25.CG1 other bump:1.45429 Ang K13.CD and I25.CG1 other bump:1.67355 Ang K13.CE and I25.CG1 other bump:1.65388 Ang K13.NZ and I25.CB other bump:2.17766 Ang K13.CD and I25.CB other bump:1.5385 Ang K13.CE and I25.CB other bump:2.69129 Ang K13.NZ and I25.CA other bump:2.62093 Ang K13.CE and I25.CA Number of specific fragments= 1 total=940 Number of alignments=199 # Reading fragments from alignment file # T0187 read from 1akr-T0187-local-adpstyle5.pw.a2m.gz # 1akr read from 1akr-T0187-local-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEV 1akr 3 :KALIVYGSTTGNTEYTAETIARELADA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.12319 Ang M25.CA and V28.CG2 other bump:2.34132 Ang M25.O and V28.CG2 other bump:3.0291 Ang M25.C and V28.CG2 other bump:2.46927 Ang A3.CB and M25.CE other bump:2.0267 Ang C12.SG and R15.NH2 other bump:2.70958 Ang C12.CB and R15.NH2 other bump:3.06592 Ang C12.SG and R15.CZ Number of specific fragments= 1 total=941 Number of alignments=200 # Reading fragments from alignment file # T0187 read from 1akr-T0187-vit-adpstyle1.pw.a2m.gz # 1akr read from 1akr-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEII 1akr 12 :TGNTEYTAETIARELADAGYEVDSR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:1.33219 Ang K13.CG and I25.CD1 other bump:0.775196 Ang K13.CD and I25.CD1 other bump:2.23505 Ang K13.CE and I25.CD1 other bump:1.98009 Ang K13.CB and I25.CD1 other bump:0.329746 Ang K13.NZ and I25.CG2 other bump:2.35379 Ang K13.CD and I25.CG2 other bump:1.24781 Ang K13.CE and I25.CG2 other bump:2.73512 Ang K13.NZ and I25.CG1 other bump:2.14497 Ang K13.CG and I25.CG1 other bump:1.45429 Ang K13.CD and I25.CG1 other bump:1.67355 Ang K13.CE and I25.CG1 other bump:1.65388 Ang K13.NZ and I25.CB other bump:2.17766 Ang K13.CD and I25.CB other bump:1.5385 Ang K13.CE and I25.CB other bump:2.69129 Ang K13.NZ and I25.CA other bump:2.62093 Ang K13.CE and I25.CA Number of specific fragments= 1 total=942 Number of alignments=201 # Reading fragments from alignment file # T0187 read from 1akr-T0187-vit-adpstyle5.pw.a2m.gz # 1akr read from 1akr-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 68 :NAEIITTSLDCEAREAGRFIASIMKEV 1akr 3 :KALIVYGSTTGNTEYTAETIARELADA Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.12319 Ang M25.CA and V28.CG2 other bump:2.34132 Ang M25.O and V28.CG2 other bump:3.0291 Ang M25.C and V28.CG2 other bump:2.46927 Ang A3.CB and M25.CE other bump:2.0267 Ang C12.SG and R15.NH2 other bump:2.70958 Ang C12.CB and R15.NH2 other bump:3.06592 Ang C12.SG and R15.CZ Number of specific fragments= 1 total=943 Number of alignments=202 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 1 :GPAW 1akr 2 :PKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1akr 14 :NTEYTAETIARELADAGYEVDSRDAASVE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.94523 Ang L11.CD1 and E23.OE2 other bump:2.27355 Ang L11.CD1 and E23.OE1 other bump:2.16679 Ang L11.CD1 and E23.CD other bump:2.35794 Ang L11.CD1 and E23.CG other bump:2.27028 Ang L11.CD1 and E23.CB T0187 34 :QETPKHLSNVEIHLIGNVQK 1akr 79 :EETGAQGRKVACFGCGDSSY Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFK 1akr 104 :AVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.48502 Ang E18.O and K45.CD other bump:2.76155 Ang I19.CG1 and K45.CD other bump:2.60484 Ang K40.CG and F44.CZ other bump:2.33215 Ang K40.CG and F44.CE2 other bump:3.03355 Ang K40.CA and F44.CE2 other bump:3.10432 Ang K40.CB and F44.CE2 other bump:2.41799 Ang K40.C and F44.CE2 other bump:1.85026 Ang K40.O and F44.CE2 other bump:2.53535 Ang K40.C and F44.CD2 other bump:3.11063 Ang E41.CA and F44.CD2 other bump:1.59211 Ang K40.O and F44.CD2 other bump:2.50814 Ang I19.CD1 and V42.CG1 other bump:2.57629 Ang I19.CD1 and V42.CB other bump:2.34199 Ang I19.CD1 and V42.CA other bump:2.72207 Ang I19.CD1 and V42.N other bump:2.75702 Ang T22.CG2 and I38.CD1 other bump:2.80023 Ang T22.OG1 and I38.CD1 other bump:2.51741 Ang T22.OG1 and I38.CG2 neighbor-bump: 2.43504 Ang C26.CB and E27.N self-bump: 2.20363 Ang C26.CB and C26.C self-bump: 1.2776 Ang C26.CA and C26.CB other bump:2.50886 Ang K7.CD and T21.OG1 other bump:2.88878 Ang K13.CE and F15.CZ other bump:2.48611 Ang K13.NZ and F15.CZ other bump:3.23566 Ang A10.CA and F15.CE2 other bump:3.10427 Ang K13.CB and F15.CE2 other bump:2.43626 Ang K13.NZ and F15.CE2 other bump:2.74913 Ang A10.CA and F15.CD2 other bump:2.4038 Ang A10.O and F15.CD2 other bump:2.90527 Ang A10.C and F15.CD2 Number of specific fragments= 4 total=947 Number of alignments=203 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 1 :GPAW 1akr 2 :PKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSSTSEDALKVLEKYGIE 1akr 14 :NTEYTAETIARELADAGYE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues T0187 27 :SVKRAIL 1akr 36 :RDAASVE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 34 :QETPKHLSNVEIHLIGNVQK 1akr 79 :EETGAQGRKVACFGCGDSSY Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFK 1akr 104 :AVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.48502 Ang E18.O and K45.CD other bump:2.76155 Ang I19.CG1 and K45.CD other bump:2.60484 Ang K40.CG and F44.CZ other bump:2.33215 Ang K40.CG and F44.CE2 other bump:3.03355 Ang K40.CA and F44.CE2 other bump:3.10432 Ang K40.CB and F44.CE2 other bump:2.41799 Ang K40.C and F44.CE2 other bump:1.85026 Ang K40.O and F44.CE2 other bump:2.53535 Ang K40.C and F44.CD2 other bump:3.11063 Ang E41.CA and F44.CD2 other bump:1.59211 Ang K40.O and F44.CD2 other bump:2.50814 Ang I19.CD1 and V42.CG1 other bump:2.57629 Ang I19.CD1 and V42.CB other bump:2.34199 Ang I19.CD1 and V42.CA other bump:2.72207 Ang I19.CD1 and V42.N other bump:2.75702 Ang T22.CG2 and I38.CD1 other bump:2.80023 Ang T22.OG1 and I38.CD1 other bump:2.51741 Ang T22.OG1 and I38.CG2 neighbor-bump: 2.43504 Ang C26.CB and E27.N self-bump: 2.20363 Ang C26.CB and C26.C self-bump: 1.2776 Ang C26.CA and C26.CB other bump:2.50886 Ang K7.CD and T21.OG1 other bump:2.88878 Ang K13.CE and F15.CZ other bump:2.48611 Ang K13.NZ and F15.CZ other bump:3.23566 Ang A10.CA and F15.CE2 other bump:3.10427 Ang K13.CB and F15.CE2 other bump:2.43626 Ang K13.NZ and F15.CE2 other bump:2.74913 Ang A10.CA and F15.CD2 other bump:2.4038 Ang A10.O and F15.CD2 other bump:2.90527 Ang A10.C and F15.CD2 Number of specific fragments= 5 total=952 Number of alignments=204 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 104 :AVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.50814 Ang I19.CD1 and V42.CG1 other bump:2.57629 Ang I19.CD1 and V42.CB other bump:2.34199 Ang I19.CD1 and V42.CA other bump:2.72207 Ang I19.CD1 and V42.N other bump:2.75702 Ang T22.CG2 and I38.CD1 other bump:2.80023 Ang T22.OG1 and I38.CD1 other bump:2.51741 Ang T22.OG1 and I38.CG2 neighbor-bump: 2.43504 Ang C26.CB and E27.N self-bump: 2.20363 Ang C26.CB and C26.C self-bump: 1.2776 Ang C26.CA and C26.CB other bump:2.50886 Ang K7.CD and T21.OG1 other bump:2.88878 Ang K13.CE and F15.CZ other bump:2.48611 Ang K13.NZ and F15.CZ other bump:3.23566 Ang A10.CA and F15.CE2 other bump:3.10427 Ang K13.CB and F15.CE2 other bump:2.43626 Ang K13.NZ and F15.CE2 other bump:2.74913 Ang A10.CA and F15.CD2 other bump:2.4038 Ang A10.O and F15.CD2 other bump:2.90527 Ang A10.C and F15.CD2 Number of specific fragments= 1 total=953 Number of alignments=205 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 7 :SS 1akr 63 :DS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 22 :IETSESVKRAIL 1akr 65 :IELQDDFIPLFD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.59533 Ang I2.CG2 and K9.CE other bump:2.4365 Ang I2.CD1 and T4.OG1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 4 total=957 Number of alignments=206 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 1 :GPAW 1akr 2 :PKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSS 1akr 9 :GSTT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues other bump:2.3558 Ang D3.OD1 and G6.CA other bump:1.98307 Ang D3.OD1 and G6.N self-bump: 1.39725 Ang S4.CA and S4.CB T0187 9 :TSEDALKVLEKYGIETSESVKRAIL 1akr 18 :TAETIARELADAGYEVDSRDAASVE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.94523 Ang L7.CD1 and E19.OE2 other bump:2.27355 Ang L7.CD1 and E19.OE1 other bump:2.16679 Ang L7.CD1 and E19.CD other bump:2.35794 Ang L7.CD1 and E19.CG other bump:2.27028 Ang L7.CD1 and E19.CB T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.48502 Ang E19.O and K46.CD other bump:2.76155 Ang I20.CG1 and K46.CD other bump:2.60484 Ang K41.CG and F45.CZ other bump:2.33215 Ang K41.CG and F45.CE2 other bump:3.03355 Ang K41.CA and F45.CE2 other bump:3.10432 Ang K41.CB and F45.CE2 other bump:2.41799 Ang K41.C and F45.CE2 other bump:1.85026 Ang K41.O and F45.CE2 other bump:2.53535 Ang K41.C and F45.CD2 other bump:3.11063 Ang E42.CA and F45.CD2 other bump:1.59211 Ang K41.O and F45.CD2 other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 5 total=962 Number of alignments=207 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 1 :GPAW 1akr 2 :PKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 7 :SS 1akr 11 :TT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 9 :TSEDALKVLEKYGIETSESVKRAIL 1akr 18 :TAETIARELADAGYEVDSRDAASVE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:2.94523 Ang L7.CD1 and E19.OE2 other bump:2.27355 Ang L7.CD1 and E19.OE1 other bump:2.16679 Ang L7.CD1 and E19.CD other bump:2.35794 Ang L7.CD1 and E19.CG other bump:2.27028 Ang L7.CD1 and E19.CB T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.48502 Ang E19.O and K46.CD other bump:2.76155 Ang I20.CG1 and K46.CD other bump:2.60484 Ang K41.CG and F45.CZ other bump:2.33215 Ang K41.CG and F45.CE2 other bump:3.03355 Ang K41.CA and F45.CE2 other bump:3.10432 Ang K41.CB and F45.CE2 other bump:2.41799 Ang K41.C and F45.CE2 other bump:1.85026 Ang K41.O and F45.CE2 other bump:2.53535 Ang K41.C and F45.CD2 other bump:3.11063 Ang E42.CA and F45.CD2 other bump:1.59211 Ang K41.O and F45.CD2 other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 5 total=967 Number of alignments=208 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 3 :AWPDSS 1akr 59 :TWADDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 22 :IETSESVKRAIL 1akr 65 :IELQDDFIPLFD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.59533 Ang I2.CG2 and K9.CE other bump:2.4365 Ang I2.CD1 and T4.OG1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 4 total=971 Number of alignments=209 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 4 :WPDSS 1akr 60 :WADDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 22 :IETSESVKRAIL 1akr 65 :IELQDDFIPLFD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.59533 Ang I2.CG2 and K9.CE other bump:2.4365 Ang I2.CD1 and T4.OG1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKF 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRG Fragment has 28 clashes (null) has 28 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.60485 Ang K41.CG and F45.CZ other bump:2.33215 Ang K41.CG and F45.CE2 other bump:3.03356 Ang K41.CA and F45.CE2 other bump:3.10432 Ang K41.CB and F45.CE2 other bump:2.418 Ang K41.C and F45.CE2 other bump:1.85026 Ang K41.O and F45.CE2 other bump:2.53535 Ang K41.C and F45.CD2 other bump:3.11063 Ang E42.CA and F45.CD2 other bump:1.59211 Ang K41.O and F45.CD2 other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 4 total=975 Number of alignments=210 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 1 :G 1akr 2 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWPDSSTSEDALKVLEKYGIETSESVKRAIL 1akr 11 :TTGNTEYTAETIARELADAGYEVDSRDAASVE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 34 residues other bump:2.94523 Ang L14.CD1 and E26.OE2 other bump:2.27355 Ang L14.CD1 and E26.OE1 other bump:2.16679 Ang L14.CD1 and E26.CD other bump:2.35794 Ang L14.CD1 and E26.CG other bump:2.27028 Ang L14.CD1 and E26.CB other bump:2.86975 Ang A3.C and P5.CD neighbor-bump: 2.63697 Ang W4.N and P5.CD neighbor-bump: 2.62565 Ang A3.O and W4.CD1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.48502 Ang E19.O and K46.CD other bump:2.76155 Ang I20.CG1 and K46.CD other bump:2.60484 Ang K41.CG and F45.CZ other bump:2.33215 Ang K41.CG and F45.CE2 other bump:3.03355 Ang K41.CA and F45.CE2 other bump:3.10432 Ang K41.CB and F45.CE2 other bump:2.41799 Ang K41.C and F45.CE2 other bump:1.85026 Ang K41.O and F45.CE2 other bump:2.53535 Ang K41.C and F45.CD2 other bump:3.11063 Ang E42.CA and F45.CD2 other bump:1.59211 Ang K41.O and F45.CD2 other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 4 total=979 Number of alignments=211 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 1 :GPAW 1akr 2 :PKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1akr 14 :NTEYTAETIARELADAGYEVDSRDAASVE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.94523 Ang L11.CD1 and E23.OE2 other bump:2.27355 Ang L11.CD1 and E23.OE1 other bump:2.16679 Ang L11.CD1 and E23.CD other bump:2.35794 Ang L11.CD1 and E23.CG other bump:2.27028 Ang L11.CD1 and E23.CB T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVRGA Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 47 residues other bump:2.48502 Ang E19.O and K46.CD other bump:2.76155 Ang I20.CG1 and K46.CD other bump:2.60484 Ang K41.CG and F45.CZ other bump:2.33215 Ang K41.CG and F45.CE2 other bump:3.03355 Ang K41.CA and F45.CE2 other bump:3.10432 Ang K41.CB and F45.CE2 other bump:2.41799 Ang K41.C and F45.CE2 other bump:1.85026 Ang K41.O and F45.CE2 other bump:2.53535 Ang K41.C and F45.CD2 other bump:3.11063 Ang E42.CA and F45.CD2 other bump:1.59211 Ang K41.O and F45.CD2 other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 4 total=983 Number of alignments=212 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 1 :G 1akr 2 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 43 :VEIHLIGNV 1akr 3 :KALIVYGST Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69044 Ang H5.NE2 and I7.CG2 other bump:2.73665 Ang H5.CE1 and I7.CG2 T0187 52 :QKVCDEAKSLAKEKGFN 1akr 16 :EYTAETIARELADAGYE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 69 :AEIITTSLDCE 1akr 52 :LVLLGCSTWAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 90 :IMKEVKFKDRPLKKPAA 1akr 72 :IPLFDSLEETGAQGRKV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues neighbor-bump: 1.01103 Ang R11.O and P12.CD neighbor-bump: 2.22813 Ang R11.CA and P12.CD neighbor-bump: 0.921699 Ang R11.C and P12.CD self-bump: 2.23668 Ang P12.CA and P12.CD neighbor-bump: 2.29291 Ang R11.O and P12.CG neighbor-bump: 2.33673 Ang R11.C and P12.CG self-bump: 1.39473 Ang P12.CA and P12.CB other bump:3.12169 Ang K4.CE and R11.CZ other bump:2.79298 Ang E5.CA and F8.CZ other bump:3.143 Ang E5.CA and F8.CE2 other bump:2.81744 Ang E5.N and F8.CE1 other bump:2.9042 Ang K4.C and F8.CE1 other bump:2.76307 Ang E5.CA and F8.CE1 other bump:2.42659 Ang K4.O and F8.CD1 T0187 107 :LIFG 1akr 91 :FGCG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.03745 Ang L2.O and I3.CG2 neighbor-bump: 2.83581 Ang L2.C and I3.CG2 T0187 118 :KGNGIGGRNQELALSAAIALEG 1akr 95 :DSSYEYFCGAVDAIEEKLKNLG Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.66297 Ang R9.CA and E12.OE1 other bump:2.29714 Ang R9.CB and E12.OE1 other bump:2.03241 Ang R9.O and E12.OE1 other bump:2.54291 Ang R9.C and E12.OE1 other bump:2.86236 Ang G7.C and N10.OD1 other bump:2.77995 Ang G7.CA and N10.OD1 other bump:2.26667 Ang G7.CA and N10.ND2 other bump:2.94354 Ang G7.C and N10.CG other bump:2.72908 Ang G7.CA and N10.CG other bump:2.29287 Ang K2.CE and N4.OD1 other bump:2.90904 Ang K2.CE and N4.CG T0187 140 :IEGVILCSAG 1akr 120 :VQDGLRIDGD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues neighbor-bump: 2.43535 Ang A10.CB and G11.N self-bump: 2.20422 Ang A10.CB and A10.C self-bump: 1.27011 Ang A10.CA and A10.CB Number of specific fragments= 8 total=991 Number of alignments=213 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 1 :G 1akr 2 :P Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAW 1akr 10 :STT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 1.97757 Ang G1.C and P2.CD T0187 9 :TSEDALKVLEKYGIE 1akr 18 :TAETIARELADAGYE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 26 :ESV 1akr 38 :AAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 34 :QETPKHLSNVEIHLIGNV 1akr 41 :VEAGGLFEGFDLVLLGCS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:3.14249 Ang H14.CD2 and I16.CG1 other bump:2.57271 Ang H14.NE2 and I16.CG1 other bump:2.54885 Ang V11.CG1 and I13.O neighbor-bump: 2.82727 Ang H7.CD2 and L8.CD1 other bump:2.49436 Ang Q2.CD and H7.CE1 other bump:1.47837 Ang Q2.OE1 and H7.CE1 other bump:2.48044 Ang Q2.OE1 and H7.ND1 neighbor-bump: 2.4365 Ang T4.OG1 and P5.CD self-bump: 1.31583 Ang P5.CA and P5.CB T0187 59 :KSLAK 1akr 72 :IPLFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 65 :KGFNAEIITTSLDC 1akr 84 :QGRKVACFGCGDSS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.9129 Ang L13.CD1 and C15.CB other bump:2.59792 Ang G1.C and F4.CD1 T0187 85 :RFIASIMKEVKFKDR 1akr 103 :GAVDAIEEKLKNLGA Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.39398 Ang K14.NZ and R16.NH2 other bump:2.91804 Ang K14.NZ and R16.CZ other bump:2.74456 Ang V11.CG2 and R16.NE other bump:2.73947 Ang K14.NZ and R16.NE other bump:2.89328 Ang V11.CG1 and R16.NE other bump:2.78258 Ang V11.CG2 and R16.CD other bump:2.54555 Ang V11.CB and R16.CD other bump:1.68859 Ang V11.CG1 and R16.CD other bump:3.09522 Ang V11.CA and R16.CD other bump:2.46175 Ang V11.CG1 and R16.CG other bump:2.38887 Ang V11.CG1 and R16.CB other bump:2.49404 Ang K9.CG and F13.CZ other bump:2.65 Ang K9.C and F13.CE2 other bump:3.15467 Ang K9.CA and F13.CE2 other bump:3.04463 Ang K9.CB and F13.CE2 other bump:2.12588 Ang K9.CG and F13.CE2 other bump:2.2011 Ang K9.O and F13.CE2 other bump:2.64183 Ang K9.C and F13.CD2 other bump:3.234 Ang E10.CA and F13.CD2 other bump:1.81478 Ang K9.O and F13.CD2 other bump:2.86528 Ang F3.CD2 and I7.CD1 other bump:2.35649 Ang F3.CE2 and I7.CD1 other bump:2.84622 Ang F3.CZ and I7.CD1 T0187 101 :LKKPAAL 1akr 120 :VQDGLRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 118 :KGN 1akr 127 :DGD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 127 :QELALSAAIALEG 1akr 134 :RDDIVGWAHDVRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 11 total=1002 Number of alignments=214 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 21 :GIETSESVKRAIL 1akr 64 :SIELQDDFIPLFD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.59533 Ang I3.CG2 and K10.CE other bump:2.4365 Ang I3.CD1 and T5.OG1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 3 total=1005 Number of alignments=215 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 8 :S 1akr 64 :S Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 22 :IETSESVKRAIL 1akr 65 :IELQDDFIPLFD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.59533 Ang I2.CG2 and K9.CE other bump:2.4365 Ang I2.CD1 and T4.OG1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 4 total=1009 Number of alignments=216 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 21 :GIETSESVKRAIL 1akr 64 :SIELQDDFIPLFD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.59533 Ang I3.CG2 and K10.CE other bump:2.4365 Ang I3.CD1 and T5.OG1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 3 total=1012 Number of alignments=217 # Reading fragments from alignment file # T0187 read from T0187-1akr-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 8 :S 1akr 64 :S Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 22 :IETSESVKRAIL 1akr 65 :IELQDDFIPLFD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.59533 Ang I2.CG2 and K9.CE other bump:2.4365 Ang I2.CD1 and T4.OG1 T0187 34 :QETPKHLSNVEIHLIGNVQ 1akr 79 :EETGAQGRKVACFGCGDSS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:1.85346 Ang N18.CG and Q20.NE2 other bump:0.886482 Ang N18.ND2 and Q20.NE2 other bump:2.64775 Ang N18.CB and Q20.OE1 other bump:1.3433 Ang N18.CG and Q20.OE1 other bump:2.13659 Ang N18.ND2 and Q20.OE1 other bump:0.388372 Ang N18.OD1 and Q20.OE1 other bump:3.03663 Ang N18.CB and Q20.CD other bump:1.60357 Ang N18.CG and Q20.CD other bump:1.69147 Ang N18.ND2 and Q20.CD other bump:1.41552 Ang N18.OD1 and Q20.CD other bump:2.94944 Ang N18.CG and Q20.CG other bump:2.49781 Ang N18.OD1 and Q20.CG neighbor-bump: 2.62495 Ang H7.C and L8.CB neighbor-bump: 2.22813 Ang T4.CA and P5.CD neighbor-bump: 1.01103 Ang T4.O and P5.CD neighbor-bump: 0.921698 Ang T4.C and P5.CD self-bump: 2.23668 Ang P5.CA and P5.CD neighbor-bump: 2.29291 Ang T4.O and P5.CG neighbor-bump: 2.33673 Ang T4.C and P5.CG self-bump: 1.39473 Ang P5.CA and P5.CB T0187 53 :KVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 103 :GAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I20.CD1 and V43.CG1 other bump:2.57629 Ang I20.CD1 and V43.CB other bump:2.34199 Ang I20.CD1 and V43.CA other bump:2.72207 Ang I20.CD1 and V43.N other bump:2.75702 Ang T23.CG2 and I39.CD1 other bump:2.80023 Ang T23.OG1 and I39.CD1 other bump:2.51741 Ang T23.OG1 and I39.CG2 neighbor-bump: 2.43504 Ang C27.CB and E28.N self-bump: 2.20363 Ang C27.CB and C27.C self-bump: 1.2776 Ang C27.CA and C27.CB other bump:2.50886 Ang K8.CD and T22.OG1 other bump:2.88878 Ang K14.CE and F16.CZ other bump:2.48611 Ang K14.NZ and F16.CZ other bump:3.23566 Ang A11.CA and F16.CE2 other bump:3.10427 Ang K14.CB and F16.CE2 other bump:2.43626 Ang K14.NZ and F16.CE2 other bump:2.74913 Ang A11.CA and F16.CD2 other bump:2.4038 Ang A11.O and F16.CD2 other bump:2.90527 Ang A11.C and F16.CD2 Number of specific fragments= 4 total=1016 Number of alignments=218 # Reading fragments from alignment file # T0187 read from T0187-1akr-local-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-local-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 104 :AVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.50814 Ang I19.CD1 and V42.CG1 other bump:2.57629 Ang I19.CD1 and V42.CB other bump:2.34199 Ang I19.CD1 and V42.CA other bump:2.72207 Ang I19.CD1 and V42.N other bump:2.75702 Ang T22.CG2 and I38.CD1 other bump:2.80023 Ang T22.OG1 and I38.CD1 other bump:2.51741 Ang T22.OG1 and I38.CG2 neighbor-bump: 2.43504 Ang C26.CB and E27.N self-bump: 2.20363 Ang C26.CB and C26.C self-bump: 1.2776 Ang C26.CA and C26.CB other bump:2.50886 Ang K7.CD and T21.OG1 other bump:2.88878 Ang K13.CE and F15.CZ other bump:2.48611 Ang K13.NZ and F15.CZ other bump:3.23566 Ang A10.CA and F15.CE2 other bump:3.10427 Ang K13.CB and F15.CE2 other bump:2.43626 Ang K13.NZ and F15.CE2 other bump:2.74913 Ang A10.CA and F15.CD2 other bump:2.4038 Ang A10.O and F15.CD2 other bump:2.90527 Ang A10.C and F15.CD2 Number of specific fragments= 1 total=1017 Number of alignments=219 # Reading fragments from alignment file # T0187 read from T0187-1akr-local-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-local-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1akr 102 :CGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDV Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I21.CD1 and V44.CG1 other bump:2.57629 Ang I21.CD1 and V44.CB other bump:2.34199 Ang I21.CD1 and V44.CA other bump:2.72207 Ang I21.CD1 and V44.N other bump:2.75702 Ang T24.CG2 and I40.CD1 other bump:2.80023 Ang T24.OG1 and I40.CD1 other bump:2.51741 Ang T24.OG1 and I40.CG2 neighbor-bump: 2.43504 Ang C28.CB and E29.N self-bump: 2.20363 Ang C28.CB and C28.C self-bump: 1.2776 Ang C28.CA and C28.CB other bump:2.66487 Ang Q2.NE2 and L26.CA other bump:2.93206 Ang Q2.CD and L26.N other bump:1.71316 Ang Q2.NE2 and L26.N other bump:2.78898 Ang Q2.CD and S25.C other bump:2.87766 Ang Q2.OE1 and S25.C other bump:2.03118 Ang Q2.NE2 and S25.C other bump:2.40971 Ang Q2.CD and S25.CB other bump:1.56051 Ang Q2.OE1 and S25.CB other bump:2.64508 Ang Q2.CD and S25.CA other bump:2.47117 Ang Q2.OE1 and S25.CA other bump:2.50057 Ang Q2.NE2 and S25.CA other bump:2.50886 Ang K9.CD and T23.OG1 other bump:2.88878 Ang K15.CE and F17.CZ other bump:2.48611 Ang K15.NZ and F17.CZ other bump:3.23566 Ang A12.CA and F17.CE2 other bump:3.10427 Ang K15.CB and F17.CE2 other bump:2.43626 Ang K15.NZ and F17.CE2 other bump:2.74913 Ang A12.CA and F17.CD2 other bump:2.4038 Ang A12.O and F17.CD2 other bump:2.90527 Ang A12.C and F17.CD2 Number of specific fragments= 1 total=1018 Number of alignments=220 # Reading fragments from alignment file # T0187 read from T0187-1akr-simpleSW-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-simpleSW-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 105 :AALIFGGET 1akr 3 :KALIVYGST Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1019 # Reading fragments from alignment file # T0187 read from T0187-1akr-simpleSW-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-simpleSW-adpstyle5.pw.a2m.gz # found chain 1akr in template set Number of specific fragments= 0 total=1019 # Reading fragments from alignment file # T0187 read from T0187-1akr-vit-adpstyle1.pw.a2m.gz # 1akr read from T0187-1akr-vit-adpstyle1.pw.a2m.gz # found chain 1akr in template set T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1akr 104 :AVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDVR Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.50814 Ang I19.CD1 and V42.CG1 other bump:2.57629 Ang I19.CD1 and V42.CB other bump:2.34199 Ang I19.CD1 and V42.CA other bump:2.72207 Ang I19.CD1 and V42.N other bump:2.75702 Ang T22.CG2 and I38.CD1 other bump:2.80023 Ang T22.OG1 and I38.CD1 other bump:2.51741 Ang T22.OG1 and I38.CG2 neighbor-bump: 2.43504 Ang C26.CB and E27.N self-bump: 2.20363 Ang C26.CB and C26.C self-bump: 1.2776 Ang C26.CA and C26.CB other bump:2.50886 Ang K7.CD and T21.OG1 other bump:2.88878 Ang K13.CE and F15.CZ other bump:2.48611 Ang K13.NZ and F15.CZ other bump:3.23566 Ang A10.CA and F15.CE2 other bump:3.10427 Ang K13.CB and F15.CE2 other bump:2.43626 Ang K13.NZ and F15.CE2 other bump:2.74913 Ang A10.CA and F15.CD2 other bump:2.4038 Ang A10.O and F15.CD2 other bump:2.90527 Ang A10.C and F15.CD2 Number of specific fragments= 1 total=1020 Number of alignments=221 # Reading fragments from alignment file # T0187 read from T0187-1akr-vit-adpstyle5.pw.a2m.gz # 1akr read from T0187-1akr-vit-adpstyle5.pw.a2m.gz # found chain 1akr in template set T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1akr 102 :CGAVDAIEEKLKNLGAEIVQDGLRIDGDPRAARDDIVGWAHDV Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 45 residues other bump:2.50814 Ang I21.CD1 and V44.CG1 other bump:2.57629 Ang I21.CD1 and V44.CB other bump:2.34199 Ang I21.CD1 and V44.CA other bump:2.72207 Ang I21.CD1 and V44.N other bump:2.75702 Ang T24.CG2 and I40.CD1 other bump:2.80023 Ang T24.OG1 and I40.CD1 other bump:2.51741 Ang T24.OG1 and I40.CG2 neighbor-bump: 2.43504 Ang C28.CB and E29.N self-bump: 2.20363 Ang C28.CB and C28.C self-bump: 1.2776 Ang C28.CA and C28.CB other bump:2.66487 Ang Q2.NE2 and L26.CA other bump:2.93206 Ang Q2.CD and L26.N other bump:1.71316 Ang Q2.NE2 and L26.N other bump:2.78898 Ang Q2.CD and S25.C other bump:2.87766 Ang Q2.OE1 and S25.C other bump:2.03118 Ang Q2.NE2 and S25.C other bump:2.40971 Ang Q2.CD and S25.CB other bump:1.56051 Ang Q2.OE1 and S25.CB other bump:2.64508 Ang Q2.CD and S25.CA other bump:2.47117 Ang Q2.OE1 and S25.CA other bump:2.50057 Ang Q2.NE2 and S25.CA other bump:2.50886 Ang K9.CD and T23.OG1 other bump:2.88878 Ang K15.CE and F17.CZ other bump:2.48611 Ang K15.NZ and F17.CZ other bump:3.23566 Ang A12.CA and F17.CE2 other bump:3.10427 Ang K15.CB and F17.CE2 other bump:2.43626 Ang K15.NZ and F17.CE2 other bump:2.74913 Ang A12.CA and F17.CD2 other bump:2.4038 Ang A12.O and F17.CD2 other bump:2.90527 Ang A12.C and F17.CD2 Number of specific fragments= 1 total=1021 Number of alignments=222 # Prefix for input files set to 1ex2A/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAWPDSSTSEDALKV 1ex2A 8 :ASQSPRRKELLDLLQL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.16013 Ang G1.N and P2.CD neighbor-bump: 2.35292 Ang G1.CA and P2.CD neighbor-bump: 1.69185 Ang G1.C and P2.CD T0187 17 :LEKYGIETSESV 1ex2A 25 :YSIIVSEVEEKL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.73622 Ang E3.CD and Y5.OH other bump:1.69929 Ang E3.OE2 and Y5.OH other bump:2.4713 Ang E3.OE2 and Y5.CZ T0187 29 :KRAILQETPKHLSNVEI 1ex2A 64 :AIVIGADTMVCLDGECL Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.88643 Ang H12.ND1 and V16.C other bump:2.75148 Ang H12.ND1 and V16.N other bump:2.13986 Ang H12.CE1 and V16.N other bump:2.5396 Ang H12.ND1 and N15.C other bump:1.59666 Ang H12.CE1 and N15.C other bump:2.65068 Ang H12.NE2 and N15.C other bump:2.29473 Ang H12.CE1 and N15.O self-bump: 1.39542 Ang N15.CA and N15.CB other bump:3.04581 Ang H12.ND1 and N15.CA other bump:1.73622 Ang H12.CE1 and N15.CA other bump:1.92106 Ang H12.NE2 and N15.CA other bump:2.84446 Ang H12.CD2 and N15.N other bump:2.04999 Ang H12.CE1 and N15.N other bump:1.63584 Ang H12.NE2 and N15.N neighbor-bump: 2.06141 Ang T9.C and P10.CD other bump:1.94203 Ang I5.CG2 and Q7.NE2 other bump:2.96867 Ang I5.C and Q7.NE2 neighbor-bump: 2.95924 Ang L6.C and Q7.NE2 T0187 50 :NVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIM 1ex2A 81 :GKPQDQEEAASMLRRLSGRSHSVITAVSIQAENHSETFYDKT Fragment has 27 clashes (null) has 27 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:2.89347 Ang D29.CB and F38.CZ other bump:3.15896 Ang D29.CA and F38.CE2 other bump:1.88364 Ang D29.CB and F38.CE2 other bump:2.13114 Ang D29.OD1 and F38.CE2 other bump:1.78946 Ang D29.CG and F38.CE2 other bump:2.54789 Ang D29.OD2 and F38.CE2 other bump:2.95844 Ang D29.CA and F38.CD2 other bump:2.23155 Ang D29.CB and F38.CD2 other bump:0.990679 Ang D29.OD1 and F38.CD2 other bump:1.58305 Ang D29.CG and F38.CD2 other bump:2.0312 Ang D29.OD1 and F38.CG other bump:2.94606 Ang D29.CG and F38.CG other bump:2.63744 Ang D29.OD1 and F38.CB other bump:2.59322 Ang K17.C and N20.OD1 other bump:2.87685 Ang Q4.OE1 and A10.C other bump:3.14342 Ang Q4.CD and A10.C other bump:3.18736 Ang Q4.CD and A10.CB other bump:2.24123 Ang Q4.OE1 and A10.CA other bump:2.08639 Ang Q4.CD and A10.CA other bump:1.66324 Ang Q4.NE2 and A10.CA other bump:2.28736 Ang Q4.CD and A10.N other bump:1.15033 Ang Q4.NE2 and A10.N other bump:2.55907 Ang Q4.CD and E9.C other bump:1.39408 Ang Q4.NE2 and E9.C other bump:2.61259 Ang Q4.CD and E9.O other bump:2.6413 Ang Q4.NE2 and E9.CA neighbor-bump: 3.0778 Ang K5.C and V6.CG1 T0187 93 :EVKFKDRPLKKPAALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIEGVILCSAGT 1ex2A 123 :EVAFWSLSEEEIWTYIETKEPMDKAGAYGIQGRGALFVKKIDGDYYSVMGLPISKTMR Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 59 residues other bump:2.50604 Ang G48.N and I53.CD1 other bump:1.97243 Ang G48.CA and I53.CD1 neighbor-bump: 2.88341 Ang G51.C and V52.CG2 neighbor-bump: 2.51991 Ang G51.O and V52.CG2 other bump:2.03741 Ang I31.CG2 and E50.OE2 other bump:2.28533 Ang I31.CD1 and I49.CD1 other bump:3.02093 Ang I31.CB and I49.CD1 other bump:2.83312 Ang I31.CG2 and I49.CD1 neighbor-bump: 2.25388 Ang I44.CG2 and A45.N self-bump: 1.32478 Ang I44.CA and I44.CB other bump:2.04307 Ang K6.CG and L40.CD2 other bump:3.01133 Ang K6.CD and L40.CD2 other bump:2.97976 Ang K6.CG and L40.CG other bump:2.87384 Ang R8.NH1 and L38.CD2 other bump:2.02751 Ang K6.NZ and E37.O other bump:2.03141 Ang I31.O and Q36.OE1 other bump:2.91669 Ang G30.CA and N35.ND2 other bump:2.77662 Ang N29.CA and N35.ND2 other bump:2.62616 Ang N29.C and N35.ND2 other bump:1.89242 Ang G30.N and N35.ND2 other bump:2.72606 Ang G30.N and N35.CG other bump:3.07805 Ang G30.C and N35.CB other bump:1.97706 Ang G30.O and N35.CB other bump:3.07071 Ang G30.N and N35.CB other bump:2.66053 Ang T22.CG2 and G28.C other bump:2.04992 Ang T22.CG2 and G28.O other bump:3.03429 Ang T22.CG2 and G28.CA neighbor-bump: 2.37623 Ang V26.CG1 and K27.N self-bump: 2.465 Ang V26.CG1 and V26.C self-bump: 1.30193 Ang V26.CA and V26.CB other bump:2.64938 Ang L16.CD2 and T22.OG1 other bump:1.22822 Ang P9.O and P13.CD other bump:2.46045 Ang P9.C and P13.CD other bump:3.17917 Ang L10.C and P13.CD other bump:2.1812 Ang P9.O and P13.CG other bump:3.2104 Ang P9.C and P13.CG other bump:2.57022 Ang P9.CD and K12.CD other bump:2.68324 Ang P9.CG and K12.CD other bump:2.70299 Ang P9.CG and K12.CG other bump:2.91716 Ang P9.CG and K12.CB self-bump: 1.388 Ang K11.CA and K11.CB Number of specific fragments= 5 total=1026 Number of alignments=223 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAWPDSSTSEDALKV 1ex2A 8 :ASQSPRRKELLDLLQL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.16013 Ang G1.N and P2.CD neighbor-bump: 2.35292 Ang G1.CA and P2.CD neighbor-bump: 1.69185 Ang G1.C and P2.CD T0187 17 :LEKYGIETSESVKRAILQ 1ex2A 25 :YSIIVSEVEEKLNRNFSP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.73622 Ang E3.CD and Y5.OH other bump:1.69929 Ang E3.OE2 and Y5.OH other bump:2.4713 Ang E3.OE2 and Y5.CZ T0187 35 :ETPKHLSNVEIHLIGNVQ 1ex2A 44 :ENVQWLAKQKAKAVADLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues T0187 53 :KVCDEAKSLAKE 1ex2A 84 :QDQEEAASMLRR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 3.07779 Ang K2.C and V3.CG1 T0187 65 :KGFNAEIITTSLDCEAREAGRFIA 1ex2A 97 :SGRSHSVITAVSIQAENHSETFYD Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.71824 Ang T11.CB and I24.CG2 other bump:1.45991 Ang T11.CG2 and I24.CG2 other bump:2.75734 Ang T11.CG2 and I24.CB other bump:3.30157 Ang E16.CG and E19.C other bump:2.48578 Ang E16.CG and E19.O other bump:2.19716 Ang E16.OE2 and E19.CB other bump:3.05661 Ang E16.CD and E19.CB other bump:2.64317 Ang E7.CD and I9.CD1 other bump:2.50589 Ang E7.OE1 and I9.CD1 other bump:2.74178 Ang E7.OE2 and I9.CD1 other bump:2.73521 Ang E7.CD and I9.CG1 other bump:2.74879 Ang E7.OE2 and I9.CG1 neighbor-bump: 2.61351 Ang F4.CD2 and N5.C neighbor-bump: 2.58601 Ang F4.CE2 and N5.C neighbor-bump: 1.9107 Ang F4.CD2 and N5.O neighbor-bump: 1.41819 Ang F4.CE2 and N5.O neighbor-bump: 2.33905 Ang F4.CZ and N5.O neighbor-bump: 3.20093 Ang F4.CD2 and N5.CA neighbor-bump: 2.71135 Ang F4.CD2 and N5.N T0187 90 :IM 1ex2A 121 :KT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 93 :EVKFKDRPLKKPAALIFGGETVVHVKGNGIGGRNQELALSAAIALEGIEGVILCS 1ex2A 123 :EVAFWSLSEEEIWTYIETKEPMDKAGAYGIQGRGALFVKKIDGDYYSVMGLPISK Fragment has 41 clashes (null) has 41 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 57 residues other bump:2.50604 Ang G48.N and I53.CD1 other bump:1.97243 Ang G48.CA and I53.CD1 neighbor-bump: 2.88341 Ang G51.C and V52.CG2 neighbor-bump: 2.51991 Ang G51.O and V52.CG2 other bump:2.03741 Ang I31.CG2 and E50.OE2 other bump:2.28533 Ang I31.CD1 and I49.CD1 other bump:3.02093 Ang I31.CB and I49.CD1 other bump:2.83312 Ang I31.CG2 and I49.CD1 neighbor-bump: 2.25388 Ang I44.CG2 and A45.N self-bump: 1.32478 Ang I44.CA and I44.CB other bump:2.04307 Ang K6.CG and L40.CD2 other bump:3.01133 Ang K6.CD and L40.CD2 other bump:2.97976 Ang K6.CG and L40.CG other bump:2.87384 Ang R8.NH1 and L38.CD2 other bump:2.02751 Ang K6.NZ and E37.O other bump:2.03141 Ang I31.O and Q36.OE1 other bump:2.91669 Ang G30.CA and N35.ND2 other bump:2.77662 Ang N29.CA and N35.ND2 other bump:2.62616 Ang N29.C and N35.ND2 other bump:1.89242 Ang G30.N and N35.ND2 other bump:2.72606 Ang G30.N and N35.CG other bump:3.07805 Ang G30.C and N35.CB other bump:1.97706 Ang G30.O and N35.CB other bump:3.07071 Ang G30.N and N35.CB other bump:2.66053 Ang T22.CG2 and G28.C other bump:2.04992 Ang T22.CG2 and G28.O other bump:3.03429 Ang T22.CG2 and G28.CA neighbor-bump: 2.37623 Ang V26.CG1 and K27.N self-bump: 2.465 Ang V26.CG1 and V26.C self-bump: 1.30193 Ang V26.CA and V26.CB other bump:2.64938 Ang L16.CD2 and T22.OG1 other bump:1.22822 Ang P9.O and P13.CD other bump:2.46045 Ang P9.C and P13.CD other bump:3.17917 Ang L10.C and P13.CD other bump:2.1812 Ang P9.O and P13.CG other bump:3.2104 Ang P9.C and P13.CG other bump:2.57022 Ang P9.CD and K12.CD other bump:2.68324 Ang P9.CG and K12.CD other bump:2.70299 Ang P9.CG and K12.CG other bump:2.91716 Ang P9.CG and K12.CB self-bump: 1.388 Ang K11.CA and K11.CB T0187 148 :AG 1ex2A 183 :RH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues Number of specific fragments= 8 total=1034 Number of alignments=224 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-local-adpstyle1.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 86 :FIASIMKEVKFKDRP 1ex2A 47 :QWLAKQKAKAVADLH Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 1.96794 Ang R15.CA and P16.CD neighbor-bump: 1.83769 Ang R15.O and P16.CD neighbor-bump: 1.12202 Ang R15.C and P16.CD neighbor-bump: 2.26529 Ang R15.CB and P16.CD neighbor-bump: 2.34023 Ang R15.O and P16.CG neighbor-bump: 2.32773 Ang R15.C and P16.CG other bump:2.55539 Ang E9.CG and K13.CE T0187 104 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 2 total=1036 Number of alignments=225 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-local-adpstyle5.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 64 :EKGFNAEIITTSLDCEAREAG 1ex2A 20 :LLQLPYSIIVSEVEEKLNRNF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.8912 Ang L14.CG and C16.SG other bump:2.94048 Ang L14.CD1 and C16.SG other bump:3.10265 Ang K3.CB and F5.CE1 other bump:2.56828 Ang K3.O and F5.CD1 other bump:2.67101 Ang K3.CB and F5.CD1 T0187 85 :RFIA 1ex2A 43 :EENV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 89 :SIMKEVKFKDRP 1ex2A 50 :AKQKAKAVADLH Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 1.96794 Ang R12.CA and P13.CD neighbor-bump: 1.83769 Ang R12.O and P13.CD neighbor-bump: 1.12202 Ang R12.C and P13.CD neighbor-bump: 2.26529 Ang R12.CB and P13.CD neighbor-bump: 2.34023 Ang R12.O and P13.CG neighbor-bump: 2.32773 Ang R12.C and P13.CG other bump:2.55539 Ang E6.CG and K10.CE T0187 104 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 4 total=1040 Number of alignments=226 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-vit-adpstyle1.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 86 :FIASIMKEVKFKDRP 1ex2A 47 :QWLAKQKAKAVADLH Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 1.96794 Ang R15.CA and P16.CD neighbor-bump: 1.83769 Ang R15.O and P16.CD neighbor-bump: 1.12202 Ang R15.C and P16.CD neighbor-bump: 2.26529 Ang R15.CB and P16.CD neighbor-bump: 2.34023 Ang R15.O and P16.CG neighbor-bump: 2.32773 Ang R15.C and P16.CG other bump:2.55539 Ang E9.CG and K13.CE T0187 104 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 2 total=1042 Number of alignments=227 # Reading fragments from alignment file # T0187 read from 1ex2A-T0187-vit-adpstyle5.pw.a2m.gz # 1ex2A read from 1ex2A-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 64 :EKGFNAEIITTSLDCEAREAG 1ex2A 20 :LLQLPYSIIVSEVEEKLNRNF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.8912 Ang L14.CG and C16.SG other bump:2.94048 Ang L14.CD1 and C16.SG other bump:3.10265 Ang K3.CB and F5.CE1 other bump:2.56828 Ang K3.O and F5.CD1 other bump:2.67101 Ang K3.CB and F5.CD1 T0187 85 :RFIA 1ex2A 43 :EENV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 89 :SIMKEVKFKDRP 1ex2A 50 :AKQKAKAVADLH Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues neighbor-bump: 1.96794 Ang R12.CA and P13.CD neighbor-bump: 1.83769 Ang R12.O and P13.CD neighbor-bump: 1.12202 Ang R12.C and P13.CD neighbor-bump: 2.26529 Ang R12.CB and P13.CD neighbor-bump: 2.34023 Ang R12.O and P13.CG neighbor-bump: 2.32773 Ang R12.C and P13.CG other bump:2.55539 Ang E6.CG and K10.CE T0187 104 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 4 total=1046 Number of alignments=228 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 43 :VEIHLIGNVQ 1ex2A 2 :TKPLILASQS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.60082 Ang N9.ND2 and Q11.CB neighbor-bump: 2.57546 Ang V2.CG1 and E3.N T0187 56 :DEAKSLAKEKGFNAEIITTSL 1ex2A 12 :PRRKELLDLLQLPYSIIVSEV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:3.10265 Ang K11.CB and F13.CE1 other bump:2.56828 Ang K11.O and F13.CD1 other bump:2.67101 Ang K11.CB and F13.CD1 other bump:1.96876 Ang S6.O and E10.OE2 other bump:2.38416 Ang S6.O and E10.OE1 other bump:1.46906 Ang L7.O and E10.OE1 other bump:1.89298 Ang L7.C and E10.OE1 other bump:2.23353 Ang L7.CA and E10.OE1 other bump:2.37758 Ang S6.O and E10.CD other bump:3.07359 Ang L7.C and E10.CD other bump:2.9594 Ang L7.CA and E10.CD other bump:2.42893 Ang K5.CD and K9.NZ other bump:2.33022 Ang K5.CE and K9.NZ other bump:1.56424 Ang K5.NZ and K9.NZ other bump:2.01501 Ang K5.CD and K9.CE other bump:1.94668 Ang K5.CE and K9.CE other bump:1.43131 Ang K5.NZ and K9.CE other bump:2.7599 Ang K5.NZ and K9.CD T0187 77 :DCEAREAGRFIASIMKEVKFKD 1ex2A 43 :EENVQWLAKQKAKAVADLHPHA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.91279 Ang K20.O and D23.OD1 other bump:2.6458 Ang E18.O and F21.CZ other bump:2.51851 Ang E18.O and F21.CE2 other bump:2.81223 Ang E7.CG and F11.CE1 T0187 107 :LIFGGETVVHVKGN 1ex2A 65 :IVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGIEGVILCSA 1ex2A 83 :PQDQEEAASMLRRLSGRSHSVITAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V21.CG1 and L23.CD2 other bump:2.58211 Ang A14.O and I18.CD1 Number of specific fragments= 6 total=1052 Number of alignments=229 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAW 1ex2A 1 :MTKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 7 :SSTSEDALKVLEKYGIETSE 1ex2A 8 :ASQSPRRKELLDLLQLPYSI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.41305 Ang L9.CD1 and E21.OE2 neighbor-bump: 2.46162 Ang E18.O and T19.CG2 neighbor-bump: 2.93957 Ang E18.C and T19.CG2 T0187 31 :AILQETPKHLSNV 1ex2A 28 :IVSEVEEKLNRNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 50 :NVQK 1ex2A 41 :SPEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 79 :EAREAGRFIASIMKEVK 1ex2A 45 :NVQWLAKQKAKAVADLH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.81223 Ang E5.CG and F9.CE1 T0187 104 :PAALIFGGETVVHVKGN 1ex2A 62 :PHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGIEGVILCSA 1ex2A 83 :PQDQEEAASMLRRLSGRSHSVITAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V21.CG1 and L23.CD2 other bump:2.58211 Ang A14.O and I18.CD1 Number of specific fragments= 8 total=1060 Number of alignments=230 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 77 :DCEAREAGRFIASIMKEVKFKD 1ex2A 43 :EENVQWLAKQKAKAVADLHPHA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.91279 Ang K20.O and D23.OD1 other bump:2.6458 Ang E18.O and F21.CZ other bump:2.51851 Ang E18.O and F21.CE2 other bump:2.81223 Ang E7.CG and F11.CE1 T0187 107 :LIFGGETVVHVKGN 1ex2A 65 :IVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGIEGVILCSA 1ex2A 83 :PQDQEEAASMLRRLSGRSHSVITAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V21.CG1 and L23.CD2 other bump:2.58211 Ang A14.O and I18.CD1 Number of specific fragments= 4 total=1064 Number of alignments=231 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 58 :AKSLAKEKGFNAEIITTSLD 1ex2A 14 :RKELLDLLQLPYSIIVSEVE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.10265 Ang K9.CB and F11.CE1 other bump:2.56828 Ang K9.O and F11.CD1 other bump:2.67101 Ang K9.CB and F11.CD1 other bump:1.96876 Ang S4.O and E8.OE2 other bump:2.38416 Ang S4.O and E8.OE1 other bump:1.46906 Ang L5.O and E8.OE1 other bump:1.89298 Ang L5.C and E8.OE1 other bump:2.23353 Ang L5.CA and E8.OE1 other bump:2.37758 Ang S4.O and E8.CD other bump:3.07359 Ang L5.C and E8.CD other bump:2.9594 Ang L5.CA and E8.CD other bump:2.33022 Ang K3.CE and K7.NZ other bump:2.42893 Ang K3.CD and K7.NZ other bump:1.56424 Ang K3.NZ and K7.NZ other bump:1.94668 Ang K3.CE and K7.CE other bump:2.01501 Ang K3.CD and K7.CE other bump:1.43131 Ang K3.NZ and K7.CE other bump:2.7599 Ang K3.NZ and K7.CD T0187 78 :CEAREAGRFIASIMKEVKFK 1ex2A 44 :ENVQWLAKQKAKAVADLHPH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.6458 Ang E17.O and F20.CZ other bump:2.51851 Ang E17.O and F20.CE2 other bump:2.81223 Ang E6.CG and F10.CE1 T0187 106 :ALIFGGETVVHVKGN 1ex2A 64 :AIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.60838 Ang H12.ND1 and N16.C other bump:3.11507 Ang H12.CE1 and N16.C other bump:2.48385 Ang H12.ND1 and N16.O other bump:3.10212 Ang H12.ND1 and N16.CA other bump:2.93438 Ang H12.CE1 and N16.CA other bump:2.58755 Ang H12.ND1 and N16.N other bump:1.883 Ang H12.CE1 and N16.N other bump:2.49167 Ang H12.ND1 and G15.C other bump:1.40134 Ang H12.CE1 and G15.C other bump:2.33254 Ang H12.NE2 and G15.C other bump:2.11022 Ang H12.CE1 and G15.O other bump:3.11212 Ang H12.ND1 and G15.CA other bump:3.11139 Ang H12.CD2 and G15.CA other bump:1.80231 Ang H12.CE1 and G15.CA other bump:1.73611 Ang H12.NE2 and G15.CA other bump:2.93404 Ang H12.CD2 and G15.N other bump:2.18369 Ang H12.CE1 and G15.N other bump:1.81709 Ang H12.NE2 and G15.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGIEGVILCS 1ex2A 83 :PQDQEEAASMLRRLSGRSHSVITA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.00707 Ang V21.CG1 and L23.CD2 other bump:2.58211 Ang A14.O and I18.CD1 Number of specific fragments= 5 total=1069 Number of alignments=232 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAW 1ex2A 1 :MTKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAILQETPKH 1ex2A 6 :ILASQSPRRKELLDLLQLPYSIIVSEVEEKLNRNF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 37 residues other bump:2.5713 Ang T33.OG1 and H36.CE1 other bump:2.3635 Ang T33.OG1 and H36.ND1 other bump:2.41692 Ang S5.O and E23.OE2 neighbor-bump: 2.93957 Ang E20.C and T21.CG2 neighbor-bump: 2.46162 Ang E20.O and T21.CG2 neighbor-bump: 2.01164 Ang G1.C and P2.CD neighbor-bump: 2.83683 Ang G1.C and P2.CG T0187 50 :NVQKVCDEAKSLA 1ex2A 41 :SPEENVQWLAKQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 80 :AREAGRF 1ex2A 54 :AKAVADL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 103 :KPAALIFGGETVVHVKGN 1ex2A 61 :HPHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 121 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 125 :RNQELALSAAIALEGIEGVILCSAGT 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAVSI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 7 total=1076 Number of alignments=233 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :G 1ex2A 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWP 1ex2A 4 :PLIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 7 :SSTSEDALKVLEKYGIETSESVKRAILQETPKH 1ex2A 8 :ASQSPRRKELLDLLQLPYSIIVSEVEEKLNRNF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 35 residues other bump:2.5713 Ang T31.OG1 and H34.CE1 other bump:2.3635 Ang T31.OG1 and H34.ND1 other bump:2.41692 Ang S3.O and E21.OE2 neighbor-bump: 2.93957 Ang E18.C and T19.CG2 neighbor-bump: 2.46162 Ang E18.O and T19.CG2 T0187 50 :NVQKVCDEAKSLA 1ex2A 41 :SPEENVQWLAKQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 84 :GRFIASI 1ex2A 54 :AKAVADL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 103 :KPAALIFGGETVVHVKGN 1ex2A 61 :HPHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 121 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 125 :RNQELALSAAIALEGIEGVILCSAG 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 27 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 8 total=1084 Number of alignments=234 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 81 :REAGRFIASIMKEVKFKD 1ex2A 44 :ENVQWLAKQKAKAVADLH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.56498 Ang K13.O and F17.CD1 other bump:2.61834 Ang M12.CE and K16.NZ other bump:1.90702 Ang E3.CD and R6.NH2 other bump:1.08884 Ang E3.OE1 and R6.NH2 other bump:2.18812 Ang E3.OE2 and R6.NH2 other bump:2.17463 Ang E3.OE1 and R6.CZ T0187 104 :PAALIFGGETVVHVKGN 1ex2A 62 :PHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 121 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 125 :RNQELALSAAIALEGIEGVILCSA 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 4 total=1088 Number of alignments=235 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 46 :HLIGNVQKVC 1ex2A 5 :LILASQSPRR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 59 :KSLAKEKGFNAEIITTSLD 1ex2A 15 :KELLDLLQLPYSIIVSEVE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:3.10265 Ang K8.CB and F10.CE1 other bump:2.56828 Ang K8.O and F10.CD1 other bump:2.67101 Ang K8.CB and F10.CD1 other bump:1.96876 Ang S3.O and E7.OE2 other bump:2.38416 Ang S3.O and E7.OE1 other bump:1.46906 Ang L4.O and E7.OE1 other bump:1.89298 Ang L4.C and E7.OE1 other bump:2.23353 Ang L4.CA and E7.OE1 other bump:2.37758 Ang S3.O and E7.CD other bump:3.07359 Ang L4.C and E7.CD other bump:2.9594 Ang L4.CA and E7.CD other bump:2.33022 Ang K2.CE and K6.NZ other bump:2.42893 Ang K2.CD and K6.NZ other bump:1.56424 Ang K2.NZ and K6.NZ other bump:1.94668 Ang K2.CE and K6.CE other bump:2.01501 Ang K2.CD and K6.CE other bump:1.43131 Ang K2.NZ and K6.CE other bump:2.7599 Ang K2.NZ and K6.CD T0187 79 :EAREAGRFIASIMKEVKFKD 1ex2A 42 :PEENVQWLAKQKAKAVADLH Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.56498 Ang K15.O and F19.CD1 other bump:2.61834 Ang M14.CE and K18.NZ other bump:1.90703 Ang E5.CD and R8.NH2 other bump:1.08884 Ang E5.OE1 and R8.NH2 other bump:2.18812 Ang E5.OE2 and R8.NH2 other bump:2.17463 Ang E5.OE1 and R8.CZ T0187 104 :PAALIFGGETVVHVKGN 1ex2A 62 :PHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 121 :GIG 1ex2A 81 :GKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 125 :RNQELALSAAIALEGIEGVILCS 1ex2A 84 :QDQEEAASMLRRLSGRSHSVITA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:3.00707 Ang V20.CG1 and L22.CD2 other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 6 total=1094 Number of alignments=236 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 43 :VEIHLIGNVQ 1ex2A 2 :TKPLILASQS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.60082 Ang N9.ND2 and Q11.CB neighbor-bump: 2.57546 Ang V2.CG1 and E3.N T0187 56 :DEAKSLAKEKGFNAEIITTSLD 1ex2A 12 :PRRKELLDLLQLPYSIIVSEVE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:3.10265 Ang K11.CB and F13.CE1 other bump:2.56828 Ang K11.O and F13.CD1 other bump:2.67101 Ang K11.CB and F13.CD1 other bump:1.96876 Ang S6.O and E10.OE2 other bump:2.38416 Ang S6.O and E10.OE1 other bump:1.46906 Ang L7.O and E10.OE1 other bump:1.89298 Ang L7.C and E10.OE1 other bump:2.23353 Ang L7.CA and E10.OE1 other bump:2.37758 Ang S6.O and E10.CD other bump:3.07359 Ang L7.C and E10.CD other bump:2.9594 Ang L7.CA and E10.CD other bump:2.42893 Ang K5.CD and K9.NZ other bump:2.33022 Ang K5.CE and K9.NZ other bump:1.56424 Ang K5.NZ and K9.NZ other bump:2.01501 Ang K5.CD and K9.CE other bump:1.94668 Ang K5.CE and K9.CE other bump:1.43131 Ang K5.NZ and K9.CE other bump:2.7599 Ang K5.NZ and K9.CD T0187 78 :CEAREAGRFIASIMKEVKFKD 1ex2A 41 :SPEENVQWLAKQKAKAVADLH Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.56498 Ang K16.O and F20.CD1 other bump:2.61834 Ang M15.CE and K19.NZ other bump:1.90703 Ang E6.CD and R9.NH2 other bump:1.08884 Ang E6.OE1 and R9.NH2 other bump:2.18812 Ang E6.OE2 and R9.NH2 other bump:2.17463 Ang E6.OE1 and R9.CZ other bump:3.23585 Ang C2.SG and R5.CG T0187 104 :PAALIFGGETVVHVKGN 1ex2A 62 :PHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 6 total=1100 Number of alignments=237 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAW 1ex2A 1 :MTKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 7 :SSTSEDALKVLEKYGIETSESV 1ex2A 8 :ASQSPRRKELLDLLQLPYSIIV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.41692 Ang S3.O and E21.OE2 neighbor-bump: 2.46162 Ang E18.O and T19.CG2 neighbor-bump: 2.93957 Ang E18.C and T19.CG2 T0187 33 :LQETPKHLSNV 1ex2A 30 :SEVEEKLNRNF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 50 :NVQKVCDEAKSL 1ex2A 41 :SPEENVQWLAKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 87 :IASIMKEV 1ex2A 53 :KAKAVADL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 103 :KPAALIFGGETVVHVKGN 1ex2A 61 :HPHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGIE 1ex2A 83 :PQDQEEAASMLRRLSGRS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.58211 Ang A14.O and I18.CD1 Number of specific fragments= 8 total=1108 Number of alignments=238 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAW 1ex2A 1 :MTKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSS 1ex2A 8 :ASQS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.01282 Ang G1.C and P2.CD self-bump: 2.06347 Ang P2.N and P2.CG self-bump: 2.15518 Ang P2.N and P2.CB T0187 12 :DALKVLEKYGIETS 1ex2A 12 :PRRKELLDLLQLPY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.56316 Ang V6.O and Y10.CE1 other bump:3.08651 Ang L7.CA and Y10.CE1 other bump:2.96414 Ang L7.CA and Y10.CD1 other bump:2.42892 Ang K5.CD and K9.NZ other bump:2.3302 Ang K5.CE and K9.NZ other bump:1.56421 Ang K5.NZ and K9.NZ other bump:2.01501 Ang K5.CD and K9.CE other bump:1.94666 Ang K5.CE and K9.CE other bump:1.4313 Ang K5.NZ and K9.CE other bump:2.75989 Ang K5.NZ and K9.CD T0187 32 :ILQETPKHLSN 1ex2A 29 :VSEVEEKLNRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 49 :GNVQKVCDEAKSLA 1ex2A 40 :FSPEENVQWLAKQK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 80 :AREAGRF 1ex2A 54 :AKAVADL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 87 :IASIMKEVKFKDR 1ex2A 87 :EEAASMLRRLSGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 105 :AALIFGG 1ex2A 107 :VSIQAEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 112 :ETVVHVK 1ex2A 121 :KTEVAFW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.61015 Ang V7.CG2 and K8.O T0187 119 :GNGIG 1ex2A 149 :AYGIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 124 :GRNQEL 1ex2A 165 :GDYYSV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.81769 Ang R3.CD and E6.CG self-bump: 1.3931 Ang N4.CA and N4.CB T0187 130 :ALSAAIALEG 1ex2A 175 :ISKTMRALRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues Number of specific fragments= 12 total=1120 Number of alignments=239 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 1 :GPAW 1ex2A 1 :MTKP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSS 1ex2A 8 :ASQS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues neighbor-bump: 2.01282 Ang G1.C and P2.CD self-bump: 2.06347 Ang P2.N and P2.CG self-bump: 2.15518 Ang P2.N and P2.CB T0187 12 :DALKVLEKYGIETS 1ex2A 12 :PRRKELLDLLQLPY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.56316 Ang V6.O and Y10.CE1 other bump:3.08651 Ang L7.CA and Y10.CE1 other bump:2.96414 Ang L7.CA and Y10.CD1 other bump:2.42892 Ang K5.CD and K9.NZ other bump:2.3302 Ang K5.CE and K9.NZ other bump:1.56421 Ang K5.NZ and K9.NZ other bump:2.01501 Ang K5.CD and K9.CE other bump:1.94666 Ang K5.CE and K9.CE other bump:1.4313 Ang K5.NZ and K9.CE other bump:2.75989 Ang K5.NZ and K9.CD T0187 32 :ILQETPKHLSN 1ex2A 29 :VSEVEEKLNRN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 49 :GNVQKVCDEAKSLAKE 1ex2A 40 :FSPEENVQWLAKQKAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues T0187 65 :KG 1ex2A 62 :PH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 68 :NAEI 1ex2A 64 :AIVI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 77 :DCE 1ex2A 76 :DGE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues neighbor-bump: 2.65208 Ang D2.C and C3.CB T0187 80 :AREAGRFIA 1ex2A 86 :QEEAASMLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 95 :KFKDR 1ex2A 95 :RLSGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 105 :AALIFGG 1ex2A 107 :VSIQAEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 112 :ETVVHVK 1ex2A 121 :KTEVAFW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.61015 Ang V7.CG2 and K8.O T0187 119 :GNGIG 1ex2A 149 :AYGIQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 124 :GRNQELA 1ex2A 165 :GDYYSVM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.81769 Ang R3.CD and E6.CG self-bump: 1.3931 Ang N4.CA and N4.CB T0187 131 :LSAAIALEG 1ex2A 176 :SKTMRALRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 15 total=1135 Number of alignments=240 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 79 :EAREAGRFIASIMKEVKFKD 1ex2A 45 :NVQWLAKQKAKAVADLHPHA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.91279 Ang K18.O and D21.OD1 other bump:2.6458 Ang E16.O and F19.CZ other bump:2.51851 Ang E16.O and F19.CE2 other bump:2.81223 Ang E5.CG and F9.CE1 T0187 107 :LIFGGETVVHVKGN 1ex2A 65 :IVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 4 total=1139 Number of alignments=241 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 46 :HLIGNVQKV 1ex2A 5 :LILASQSPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 58 :AKSLAKEKGFNAEIITTSLD 1ex2A 14 :RKELLDLLQLPYSIIVSEVE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.10265 Ang K9.CB and F11.CE1 other bump:2.56828 Ang K9.O and F11.CD1 other bump:2.67101 Ang K9.CB and F11.CD1 other bump:1.96876 Ang S4.O and E8.OE2 other bump:2.38416 Ang S4.O and E8.OE1 other bump:1.46906 Ang L5.O and E8.OE1 other bump:1.89298 Ang L5.C and E8.OE1 other bump:2.23353 Ang L5.CA and E8.OE1 other bump:2.37758 Ang S4.O and E8.CD other bump:3.07359 Ang L5.C and E8.CD other bump:2.9594 Ang L5.CA and E8.CD other bump:2.33022 Ang K3.CE and K7.NZ other bump:2.42893 Ang K3.CD and K7.NZ other bump:1.56424 Ang K3.NZ and K7.NZ other bump:1.94668 Ang K3.CE and K7.CE other bump:2.01501 Ang K3.CD and K7.CE other bump:1.43131 Ang K3.NZ and K7.CE other bump:2.7599 Ang K3.NZ and K7.CD T0187 78 :CEAREAGRFIASIMKEV 1ex2A 44 :ENVQWLAKQKAKAVADL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.81223 Ang E6.CG and F10.CE1 T0187 103 :KPAALIFGGETVVHVKGN 1ex2A 61 :HPHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 6 total=1145 Number of alignments=242 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 79 :EAREAGRFIASIMKEVKFKD 1ex2A 45 :NVQWLAKQKAKAVADLHPHA Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.91279 Ang K18.O and D21.OD1 other bump:2.6458 Ang E16.O and F19.CZ other bump:2.51851 Ang E16.O and F19.CE2 other bump:2.81223 Ang E5.CG and F9.CE1 T0187 107 :LIFGGETVVHVKGN 1ex2A 65 :IVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.60838 Ang H11.ND1 and N15.C other bump:3.11507 Ang H11.CE1 and N15.C other bump:2.48385 Ang H11.ND1 and N15.O other bump:3.10212 Ang H11.ND1 and N15.CA other bump:2.93438 Ang H11.CE1 and N15.CA other bump:2.58755 Ang H11.ND1 and N15.N other bump:1.883 Ang H11.CE1 and N15.N other bump:2.49167 Ang H11.ND1 and G14.C other bump:1.40134 Ang H11.CE1 and G14.C other bump:2.33254 Ang H11.NE2 and G14.C other bump:2.11022 Ang H11.CE1 and G14.O other bump:3.11139 Ang H11.CD2 and G14.CA other bump:3.11212 Ang H11.ND1 and G14.CA other bump:1.80231 Ang H11.CE1 and G14.CA other bump:1.73611 Ang H11.NE2 and G14.CA other bump:2.93404 Ang H11.CD2 and G14.N other bump:2.18369 Ang H11.CE1 and G14.N other bump:1.81709 Ang H11.NE2 and G14.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 4 total=1149 Number of alignments=243 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 46 :HLIGNVQKV 1ex2A 5 :LILASQSPR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 58 :AKSLAKEKGFNAEIITTSLD 1ex2A 14 :RKELLDLLQLPYSIIVSEVE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:3.10265 Ang K9.CB and F11.CE1 other bump:2.56828 Ang K9.O and F11.CD1 other bump:2.67101 Ang K9.CB and F11.CD1 other bump:1.96876 Ang S4.O and E8.OE2 other bump:2.38416 Ang S4.O and E8.OE1 other bump:1.46906 Ang L5.O and E8.OE1 other bump:1.89298 Ang L5.C and E8.OE1 other bump:2.23353 Ang L5.CA and E8.OE1 other bump:2.37758 Ang S4.O and E8.CD other bump:3.07359 Ang L5.C and E8.CD other bump:2.9594 Ang L5.CA and E8.CD other bump:2.33022 Ang K3.CE and K7.NZ other bump:2.42893 Ang K3.CD and K7.NZ other bump:1.56424 Ang K3.NZ and K7.NZ other bump:1.94668 Ang K3.CE and K7.CE other bump:2.01501 Ang K3.CD and K7.CE other bump:1.43131 Ang K3.NZ and K7.CE other bump:2.7599 Ang K3.NZ and K7.CD T0187 78 :CEAREAGRFIASIMKEV 1ex2A 44 :ENVQWLAKQKAKAVADL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.81223 Ang E6.CG and F10.CE1 T0187 103 :KPAALIFGGETVVHVKGN 1ex2A 61 :HPHAIVIGADTMVCLDGE Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.60838 Ang H15.ND1 and N19.C other bump:3.11507 Ang H15.CE1 and N19.C other bump:2.48385 Ang H15.ND1 and N19.O other bump:3.10212 Ang H15.ND1 and N19.CA other bump:2.93438 Ang H15.CE1 and N19.CA other bump:2.58755 Ang H15.ND1 and N19.N other bump:1.883 Ang H15.CE1 and N19.N other bump:2.49167 Ang H15.ND1 and G18.C other bump:1.40134 Ang H15.CE1 and G18.C other bump:2.33254 Ang H15.NE2 and G18.C other bump:2.11022 Ang H15.CE1 and G18.O other bump:3.11212 Ang H15.ND1 and G18.CA other bump:3.11139 Ang H15.CD2 and G18.CA other bump:1.80231 Ang H15.CE1 and G18.CA other bump:1.73611 Ang H15.NE2 and G18.CA other bump:2.93404 Ang H15.CD2 and G18.N other bump:2.18369 Ang H15.CE1 and G18.N other bump:1.81709 Ang H15.NE2 and G18.N T0187 121 :GI 1ex2A 81 :GK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 124 :GRNQELALSAAIALEGI 1ex2A 83 :PQDQEEAASMLRRLSGR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues other bump:2.53496 Ang L15.O and I18.CG2 other bump:3.11552 Ang L15.C and I18.CG2 Number of specific fragments= 6 total=1155 Number of alignments=244 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-local-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-local-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 104 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 1 total=1156 Number of alignments=245 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-local-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-local-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 102 :KKPAALIFGGETVVHVKGNGIGG 1ex2A 60 :LHPHAIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.60838 Ang H16.ND1 and N20.C other bump:3.11507 Ang H16.CE1 and N20.C other bump:2.48385 Ang H16.ND1 and N20.O other bump:3.10212 Ang H16.ND1 and N20.CA other bump:2.93438 Ang H16.CE1 and N20.CA other bump:2.58755 Ang H16.ND1 and N20.N other bump:1.883 Ang H16.CE1 and N20.N other bump:2.33254 Ang H16.NE2 and G19.C other bump:2.49167 Ang H16.ND1 and G19.C other bump:1.40134 Ang H16.CE1 and G19.C other bump:2.11022 Ang H16.CE1 and G19.O other bump:3.11139 Ang H16.CD2 and G19.CA other bump:1.73611 Ang H16.NE2 and G19.CA other bump:3.11212 Ang H16.ND1 and G19.CA other bump:1.80231 Ang H16.CE1 and G19.CA other bump:2.93404 Ang H16.CD2 and G19.N other bump:1.81709 Ang H16.NE2 and G19.N other bump:2.18369 Ang H16.CE1 and G19.N T0187 125 :RNQELALSAAIALEGIEGVI 1ex2A 84 :QDQEEAASMLRRLSGRSHSV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 2 total=1158 Number of alignments=246 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-simpleSW-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-simpleSW-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 104 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 1 total=1159 Number of alignments=247 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-simpleSW-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-simpleSW-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 102 :KKPAALIFGGETVVHVKGNGIGG 1ex2A 60 :LHPHAIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.60838 Ang H16.ND1 and N20.C other bump:3.11507 Ang H16.CE1 and N20.C other bump:2.48385 Ang H16.ND1 and N20.O other bump:3.10212 Ang H16.ND1 and N20.CA other bump:2.93438 Ang H16.CE1 and N20.CA other bump:2.58755 Ang H16.ND1 and N20.N other bump:1.883 Ang H16.CE1 and N20.N other bump:2.33254 Ang H16.NE2 and G19.C other bump:2.49167 Ang H16.ND1 and G19.C other bump:1.40134 Ang H16.CE1 and G19.C other bump:2.11022 Ang H16.CE1 and G19.O other bump:3.11139 Ang H16.CD2 and G19.CA other bump:1.73611 Ang H16.NE2 and G19.CA other bump:3.11212 Ang H16.ND1 and G19.CA other bump:1.80231 Ang H16.CE1 and G19.CA other bump:2.93404 Ang H16.CD2 and G19.N other bump:1.81709 Ang H16.NE2 and G19.N other bump:2.18369 Ang H16.CE1 and G19.N T0187 125 :RNQELALSAAIAL 1ex2A 84 :QDQEEAASMLRRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues Number of specific fragments= 2 total=1161 Number of alignments=248 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-vit-adpstyle1.pw.a2m.gz # 1ex2A read from T0187-1ex2A-vit-adpstyle1.pw.a2m.gz # found chain 1ex2A in template set T0187 104 :PAALIFGGETVVHVKGNGIG 1ex2A 62 :PHAIVIGADTMVCLDGECLG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60838 Ang H14.ND1 and N18.C other bump:3.11507 Ang H14.CE1 and N18.C other bump:2.48385 Ang H14.ND1 and N18.O other bump:3.10212 Ang H14.ND1 and N18.CA other bump:2.93438 Ang H14.CE1 and N18.CA other bump:2.58755 Ang H14.ND1 and N18.N other bump:1.883 Ang H14.CE1 and N18.N other bump:2.49167 Ang H14.ND1 and G17.C other bump:1.40134 Ang H14.CE1 and G17.C other bump:2.33254 Ang H14.NE2 and G17.C other bump:2.11022 Ang H14.CE1 and G17.O other bump:3.11139 Ang H14.CD2 and G17.CA other bump:3.11212 Ang H14.ND1 and G17.CA other bump:1.80231 Ang H14.CE1 and G17.CA other bump:1.73611 Ang H14.NE2 and G17.CA other bump:2.93404 Ang H14.CD2 and G17.N other bump:2.18369 Ang H14.CE1 and G17.N other bump:1.81709 Ang H14.NE2 and G17.N Number of specific fragments= 1 total=1162 Number of alignments=249 # Reading fragments from alignment file # T0187 read from T0187-1ex2A-vit-adpstyle5.pw.a2m.gz # 1ex2A read from T0187-1ex2A-vit-adpstyle5.pw.a2m.gz # found chain 1ex2A in template set T0187 102 :KKPAALIFGGETVVHVKGNGIGG 1ex2A 60 :LHPHAIVIGADTMVCLDGECLGK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:2.60838 Ang H16.ND1 and N20.C other bump:3.11507 Ang H16.CE1 and N20.C other bump:2.48385 Ang H16.ND1 and N20.O other bump:3.10212 Ang H16.ND1 and N20.CA other bump:2.93438 Ang H16.CE1 and N20.CA other bump:2.58755 Ang H16.ND1 and N20.N other bump:1.883 Ang H16.CE1 and N20.N other bump:2.33254 Ang H16.NE2 and G19.C other bump:2.49167 Ang H16.ND1 and G19.C other bump:1.40134 Ang H16.CE1 and G19.C other bump:2.11022 Ang H16.CE1 and G19.O other bump:3.11139 Ang H16.CD2 and G19.CA other bump:1.73611 Ang H16.NE2 and G19.CA other bump:3.11212 Ang H16.ND1 and G19.CA other bump:1.80231 Ang H16.CE1 and G19.CA other bump:2.93404 Ang H16.CD2 and G19.N other bump:1.81709 Ang H16.NE2 and G19.N other bump:2.18369 Ang H16.CE1 and G19.N T0187 125 :RNQELALSAAIALEGIEGVI 1ex2A 84 :QDQEEAASMLRRLSGRSHSV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.58211 Ang A13.O and I17.CD1 Number of specific fragments= 2 total=1164 Number of alignments=250 # Prefix for input files set to 1lucA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1lucA-T0187-fssp-global-adpstyle1.pw.a2m.gz # 1lucA read from 1lucA-T0187-fssp-global-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 1 :GPAWPDSST 1lucA 1 :MKFGNFLLT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.09247 Ang W4.CE3 and D6.OD2 other bump:1.76834 Ang W4.CZ3 and D6.OD2 other bump:2.10538 Ang W4.CH2 and D6.OD2 other bump:1.94268 Ang W4.CE3 and D6.OD1 other bump:1.67949 Ang W4.CZ3 and D6.OD1 other bump:3.00902 Ang W4.CH2 and D6.OD1 other bump:2.63864 Ang W4.CE3 and D6.CG other bump:1.72133 Ang W4.CZ3 and D6.CG other bump:2.76861 Ang W4.CH2 and D6.CG other bump:2.97537 Ang W4.CZ3 and D6.CB T0187 10 :SEDALKVLEKYGI 1lucA 24 :LVNLGKASEGCGF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.95426 Ang V8.CG2 and Y12.CZ other bump:2.10151 Ang V8.CG2 and Y12.CE2 other bump:2.43979 Ang V8.O and Y12.CD2 other bump:2.60493 Ang A5.O and L9.CD1 T0187 23 :ETSESVK 1lucA 40 :WLLEHHF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 3.1053 Ang V7.CG1 and K8.CG T0187 30 :RAILQETP 1lucA 60 :AHLLGATE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues T0187 42 :NVEIHL 1lucA 68 :TLNVGT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.67156 Ang E4.OE2 and H6.NE2 other bump:1.98668 Ang E4.CD and H6.NE2 other bump:2.01034 Ang E4.OE2 and H6.CE1 other bump:2.87755 Ang E4.CD and H6.CD2 T0187 48 :IGNV 1lucA 75 :AIVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 52 :QKVCDEAKSLAKE 1lucA 84 :VRQAEDVNLLDQM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues T0187 65 :KGFNAEI 1lucA 101 :FRFGICR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 73 :TTSLDCEAREA 1lucA 125 :RALMDCWYDLM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 84 :GRFIASIMKEVKFKDRPLKKPAALIFGGET 1lucA 167 :GAPVYVVAESASTTEWAAERGLPMILSWII Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 1.96446 Ang K21.O and P22.CD neighbor-bump: 1.53526 Ang K21.C and P22.CD self-bump: 2.19243 Ang P22.CA and P22.CD other bump:1.5199 Ang F14.O and P18.CD other bump:2.72396 Ang F14.C and P18.CD other bump:3.08328 Ang K15.C and P18.CD other bump:2.1797 Ang F14.O and P18.CG other bump:3.2853 Ang F14.C and P18.CG other bump:2.49737 Ang F14.CE1 and R17.NH2 other bump:2.12726 Ang F14.CD1 and R17.NH2 other bump:2.48604 Ang M9.SD and K15.C other bump:3.0862 Ang M9.CE and K15.CE other bump:2.11342 Ang M9.CE and K15.CD other bump:2.44522 Ang M9.SD and K15.CG other bump:0.671918 Ang M9.CE and K15.CG other bump:1.99108 Ang M9.SD and K15.CB other bump:1.18506 Ang M9.CE and K15.CB other bump:2.84408 Ang M9.CG and K15.CA other bump:1.04828 Ang M9.SD and K15.CA other bump:2.00366 Ang M9.CE and K15.CA other bump:2.26276 Ang M9.CG and K15.N other bump:1.30427 Ang M9.SD and K15.N other bump:2.63809 Ang M9.CE and K15.N other bump:2.58316 Ang M9.CG and F14.C other bump:2.17383 Ang M9.SD and F14.C other bump:2.64173 Ang M9.SD and F14.O other bump:2.98171 Ang S7.CB and F14.CZ other bump:3.24281 Ang I8.C and F14.CZ other bump:2.477 Ang M9.N and F14.CE2 other bump:2.01318 Ang I8.O and F14.CE2 other bump:2.3065 Ang I8.C and F14.CE2 other bump:2.87558 Ang M9.CB and F14.CE2 other bump:2.42135 Ang M9.CA and F14.CE2 other bump:2.82371 Ang M9.N and F14.CD2 other bump:3.07899 Ang I8.C and F14.CD2 other bump:2.27658 Ang M9.CB and F14.CD2 other bump:2.59685 Ang M9.CG and F14.CD2 other bump:1.99137 Ang M9.CA and F14.CD2 other bump:3.08536 Ang M9.C and F14.CD2 other bump:2.98904 Ang M9.CG and F14.CG other bump:2.8378 Ang M9.CG and F14.CB other bump:3.16472 Ang M9.CG and F14.CA T0187 114 :VVHVKGNGIG 1lucA 222 :IDHCLSYITS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 124 :GRNQELALSAAIALE 1lucA 302 :GTPEECIAIIQQDID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues T0187 139 :GIEGVILCSAGT 1lucA 319 :GIDNICCGFEAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.18364 Ang S10.O and T13.OG1 other bump:2.6684 Ang S10.O and T13.CB Number of specific fragments= 13 total=1177 Number of alignments=251 # Reading fragments from alignment file # T0187 read from 1lucA-T0187-fssp-global-adpstyle5.pw.a2m.gz # 1lucA read from 1lucA-T0187-fssp-global-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 1 :GPAWPDSST 1lucA 1 :MKFGNFLLT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.09247 Ang W4.CE3 and D6.OD2 other bump:1.76834 Ang W4.CZ3 and D6.OD2 other bump:2.10538 Ang W4.CH2 and D6.OD2 other bump:1.94268 Ang W4.CE3 and D6.OD1 other bump:1.67949 Ang W4.CZ3 and D6.OD1 other bump:3.00902 Ang W4.CH2 and D6.OD1 other bump:2.63864 Ang W4.CE3 and D6.CG other bump:1.72133 Ang W4.CZ3 and D6.CG other bump:2.76861 Ang W4.CH2 and D6.CG other bump:2.97537 Ang W4.CZ3 and D6.CB T0187 10 :SEDALKVLEKYGI 1lucA 24 :LVNLGKASEGCGF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:2.95426 Ang V8.CG2 and Y12.CZ other bump:2.10151 Ang V8.CG2 and Y12.CE2 other bump:2.43979 Ang V8.O and Y12.CD2 other bump:2.60493 Ang A5.O and L9.CD1 T0187 23 :ETSES 1lucA 40 :WLLEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues T0187 28 :VKRAILQETP 1lucA 58 :AAAHLLGATE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 42 :NVEIHL 1lucA 68 :TLNVGT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:1.67156 Ang E4.OE2 and H6.NE2 other bump:1.98668 Ang E4.CD and H6.NE2 other bump:2.01034 Ang E4.OE2 and H6.CE1 other bump:2.87755 Ang E4.CD and H6.CD2 T0187 48 :IGNV 1lucA 75 :AIVL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 52 :QKVCDEAKSLAKEKG 1lucA 80 :TAHPVRQAEDVNLLD Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.37197 Ang S10.O and E14.OE2 other bump:0.957934 Ang S10.O and E14.OE1 other bump:1.79877 Ang S10.C and E14.OE1 other bump:2.70448 Ang L11.CA and E14.OE1 other bump:1.81274 Ang S10.O and E14.CD other bump:2.6491 Ang S10.C and E14.CD T0187 68 :NA 1lucA 95 :QM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 70 :EIITTSLDCE 1lucA 99 :GRFRFGICRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 80 :AREA 1lucA 124 :SRAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 84 :GRFIASIMKEVKFKDRPLKKPAALIFGGET 1lucA 167 :GAPVYVVAESASTTEWAAERGLPMILSWII Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 32 residues neighbor-bump: 1.96446 Ang K21.O and P22.CD neighbor-bump: 1.53526 Ang K21.C and P22.CD self-bump: 2.19243 Ang P22.CA and P22.CD other bump:1.5199 Ang F14.O and P18.CD other bump:2.72396 Ang F14.C and P18.CD other bump:3.08328 Ang K15.C and P18.CD other bump:2.1797 Ang F14.O and P18.CG other bump:3.2853 Ang F14.C and P18.CG other bump:2.49737 Ang F14.CE1 and R17.NH2 other bump:2.12726 Ang F14.CD1 and R17.NH2 other bump:2.48604 Ang M9.SD and K15.C other bump:3.0862 Ang M9.CE and K15.CE other bump:2.11342 Ang M9.CE and K15.CD other bump:2.44522 Ang M9.SD and K15.CG other bump:0.671918 Ang M9.CE and K15.CG other bump:1.99108 Ang M9.SD and K15.CB other bump:1.18506 Ang M9.CE and K15.CB other bump:2.84408 Ang M9.CG and K15.CA other bump:1.04828 Ang M9.SD and K15.CA other bump:2.00366 Ang M9.CE and K15.CA other bump:2.26276 Ang M9.CG and K15.N other bump:1.30427 Ang M9.SD and K15.N other bump:2.63809 Ang M9.CE and K15.N other bump:2.58316 Ang M9.CG and F14.C other bump:2.17383 Ang M9.SD and F14.C other bump:2.64173 Ang M9.SD and F14.O other bump:2.98171 Ang S7.CB and F14.CZ other bump:3.24281 Ang I8.C and F14.CZ other bump:2.477 Ang M9.N and F14.CE2 other bump:2.01318 Ang I8.O and F14.CE2 other bump:2.3065 Ang I8.C and F14.CE2 other bump:2.87558 Ang M9.CB and F14.CE2 other bump:2.42135 Ang M9.CA and F14.CE2 other bump:2.82371 Ang M9.N and F14.CD2 other bump:3.07899 Ang I8.C and F14.CD2 other bump:2.27658 Ang M9.CB and F14.CD2 other bump:2.59685 Ang M9.CG and F14.CD2 other bump:1.99137 Ang M9.CA and F14.CD2 other bump:3.08536 Ang M9.C and F14.CD2 other bump:2.98904 Ang M9.CG and F14.CG other bump:2.8378 Ang M9.CG and F14.CB other bump:3.16472 Ang M9.CG and F14.CA T0187 114 :VVHVKGNGIG 1lucA 222 :IDHCLSYITS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 124 :G 1lucA 298 :I Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 125 :RN 1lucA 302 :GT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues self-bump: 2.20292 Ang R2.CB and R2.C neighbor-bump: 2.0358 Ang G1.O and R2.CG neighbor-bump: 2.77948 Ang G1.C and R2.CG T0187 127 :QELALSAAIALE 1lucA 305 :EECIAIIQQDID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues T0187 139 :GIEGVILCS 1lucA 319 :GIDNICCGF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 149 :G 1lucA 329 :A Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues Number of specific fragments= 17 total=1194 Number of alignments=252 # Reading fragments from alignment file # T0187 read from 1lucA-T0187-local-adpstyle1.pw.a2m.gz # 1lucA read from 1lucA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 7 :SSTSEDALKVLEKYGIETSESVKRAILQ 1lucA 233 :DHDSNRAKDICRNFLGHWYDSYVNATKI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.19526 Ang A26.O and Q29.OE1 other bump:3.11566 Ang Y15.CE2 and T19.OG1 other bump:2.34939 Ang S2.OG and T4.OG1 T0187 39 :HLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 292 :IDYSYEINPVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 58 residues other bump:2.91037 Ang V14.CG1 and V57.CG2 other bump:2.65436 Ang V14.CG1 and E56.C other bump:2.07436 Ang V14.CG1 and E56.O other bump:2.69534 Ang V14.CG2 and E56.OE1 other bump:3.07959 Ang F49.CE2 and I53.CD1 other bump:2.47117 Ang C41.CB and E45.OE1 self-bump: 1.298 Ang C41.CA and C41.CB other bump:2.22918 Ang T37.O and D40.OD2 other bump:2.92701 Ang K28.CB and F30.CD2 other bump:2.96073 Ang L10.CD1 and A21.CB other bump:1.93949 Ang H9.N and E20.OE2 other bump:1.84286 Ang H9.CA and E20.OE2 other bump:2.41307 Ang H9.C and E20.OE2 other bump:1.89754 Ang I8.O and E20.OE2 other bump:1.98233 Ang I8.C and E20.OE2 other bump:1.90386 Ang H9.O and E20.OE1 other bump:2.28379 Ang H9.C and E20.OE1 other bump:2.5524 Ang H9.N and E20.CD other bump:2.64442 Ang H9.CA and E20.CD other bump:2.53034 Ang H9.C and E20.CD other bump:2.6865 Ang I8.C and E20.CD other bump:2.74476 Ang L10.CD1 and V17.C other bump:2.98482 Ang L10.CG and V17.C other bump:2.17498 Ang L10.CD2 and V17.C other bump:1.88617 Ang L10.CD1 and V17.O other bump:2.43305 Ang L10.CG and V17.O other bump:2.19137 Ang L10.CD2 and V17.O other bump:2.73073 Ang L10.CD1 and V17.CG1 other bump:2.89111 Ang L10.CB and V17.CG1 other bump:3.00302 Ang L10.CG and V17.CG1 other bump:3.05984 Ang L10.CD2 and V17.CG1 other bump:2.69706 Ang L10.CD2 and V17.CB other bump:2.79894 Ang L10.CG and V17.CA other bump:1.60145 Ang L10.CD2 and V17.CA other bump:2.6334 Ang L10.CD2 and V17.N other bump:3.0583 Ang L10.CD2 and K16.C other bump:2.87806 Ang V6.CB and I11.CD1 other bump:2.52688 Ang V6.CG1 and I11.CD1 other bump:2.77114 Ang V6.CG2 and I11.CD1 other bump:3.06857 Ang V6.CG1 and I11.CG1 other bump:2.36222 Ang N5.O and H9.ND1 other bump:3.01551 Ang N5.C and H9.ND1 other bump:1.99342 Ang G1.O and N5.OD1 other bump:2.76194 Ang H2.CA and N5.ND2 other bump:3.10754 Ang H2.CA and N5.CG Number of specific fragments= 2 total=1196 Number of alignments=253 # Reading fragments from alignment file # T0187 read from 1lucA-T0187-local-adpstyle5.pw.a2m.gz # 1lucA read from 1lucA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 8 :STSEDALKVLEKYGIETSESVKRAILQ 1lucA 234 :HDSNRAKDICRNFLGHWYDSYVNATKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.19526 Ang A25.O and Q28.OE1 other bump:3.11566 Ang Y14.CE2 and T18.OG1 T0187 39 :HLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 292 :IDYSYEINPVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 58 residues other bump:2.91037 Ang V14.CG1 and V57.CG2 other bump:2.65436 Ang V14.CG1 and E56.C other bump:2.07436 Ang V14.CG1 and E56.O other bump:2.69534 Ang V14.CG2 and E56.OE1 other bump:3.07959 Ang F49.CE2 and I53.CD1 other bump:2.47117 Ang C41.CB and E45.OE1 self-bump: 1.298 Ang C41.CA and C41.CB other bump:2.22918 Ang T37.O and D40.OD2 other bump:2.92701 Ang K28.CB and F30.CD2 other bump:2.96073 Ang L10.CD1 and A21.CB other bump:1.93949 Ang H9.N and E20.OE2 other bump:1.84286 Ang H9.CA and E20.OE2 other bump:2.41307 Ang H9.C and E20.OE2 other bump:1.89754 Ang I8.O and E20.OE2 other bump:1.98233 Ang I8.C and E20.OE2 other bump:1.90386 Ang H9.O and E20.OE1 other bump:2.28379 Ang H9.C and E20.OE1 other bump:2.5524 Ang H9.N and E20.CD other bump:2.64442 Ang H9.CA and E20.CD other bump:2.53034 Ang H9.C and E20.CD other bump:2.6865 Ang I8.C and E20.CD other bump:2.74476 Ang L10.CD1 and V17.C other bump:2.98482 Ang L10.CG and V17.C other bump:2.17498 Ang L10.CD2 and V17.C other bump:1.88617 Ang L10.CD1 and V17.O other bump:2.43305 Ang L10.CG and V17.O other bump:2.19137 Ang L10.CD2 and V17.O other bump:2.73073 Ang L10.CD1 and V17.CG1 other bump:2.89111 Ang L10.CB and V17.CG1 other bump:3.00302 Ang L10.CG and V17.CG1 other bump:3.05984 Ang L10.CD2 and V17.CG1 other bump:2.69706 Ang L10.CD2 and V17.CB other bump:2.79894 Ang L10.CG and V17.CA other bump:1.60145 Ang L10.CD2 and V17.CA other bump:2.6334 Ang L10.CD2 and V17.N other bump:3.0583 Ang L10.CD2 and K16.C other bump:2.87806 Ang V6.CB and I11.CD1 other bump:2.52688 Ang V6.CG1 and I11.CD1 other bump:2.77114 Ang V6.CG2 and I11.CD1 other bump:3.06857 Ang V6.CG1 and I11.CG1 other bump:2.36222 Ang N5.O and H9.ND1 other bump:3.01551 Ang N5.C and H9.ND1 other bump:1.99342 Ang G1.O and N5.OD1 other bump:2.76194 Ang H2.CA and N5.ND2 other bump:3.10754 Ang H2.CA and N5.CG Number of specific fragments= 2 total=1198 Number of alignments=254 # Reading fragments from alignment file # T0187 read from 1lucA-T0187-vit-adpstyle1.pw.a2m.gz # 1lucA read from 1lucA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 7 :SSTSEDALKVLEKYGIETSESVKRAILQ 1lucA 233 :DHDSNRAKDICRNFLGHWYDSYVNATKI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues other bump:2.19526 Ang A26.O and Q29.OE1 other bump:3.11566 Ang Y15.CE2 and T19.OG1 other bump:2.34939 Ang S2.OG and T4.OG1 T0187 39 :HLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 292 :IDYSYEINPVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 58 residues other bump:2.91037 Ang V14.CG1 and V57.CG2 other bump:2.65436 Ang V14.CG1 and E56.C other bump:2.07436 Ang V14.CG1 and E56.O other bump:2.69534 Ang V14.CG2 and E56.OE1 other bump:3.07959 Ang F49.CE2 and I53.CD1 other bump:2.47117 Ang C41.CB and E45.OE1 self-bump: 1.298 Ang C41.CA and C41.CB other bump:2.22918 Ang T37.O and D40.OD2 other bump:2.92701 Ang K28.CB and F30.CD2 other bump:2.96073 Ang L10.CD1 and A21.CB other bump:1.93949 Ang H9.N and E20.OE2 other bump:1.84286 Ang H9.CA and E20.OE2 other bump:2.41307 Ang H9.C and E20.OE2 other bump:1.89754 Ang I8.O and E20.OE2 other bump:1.98233 Ang I8.C and E20.OE2 other bump:1.90386 Ang H9.O and E20.OE1 other bump:2.28379 Ang H9.C and E20.OE1 other bump:2.5524 Ang H9.N and E20.CD other bump:2.64442 Ang H9.CA and E20.CD other bump:2.53034 Ang H9.C and E20.CD other bump:2.6865 Ang I8.C and E20.CD other bump:2.74476 Ang L10.CD1 and V17.C other bump:2.98482 Ang L10.CG and V17.C other bump:2.17498 Ang L10.CD2 and V17.C other bump:1.88617 Ang L10.CD1 and V17.O other bump:2.43305 Ang L10.CG and V17.O other bump:2.19137 Ang L10.CD2 and V17.O other bump:2.73073 Ang L10.CD1 and V17.CG1 other bump:2.89111 Ang L10.CB and V17.CG1 other bump:3.00302 Ang L10.CG and V17.CG1 other bump:3.05984 Ang L10.CD2 and V17.CG1 other bump:2.69706 Ang L10.CD2 and V17.CB other bump:2.79894 Ang L10.CG and V17.CA other bump:1.60145 Ang L10.CD2 and V17.CA other bump:2.6334 Ang L10.CD2 and V17.N other bump:3.0583 Ang L10.CD2 and K16.C other bump:2.87806 Ang V6.CB and I11.CD1 other bump:2.52688 Ang V6.CG1 and I11.CD1 other bump:2.77114 Ang V6.CG2 and I11.CD1 other bump:3.06857 Ang V6.CG1 and I11.CG1 other bump:2.36222 Ang N5.O and H9.ND1 other bump:3.01551 Ang N5.C and H9.ND1 other bump:1.99342 Ang G1.O and N5.OD1 other bump:2.76194 Ang H2.CA and N5.ND2 other bump:3.10754 Ang H2.CA and N5.CG Number of specific fragments= 2 total=1200 Number of alignments=255 # Reading fragments from alignment file # T0187 read from 1lucA-T0187-vit-adpstyle5.pw.a2m.gz # 1lucA read from 1lucA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 8 :STSEDALKVLEKYGIETSESVKRAILQ 1lucA 234 :HDSNRAKDICRNFLGHWYDSYVNATKI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:2.19526 Ang A25.O and Q28.OE1 other bump:3.11566 Ang Y14.CE2 and T18.OG1 T0187 39 :HLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 292 :IDYSYEINPVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 58 residues other bump:2.91037 Ang V14.CG1 and V57.CG2 other bump:2.65436 Ang V14.CG1 and E56.C other bump:2.07436 Ang V14.CG1 and E56.O other bump:2.69534 Ang V14.CG2 and E56.OE1 other bump:3.07959 Ang F49.CE2 and I53.CD1 other bump:2.47117 Ang C41.CB and E45.OE1 self-bump: 1.298 Ang C41.CA and C41.CB other bump:2.22918 Ang T37.O and D40.OD2 other bump:2.92701 Ang K28.CB and F30.CD2 other bump:2.96073 Ang L10.CD1 and A21.CB other bump:1.93949 Ang H9.N and E20.OE2 other bump:1.84286 Ang H9.CA and E20.OE2 other bump:2.41307 Ang H9.C and E20.OE2 other bump:1.89754 Ang I8.O and E20.OE2 other bump:1.98233 Ang I8.C and E20.OE2 other bump:1.90386 Ang H9.O and E20.OE1 other bump:2.28379 Ang H9.C and E20.OE1 other bump:2.5524 Ang H9.N and E20.CD other bump:2.64442 Ang H9.CA and E20.CD other bump:2.53034 Ang H9.C and E20.CD other bump:2.6865 Ang I8.C and E20.CD other bump:2.74476 Ang L10.CD1 and V17.C other bump:2.98482 Ang L10.CG and V17.C other bump:2.17498 Ang L10.CD2 and V17.C other bump:1.88617 Ang L10.CD1 and V17.O other bump:2.43305 Ang L10.CG and V17.O other bump:2.19137 Ang L10.CD2 and V17.O other bump:2.73073 Ang L10.CD1 and V17.CG1 other bump:2.89111 Ang L10.CB and V17.CG1 other bump:3.00302 Ang L10.CG and V17.CG1 other bump:3.05984 Ang L10.CD2 and V17.CG1 other bump:2.69706 Ang L10.CD2 and V17.CB other bump:2.79894 Ang L10.CG and V17.CA other bump:1.60145 Ang L10.CD2 and V17.CA other bump:2.6334 Ang L10.CD2 and V17.N other bump:3.0583 Ang L10.CD2 and K16.C other bump:2.87806 Ang V6.CB and I11.CD1 other bump:2.52688 Ang V6.CG1 and I11.CD1 other bump:2.77114 Ang V6.CG2 and I11.CD1 other bump:3.06857 Ang V6.CG1 and I11.CG1 other bump:2.36222 Ang N5.O and H9.ND1 other bump:3.01551 Ang N5.C and H9.ND1 other bump:1.99342 Ang G1.O and N5.OD1 other bump:2.76194 Ang H2.CA and N5.ND2 other bump:3.10754 Ang H2.CA and N5.CG Number of specific fragments= 2 total=1202 Number of alignments=256 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 1 :G 1lucA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWPDSSTSEDALK 1lucA 8 :LTYQPPELSQTEVM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.42221 Ang P5.CB and L14.CD1 other bump:2.55929 Ang P5.CG and L14.CD1 other bump:2.73763 Ang P5.CA and L14.CD1 neighbor-bump: 2.09862 Ang G1.C and P2.CD self-bump: 1.35972 Ang P2.N and P2.CD self-bump: 2.21631 Ang P2.N and P2.CG T0187 26 :ESVKRAILQETPKHLSNVEIH 1lucA 22 :KRLVNLGKASEGCGFDTVWLL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:2.21839 Ang E11.CD and V19.CG2 other bump:1.53942 Ang E11.OE1 and V19.CG2 other bump:2.55344 Ang E11.OE1 and V19.CB other bump:2.74539 Ang E11.OE1 and V19.CA other bump:2.79718 Ang E11.OE1 and N18.C other bump:2.79654 Ang E11.CG and L16.CB neighbor-bump: 2.6096 Ang T12.N and P13.CD T0187 47 :LIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRF 1lucA 51 :LLGNPYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 42 residues other bump:3.06969 Ang Q7.CD and R40.CD other bump:2.19845 Ang Q7.OE1 and R40.CD other bump:2.76262 Ang Q7.CD and R40.CB other bump:2.79486 Ang Q7.OE1 and R40.CB other bump:2.24928 Ang Q7.NE2 and R40.CB other bump:2.19653 Ang D32.O and E37.OE2 other bump:2.72811 Ang D32.C and E37.OE2 other bump:2.72372 Ang T28.OG1 and L31.CD1 self-bump: 2.20627 Ang T28.CA and T28.OG1 self-bump: 1.37106 Ang T28.CA and T28.CB neighbor-bump: 2.71158 Ang I26.CG2 and I27.N neighbor-bump: 2.71332 Ang E25.CA and I26.CA other bump:2.60178 Ang N23.ND2 and E25.CG other bump:3.00538 Ang C10.CA and F22.CZ other bump:2.96477 Ang C10.N and F22.CE2 other bump:2.63441 Ang C10.SG and F22.CE2 other bump:2.29865 Ang C10.CA and F22.CE2 other bump:2.03839 Ang C10.CB and F22.CE2 other bump:1.89898 Ang C10.SG and F22.CD2 other bump:2.75958 Ang C10.CA and F22.CD2 other bump:2.37776 Ang C10.CB and F22.CD2 other bump:3.00893 Ang C10.SG and F22.CG other bump:2.92458 Ang C10.SG and K14.NZ other bump:2.78526 Ang C10.SG and K14.CE T0187 89 :SIMKEVKFKDRPL 1lucA 91 :NLLDQMSKGRFRF Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.71254 Ang G1.C and R12.NH2 other bump:1.46606 Ang G1.O and R12.NH2 other bump:2.80999 Ang G1.C and R12.CZ other bump:2.43769 Ang G1.O and R12.CZ other bump:2.35693 Ang M4.CB and R12.NE other bump:3.16582 Ang M4.CG and R12.NE other bump:3.23643 Ang M4.SD and R12.NE other bump:2.52515 Ang M4.CB and R12.CD other bump:3.03691 Ang M4.CG and R12.CD other bump:2.54004 Ang M4.SD and R12.CD other bump:2.47453 Ang M4.CE and R12.CD other bump:2.33463 Ang K8.NZ and R12.CB other bump:2.38144 Ang K8.NZ and R12.CA other bump:2.16543 Ang K5.NZ and K10.CE other bump:2.36212 Ang K5.NZ and K10.CD T0187 106 :ALIFGGETV 1lucA 322 :NICCGFEAN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27547 Ang G7.O and V10.CG2 other bump:2.6822 Ang G7.O and V10.CB T0187 124 :GRNQELALSAAIALEGIEGV 1lucA 331 :GSEEEIIASMKLFQSDVMPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60621 Ang L15.CD1 and E19.OE1 T0187 146 :CSAG 1lucA 351 :LKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 8 total=1210 Number of alignments=257 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 1 :G 1lucA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWPDSS 1lucA 8 :LTYQPPE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.09862 Ang G1.C and P2.CD self-bump: 1.35972 Ang P2.N and P2.CD self-bump: 2.21631 Ang P2.N and P2.CG T0187 9 :TSEDALKVLEK 1lucA 16 :SQTEVMKRLVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 28 :VKRAIL 1lucA 27 :LGKASE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 34 :QETPKH 1lucA 43 :EHHFTE Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:3.26386 Ang E3.CD and G8.CA other bump:2.63035 Ang E3.OE2 and G8.CA neighbor-bump: 1.93029 Ang T4.CB and P5.CD neighbor-bump: 1.58235 Ang T4.CA and P5.CD neighbor-bump: 2.57218 Ang T4.OG1 and P5.CD neighbor-bump: 2.28389 Ang T4.O and P5.CD neighbor-bump: 1.18181 Ang T4.C and P5.CD self-bump: 1.21658 Ang P5.N and P5.CD neighbor-bump: 2.61441 Ang T4.CB and P5.CG neighbor-bump: 2.89545 Ang T4.CA and P5.CG neighbor-bump: 2.2213 Ang T4.C and P5.CG self-bump: 2.0588 Ang P5.N and P5.CG neighbor-bump: 2.47838 Ang T4.C and P5.CB self-bump: 2.14826 Ang P5.N and P5.CB T0187 45 :IHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRF 1lucA 49 :FGLLGNPYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDV Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 44 residues other bump:3.06969 Ang Q9.CD and R42.CD other bump:2.19845 Ang Q9.OE1 and R42.CD other bump:2.76262 Ang Q9.CD and R42.CB other bump:2.24928 Ang Q9.NE2 and R42.CB other bump:2.79486 Ang Q9.OE1 and R42.CB other bump:2.19653 Ang D34.O and E39.OE2 other bump:2.72811 Ang D34.C and E39.OE2 other bump:2.72372 Ang T30.OG1 and L33.CD1 self-bump: 2.20627 Ang T30.CA and T30.OG1 self-bump: 1.37106 Ang T30.CA and T30.CB neighbor-bump: 2.71158 Ang I28.CG2 and I29.N neighbor-bump: 2.71332 Ang E27.CA and I28.CA other bump:2.60178 Ang N25.ND2 and E27.CG other bump:3.00538 Ang C12.CA and F24.CZ other bump:2.96477 Ang C12.N and F24.CE2 other bump:2.63441 Ang C12.SG and F24.CE2 other bump:2.29865 Ang C12.CA and F24.CE2 other bump:2.03839 Ang C12.CB and F24.CE2 other bump:1.89898 Ang C12.SG and F24.CD2 other bump:2.75958 Ang C12.CA and F24.CD2 other bump:2.37776 Ang C12.CB and F24.CD2 other bump:3.00893 Ang C12.SG and F24.CG other bump:2.92458 Ang C12.SG and K16.NZ other bump:2.78526 Ang C12.SG and K16.CE neighbor-bump: 2.63381 Ang I2.O and H3.CE1 neighbor-bump: 2.34691 Ang I2.O and H3.ND1 neighbor-bump: 2.77781 Ang I2.CG2 and H3.ND1 neighbor-bump: 2.43204 Ang I2.O and H3.CD2 neighbor-bump: 2.1742 Ang I2.O and H3.CG neighbor-bump: 2.7612 Ang I2.C and H3.CG T0187 89 :SIMKEVK 1lucA 91 :NLLDQMS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 98 :DRPL 1lucA 98 :KGRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 107 :LIFGGET 1lucA 323 :ICCGFEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 123 :GGRNQELALSAAIALEGIEG 1lucA 330 :NGSEEEIIASMKLFQSDVMP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60621 Ang L16.CD1 and E20.OE1 T0187 145 :LCSAG 1lucA 350 :YLKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 11 total=1221 Number of alignments=258 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.91037 Ang V5.CG1 and V48.CG2 other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:2.69534 Ang V5.CG2 and E47.OE1 other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=1222 Number of alignments=259 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 35 :ETPKHLSNV 1lucA 292 :IDYSYEINP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.14566 Ang E2.CD and K5.NZ other bump:0.943073 Ang E2.OE1 and K5.NZ other bump:2.26892 Ang E2.CB and K5.NZ other bump:1.66012 Ang E2.CG and K5.NZ other bump:1.28433 Ang E2.CD and K5.CE other bump:1.07456 Ang E2.OE1 and K5.CE other bump:2.29341 Ang E2.CA and K5.CE other bump:2.47963 Ang E2.CB and K5.CE other bump:2.25094 Ang E2.CG and K5.CE other bump:2.74448 Ang E2.CD and K5.CD other bump:1.88172 Ang E2.OE1 and K5.CD other bump:2.70697 Ang E2.CA and K5.CD other bump:2.89145 Ang E2.CA and K5.CG other bump:3.06549 Ang E2.C and K5.CG neighbor-bump: 2.65094 Ang T3.CB and P4.CD neighbor-bump: 2.12837 Ang T3.C and P4.CD self-bump: 1.32353 Ang P4.N and P4.CD self-bump: 2.202 Ang P4.N and P4.CG T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIM 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 2 total=1224 Number of alignments=260 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 1 :GPAW 1lucA 1 :MKFG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 5 :PDSSTSEDALKVLEKYGI 1lucA 12 :PPELSQTEVMKRLVNLGK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.19478 Ang V13.CG1 and Y17.CE1 other bump:2.61902 Ang V13.O and Y17.CD1 other bump:2.57653 Ang V13.CG1 and Y17.CD1 T0187 26 :ESVKRAILQETPKHLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRF 1lucA 30 :ASEGCGFDTVWLLEHHFTEFGLLGNPYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDV Fragment has 61 clashes (null) has 61 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 63 residues other bump:3.06969 Ang Q28.CD and R61.CD other bump:2.19845 Ang Q28.OE1 and R61.CD other bump:2.24928 Ang Q28.NE2 and R61.CB other bump:2.76262 Ang Q28.CD and R61.CB other bump:2.79486 Ang Q28.OE1 and R61.CB other bump:2.19653 Ang D53.O and E58.OE2 other bump:2.72811 Ang D53.C and E58.OE2 other bump:2.72372 Ang T49.OG1 and L52.CD1 self-bump: 2.20627 Ang T49.CA and T49.OG1 self-bump: 1.37106 Ang T49.CA and T49.CB neighbor-bump: 2.71158 Ang I47.CG2 and I48.N neighbor-bump: 2.71332 Ang E46.CA and I47.CA other bump:2.60178 Ang N44.ND2 and E46.CG other bump:2.67741 Ang T12.CG2 and E46.CG other bump:2.71357 Ang T12.CG2 and E46.CB other bump:3.10404 Ang P13.CD and N44.C other bump:1.89806 Ang P13.CD and N44.O other bump:2.41927 Ang T12.OG1 and N44.OD1 other bump:2.50249 Ang T12.CG2 and N44.ND2 other bump:3.00538 Ang C31.CA and F43.CZ other bump:2.57635 Ang P13.CG and F43.CZ other bump:2.03839 Ang C31.CB and F43.CE2 other bump:2.63441 Ang C31.SG and F43.CE2 other bump:2.96477 Ang C31.N and F43.CE2 other bump:2.29865 Ang C31.CA and F43.CE2 other bump:2.58633 Ang P13.CG and F43.CE1 other bump:2.37776 Ang C31.CB and F43.CD2 other bump:1.89898 Ang C31.SG and F43.CD2 other bump:2.75958 Ang C31.CA and F43.CD2 other bump:3.00893 Ang C31.SG and F43.CG other bump:2.46403 Ang Q10.OE1 and G42.C other bump:3.16452 Ang Q10.CD and G42.CA other bump:2.59431 Ang Q10.OE1 and G42.CA other bump:2.34812 Ang E11.N and K41.NZ other bump:2.77239 Ang E11.CA and K41.NZ other bump:2.275 Ang E11.CB and K41.NZ other bump:2.92458 Ang C31.SG and K35.NZ other bump:2.78526 Ang C31.SG and K35.CE other bump:2.69621 Ang H15.CE1 and G25.C other bump:2.61481 Ang H15.ND1 and G25.C other bump:1.78466 Ang H15.CE1 and G25.O other bump:2.01671 Ang H15.ND1 and G25.O other bump:3.05179 Ang H15.ND1 and G25.CA other bump:3.0602 Ang L16.CD2 and H22.C other bump:2.01872 Ang L16.CD2 and H22.O neighbor-bump: 2.63381 Ang I21.O and H22.CE1 other bump:2.4783 Ang L16.CD1 and H22.ND1 neighbor-bump: 2.77781 Ang I21.CG2 and H22.ND1 neighbor-bump: 2.34691 Ang I21.O and H22.ND1 neighbor-bump: 2.43203 Ang I21.O and H22.CD2 neighbor-bump: 2.1742 Ang I21.O and H22.CG neighbor-bump: 2.7612 Ang I21.C and H22.CG other bump:2.8645 Ang L16.CB and H22.CB other bump:2.67066 Ang L16.CD1 and H22.CB other bump:2.98915 Ang L16.CD1 and H22.CA other bump:2.46114 Ang L16.CD1 and H22.N other bump:2.76034 Ang L16.CD1 and I21.C other bump:2.85463 Ang L16.CD1 and I21.CG2 other bump:2.96944 Ang L16.CD1 and I21.CB neighbor-bump: 2.24017 Ang R6.O and A7.CB neighbor-bump: 2.50581 Ang R6.C and A7.CB T0187 89 :SIMKEVKFKDRPL 1lucA 91 :NLLDQMSKGRFRF Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues other bump:1.71254 Ang G1.C and R12.NH2 other bump:1.46606 Ang G1.O and R12.NH2 other bump:2.80999 Ang G1.C and R12.CZ other bump:2.43769 Ang G1.O and R12.CZ other bump:2.35693 Ang M4.CB and R12.NE other bump:3.16582 Ang M4.CG and R12.NE other bump:3.23643 Ang M4.SD and R12.NE other bump:2.52515 Ang M4.CB and R12.CD other bump:3.03691 Ang M4.CG and R12.CD other bump:2.54004 Ang M4.SD and R12.CD other bump:2.47453 Ang M4.CE and R12.CD other bump:2.33463 Ang K8.NZ and R12.CB other bump:2.38144 Ang K8.NZ and R12.CA other bump:2.16543 Ang K5.NZ and K10.CE other bump:2.36212 Ang K5.NZ and K10.CD T0187 106 :ALIFGGE 1lucA 322 :NICCGFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 122 :IGGRNQELALSAAIALEGIEGV 1lucA 329 :ANGSEEEIIASMKLFQSDVMPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.60621 Ang L17.CD1 and E21.OE1 T0187 146 :CSAG 1lucA 351 :LKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 7 total=1231 Number of alignments=261 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 1 :G 1lucA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 3 :AW 1lucA 9 :TY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 5 :PDSSTSEDALKVLEKYGIE 1lucA 12 :PPELSQTEVMKRLVNLGKA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.19478 Ang V13.CG1 and Y17.CE1 other bump:2.61902 Ang V13.O and Y17.CD1 other bump:2.57653 Ang V13.CG1 and Y17.CD1 T0187 27 :S 1lucA 31 :S Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 33 :L 1lucA 32 :E Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 34 :QETPKHL 1lucA 43 :EHHFTEF Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.65392 Ang E3.CD and G9.CA other bump:1.89276 Ang E3.OE1 and G9.CA other bump:2.02533 Ang E3.CD and G9.N other bump:1.28468 Ang E3.OE1 and G9.N other bump:2.36668 Ang E3.OE2 and G9.N other bump:2.71207 Ang E3.CD and L8.C other bump:2.43813 Ang E3.OE1 and L8.C other bump:2.38307 Ang E3.OE2 and L8.C other bump:2.61011 Ang E3.OE2 and L8.CD2 other bump:2.18069 Ang E3.OE2 and L8.CB other bump:3.26386 Ang E3.CD and L8.CA other bump:2.63035 Ang E3.OE2 and L8.CA neighbor-bump: 1.93029 Ang T4.CB and P5.CD neighbor-bump: 2.57218 Ang T4.OG1 and P5.CD neighbor-bump: 1.58235 Ang T4.CA and P5.CD neighbor-bump: 1.18181 Ang T4.C and P5.CD neighbor-bump: 2.28389 Ang T4.O and P5.CD self-bump: 1.21658 Ang P5.N and P5.CD neighbor-bump: 2.61441 Ang T4.CB and P5.CG neighbor-bump: 2.89545 Ang T4.CA and P5.CG neighbor-bump: 2.2213 Ang T4.C and P5.CG self-bump: 2.0588 Ang P5.N and P5.CG neighbor-bump: 2.47838 Ang T4.C and P5.CB self-bump: 2.14826 Ang P5.N and P5.CB T0187 46 :HLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRF 1lucA 50 :GLLGNPYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDV Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 43 residues other bump:3.06969 Ang Q8.CD and R41.CD other bump:2.19845 Ang Q8.OE1 and R41.CD other bump:2.76262 Ang Q8.CD and R41.CB other bump:2.79486 Ang Q8.OE1 and R41.CB other bump:2.24928 Ang Q8.NE2 and R41.CB other bump:2.19653 Ang D33.O and E38.OE2 other bump:2.72811 Ang D33.C and E38.OE2 other bump:2.72372 Ang T29.OG1 and L32.CD1 self-bump: 2.20627 Ang T29.CA and T29.OG1 self-bump: 1.37106 Ang T29.CA and T29.CB neighbor-bump: 2.71158 Ang I27.CG2 and I28.N neighbor-bump: 2.71332 Ang E26.CA and I27.CA other bump:2.60178 Ang N24.ND2 and E26.CG other bump:3.00538 Ang C11.CA and F23.CZ other bump:2.96477 Ang C11.N and F23.CE2 other bump:2.63441 Ang C11.SG and F23.CE2 other bump:2.29865 Ang C11.CA and F23.CE2 other bump:2.03839 Ang C11.CB and F23.CE2 other bump:1.89898 Ang C11.SG and F23.CD2 other bump:2.75958 Ang C11.CA and F23.CD2 other bump:2.37776 Ang C11.CB and F23.CD2 other bump:3.00893 Ang C11.SG and F23.CG other bump:2.92458 Ang C11.SG and K15.NZ other bump:2.78526 Ang C11.SG and K15.CE T0187 89 :SIMKEVKFKD 1lucA 91 :NLLDQMSKGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.38144 Ang K8.NZ and G12.CA other bump:2.16543 Ang K5.NZ and K10.CE other bump:2.36212 Ang K5.NZ and K10.CD T0187 106 :ALIFGGE 1lucA 322 :NICCGFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 122 :IGGRNQELALSAAIALEGIEGV 1lucA 329 :ANGSEEEIIASMKLFQSDVMPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.60621 Ang L17.CD1 and E21.OE1 T0187 146 :CSAG 1lucA 351 :LKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 11 total=1242 Number of alignments=262 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.91037 Ang V5.CG1 and V48.CG2 other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:2.69534 Ang V5.CG2 and E47.OE1 other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=1243 Number of alignments=263 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 35 :ETPKHLSN 1lucA 292 :IDYSYEIN Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.66012 Ang E2.CG and K5.NZ other bump:1.14566 Ang E2.CD and K5.NZ other bump:0.943073 Ang E2.OE1 and K5.NZ other bump:2.26892 Ang E2.CB and K5.NZ other bump:2.29341 Ang E2.CA and K5.CE other bump:2.25094 Ang E2.CG and K5.CE other bump:1.28433 Ang E2.CD and K5.CE other bump:1.07456 Ang E2.OE1 and K5.CE other bump:2.47963 Ang E2.CB and K5.CE other bump:2.70697 Ang E2.CA and K5.CD other bump:2.74448 Ang E2.CD and K5.CD other bump:1.88172 Ang E2.OE1 and K5.CD other bump:2.89145 Ang E2.CA and K5.CG other bump:3.06549 Ang E2.C and K5.CG neighbor-bump: 2.65094 Ang T3.CB and P4.CD neighbor-bump: 2.12837 Ang T3.C and P4.CD self-bump: 1.32353 Ang P4.N and P4.CD self-bump: 2.202 Ang P4.N and P4.CG T0187 47 :LIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVK 1lucA 300 :PVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDVM Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 51 residues other bump:2.91037 Ang V6.CG1 and V49.CG2 other bump:2.65436 Ang V6.CG1 and E48.C other bump:2.07436 Ang V6.CG1 and E48.O other bump:2.69534 Ang V6.CG2 and E48.OE1 other bump:3.07959 Ang F41.CE2 and I45.CD1 other bump:2.47117 Ang C33.CB and E37.OE1 self-bump: 1.298 Ang C33.CA and C33.CB other bump:2.22918 Ang T29.O and D32.OD2 other bump:2.92701 Ang K20.CB and F22.CD2 other bump:2.96071 Ang L2.CD1 and A13.CB other bump:2.41307 Ang G1.C and E12.OE2 other bump:1.90386 Ang G1.O and E12.OE1 other bump:2.28379 Ang G1.C and E12.OE1 other bump:2.53034 Ang G1.C and E12.CD other bump:2.74481 Ang L2.CD1 and V9.C other bump:2.98483 Ang L2.CG and V9.C other bump:2.17497 Ang L2.CD2 and V9.C other bump:1.88622 Ang L2.CD1 and V9.O other bump:2.43305 Ang L2.CG and V9.O other bump:2.19135 Ang L2.CD2 and V9.O other bump:2.73073 Ang L2.CD1 and V9.CG1 other bump:2.89112 Ang L2.CB and V9.CG1 other bump:3.00301 Ang L2.CG and V9.CG1 other bump:3.05981 Ang L2.CD2 and V9.CG1 other bump:2.69704 Ang L2.CD2 and V9.CB other bump:2.79896 Ang L2.CG and V9.CA other bump:1.60145 Ang L2.CD2 and V9.CA other bump:2.63342 Ang L2.CD2 and V9.N other bump:3.05833 Ang L2.CD2 and K8.C Number of specific fragments= 2 total=1245 Number of alignments=264 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 1 :G 1lucA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWPDSSTSED 1lucA 8 :LTYQPPELSQT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues neighbor-bump: 2.09862 Ang G1.C and P2.CD self-bump: 1.35972 Ang P2.N and P2.CD self-bump: 2.21631 Ang P2.N and P2.CG T0187 26 :ESVKRAILQETPKHLSNVEIHLIGNVQK 1lucA 19 :EVMKRLVNLGKASEGCGFDTVWLLEHHF Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 30 residues neighbor-bump: 2.25012 Ang V27.O and Q28.OE1 other bump:2.99713 Ang H22.NE2 and I24.CG1 other bump:2.72676 Ang K14.NZ and H22.CA other bump:2.73111 Ang K14.NZ and I21.C other bump:1.76286 Ang K14.NZ and I21.O other bump:3.09021 Ang K14.NZ and V19.CG1 other bump:3.18521 Ang K14.CD and V19.CG1 other bump:1.67738 Ang L9.O and P13.CD other bump:2.79495 Ang L9.C and P13.CD neighbor-bump: 2.49084 Ang T12.N and P13.CD neighbor-bump: 2.10312 Ang T12.C and P13.CD other bump:3.12152 Ang Q10.C and P13.CD self-bump: 1.32111 Ang P13.N and P13.CD other bump:1.79031 Ang L9.O and P13.CG other bump:2.95119 Ang L9.C and P13.CG self-bump: 2.1963 Ang P13.N and P13.CG T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRPL 1lucA 55 :PYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDVNLLDQMSKGRFR Fragment has 52 clashes (null) has 52 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 50 residues other bump:2.48223 Ang I19.CG2 and L49.CD1 other bump:2.55268 Ang I19.CG2 and L49.CG other bump:1.85915 Ang I19.CG2 and L49.CB other bump:3.07191 Ang I19.CB and L49.CB other bump:2.98985 Ang I19.CG2 and L49.CA neighbor-bump: 2.4393 Ang R47.N and P48.CD other bump:2.41248 Ang E41.OE2 and D46.OD1 other bump:2.74245 Ang E41.OE2 and D46.CA other bump:3.05534 Ang K7.CA and F44.CZ other bump:3.28396 Ang K7.C and F44.CZ other bump:2.23127 Ang A10.CB and F44.CZ other bump:2.49021 Ang A10.C and F44.CE2 other bump:2.79893 Ang K11.N and F44.CE2 other bump:1.37501 Ang A10.CB and F44.CE2 other bump:2.35052 Ang A10.CA and F44.CE2 other bump:3.03114 Ang A10.CB and F44.CE1 other bump:3.11719 Ang A10.C and F44.CD2 other bump:1.75653 Ang A10.CB and F44.CD2 other bump:2.91252 Ang A10.CA and F44.CD2 other bump:2.72164 Ang A10.CB and F44.CG other bump:2.55164 Ang K7.CE and K43.CE other bump:2.66102 Ang C3.SG and K40.NZ other bump:2.82684 Ang F34.CE2 and I38.CD1 other bump:2.73417 Ang F34.CZ and I38.CD1 other bump:2.91669 Ang A28.C and R33.NH2 other bump:1.93774 Ang E30.OE2 and R33.NH2 other bump:1.74703 Ang A28.O and R33.NH2 other bump:2.16428 Ang A28.C and R33.NH1 other bump:2.04411 Ang A28.CA and R33.NH1 other bump:2.16566 Ang A28.CB and R33.NH1 other bump:1.98095 Ang A28.O and R33.NH1 other bump:2.09793 Ang A28.N and R33.NH1 other bump:2.69939 Ang A28.C and R33.CZ other bump:3.19305 Ang A28.CA and R33.CZ other bump:2.45922 Ang D25.O and R33.CZ other bump:1.95772 Ang A28.O and R33.CZ other bump:2.39284 Ang L24.CD2 and E27.OE2 other bump:2.94191 Ang I20.CD1 and S23.CB neighbor-bump: 2.79251 Ang T21.CA and T22.CG2 neighbor-bump: 2.71332 Ang T21.CA and T22.CA other bump:2.04198 Ang A6.CA and E18.OE2 other bump:2.73014 Ang A6.CB and E18.OE2 other bump:2.22125 Ang A6.CA and E18.OE1 other bump:2.54924 Ang A6.CB and E18.OE1 other bump:1.94409 Ang A6.O and E18.OE1 other bump:2.29161 Ang A6.C and E18.OE1 other bump:2.34034 Ang A6.CA and E18.CD other bump:2.64054 Ang A6.CB and E18.CD other bump:3.0594 Ang A6.C and E18.CD other bump:2.66134 Ang L9.CD1 and K13.NZ other bump:2.05249 Ang K7.CE and K11.NZ other bump:2.74403 Ang K7.CD and K11.NZ T0187 124 :GRNQELALSAAIALEGIEGV 1lucA 331 :GSEEEIIASMKLFQSDVMPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.60621 Ang L15.CD1 and E19.OE1 T0187 146 :CSAG 1lucA 351 :LKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 6 total=1251 Number of alignments=265 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 1 :G 1lucA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWPDSS 1lucA 8 :LTYQPPE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.09862 Ang G1.C and P2.CD self-bump: 1.35972 Ang P2.N and P2.CD self-bump: 2.21631 Ang P2.N and P2.CG T0187 9 :TSEDALKVLEKYGI 1lucA 16 :SQTEVMKRLVNLGK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues other bump:2.19478 Ang V9.CG1 and Y13.CE1 other bump:2.61902 Ang V9.O and Y13.CD1 other bump:2.57653 Ang V9.CG1 and Y13.CD1 T0187 36 :TPKHLSNVEIHLIGNV 1lucA 30 :ASEGCGFDTVWLLEHH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.87559 Ang G1.C and P3.CD neighbor-bump: 2.36323 Ang T2.N and P3.CD T0187 54 :VCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEVKFKDRP 1lucA 55 :PYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDVNLLDQMSKGRF Fragment has 48 clashes (null) has 48 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.98985 Ang I19.CG2 and G49.CA neighbor-bump: 2.4393 Ang R47.N and P48.CD other bump:2.41248 Ang E41.OE2 and D46.OD1 other bump:2.74245 Ang E41.OE2 and D46.CA other bump:3.05534 Ang K7.CA and F44.CZ other bump:3.28396 Ang K7.C and F44.CZ other bump:2.23127 Ang A10.CB and F44.CZ other bump:2.49021 Ang A10.C and F44.CE2 other bump:2.79893 Ang K11.N and F44.CE2 other bump:1.37501 Ang A10.CB and F44.CE2 other bump:2.35052 Ang A10.CA and F44.CE2 other bump:3.03114 Ang A10.CB and F44.CE1 other bump:3.11719 Ang A10.C and F44.CD2 other bump:1.75653 Ang A10.CB and F44.CD2 other bump:2.91252 Ang A10.CA and F44.CD2 other bump:2.72164 Ang A10.CB and F44.CG other bump:2.55164 Ang K7.CE and K43.CE other bump:2.66102 Ang C3.SG and K40.NZ other bump:2.82684 Ang F34.CE2 and I38.CD1 other bump:2.73417 Ang F34.CZ and I38.CD1 other bump:2.91669 Ang A28.C and R33.NH2 other bump:1.93774 Ang E30.OE2 and R33.NH2 other bump:1.74703 Ang A28.O and R33.NH2 other bump:2.16428 Ang A28.C and R33.NH1 other bump:2.04411 Ang A28.CA and R33.NH1 other bump:2.16566 Ang A28.CB and R33.NH1 other bump:1.98095 Ang A28.O and R33.NH1 other bump:2.09793 Ang A28.N and R33.NH1 other bump:2.69939 Ang A28.C and R33.CZ other bump:3.19305 Ang A28.CA and R33.CZ other bump:2.45922 Ang D25.O and R33.CZ other bump:1.95772 Ang A28.O and R33.CZ other bump:2.39284 Ang L24.CD2 and E27.OE2 other bump:2.94191 Ang I20.CD1 and S23.CB neighbor-bump: 2.79251 Ang T21.CA and T22.CG2 neighbor-bump: 2.71332 Ang T21.CA and T22.CA other bump:2.04198 Ang A6.CA and E18.OE2 other bump:2.73014 Ang A6.CB and E18.OE2 other bump:2.22125 Ang A6.CA and E18.OE1 other bump:2.54924 Ang A6.CB and E18.OE1 other bump:1.94409 Ang A6.O and E18.OE1 other bump:2.29161 Ang A6.C and E18.OE1 other bump:2.34034 Ang A6.CA and E18.CD other bump:2.64054 Ang A6.CB and E18.CD other bump:3.0594 Ang A6.C and E18.CD other bump:2.66134 Ang L9.CD1 and K13.NZ other bump:2.05249 Ang K7.CE and K11.NZ other bump:2.74403 Ang K7.CD and K11.NZ T0187 122 :IGGRNQELALSAAIALEGIEGV 1lucA 329 :ANGSEEEIIASMKLFQSDVMPY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.60621 Ang L17.CD1 and E21.OE1 T0187 146 :CSAG 1lucA 351 :LKEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 7 total=1258 Number of alignments=266 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 1 :G 1lucA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWPDSS 1lucA 8 :LTYQPPE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.09862 Ang G1.C and P2.CD self-bump: 1.35972 Ang P2.N and P2.CD self-bump: 2.21631 Ang P2.N and P2.CG T0187 9 :TSEDALKVLEK 1lucA 16 :SQTEVMKRLVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues T0187 20 :YGIETSESVKRAIL 1lucA 49 :FGLLGNPYVAAAHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 40 :LSNVEIHL 1lucA 66 :TETLNVGT Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.67156 Ang E6.OE2 and H8.NE2 other bump:1.98668 Ang E6.CD and H8.NE2 other bump:2.01034 Ang E6.OE2 and H8.CE1 other bump:2.87755 Ang E6.CD and H8.CD2 other bump:3.12944 Ang L2.CD1 and V5.CB T0187 48 :IG 1lucA 76 :IV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 50 :NVQKVCDEAKSLAKEKG 1lucA 82 :HPVRQAEDVNLLDQMSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 67 :FNAEIITTSLDCE 1lucA 100 :RFRFGICRGLYDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 15 residues neighbor-bump: 2.18056 Ang T9.O and S10.OG T0187 80 :AREAGRFIASIMKEVKFK 1lucA 124 :SRALMDCWYDLMKEGFNE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 20 residues other bump:2.25276 Ang K14.NZ and F18.CZ other bump:2.17386 Ang K14.CE and F18.CZ other bump:3.15414 Ang K14.NZ and F18.CE2 other bump:2.7986 Ang K14.NZ and F18.CE1 other bump:2.61059 Ang K14.CG and F18.CE1 other bump:2.55574 Ang K14.CD and F18.CE1 other bump:2.01881 Ang K14.CE and F18.CE1 other bump:2.55788 Ang F8.CE1 and I12.CD1 T0187 111 :GETVVH 1lucA 142 :GYIAAD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 117 :VKGN 1lucA 156 :IQLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 121 :GIGGR 1lucA 164 :TQGGA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.1608 Ang I3.CG2 and G4.N self-bump: 2.42228 Ang I3.CG2 and I3.C self-bump: 1.32781 Ang I3.CA and I3.CB T0187 126 :NQELALSAAIALEGIE 1lucA 203 :AQLDLYNEVATEHGYD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.63618 Ang I11.CG2 and I16.CB other bump:2.00056 Ang L7.CD1 and I11.CD1 other bump:3.20196 Ang L7.CD1 and I11.CG1 T0187 142 :GVILCSAG 1lucA 223 :DHCLSYIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 14 total=1272 Number of alignments=267 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 1 :G 1lucA 1 :M Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 2 residues T0187 2 :PAWPDSS 1lucA 8 :LTYQPPE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues neighbor-bump: 2.09862 Ang G1.C and P2.CD self-bump: 1.35972 Ang P2.N and P2.CD self-bump: 2.21631 Ang P2.N and P2.CG T0187 10 :SEDALKVLEKY 1lucA 21 :MKRLVNLGKAS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 13 residues other bump:2.73212 Ang L6.CD1 and E10.OE1 other bump:2.9863 Ang D4.OD1 and V8.CG2 T0187 21 :GIE 1lucA 35 :GFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 24 :TSESVKRAIL 1lucA 53 :GNPYVAAAHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 34 :Q 1lucA 66 :T Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 41 :SNVEIHL 1lucA 67 :ETLNVGT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:1.98668 Ang E5.CD and H7.NE2 other bump:1.67156 Ang E5.OE2 and H7.NE2 other bump:2.01034 Ang E5.OE2 and H7.CE1 other bump:2.87755 Ang E5.CD and H7.CD2 T0187 48 :IG 1lucA 76 :IV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 50 :NVQKVCDEAKSLAK 1lucA 82 :HPVRQAEDVNLLDQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 16 residues T0187 64 :EKGFNAEIITTSLDCE 1lucA 97 :SKGRFRFGICRGLYDK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 2.18056 Ang T12.O and S13.OG other bump:2.91103 Ang E2.O and F5.CE2 other bump:2.28288 Ang E2.O and F5.CD2 T0187 80 :AREAGRFIASIMKEVKFKD 1lucA 124 :SRALMDCWYDLMKEGFNEG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.25276 Ang K14.NZ and F18.CZ other bump:2.17386 Ang K14.CE and F18.CZ other bump:3.15414 Ang K14.NZ and F18.CE2 other bump:2.7986 Ang K14.NZ and F18.CE1 other bump:2.61059 Ang K14.CG and F18.CE1 other bump:2.55574 Ang K14.CD and F18.CE1 other bump:2.01881 Ang K14.CE and F18.CE1 other bump:2.55788 Ang F8.CE1 and I12.CD1 T0187 101 :LKKPA 1lucA 148 :NEHIK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 1.62693 Ang K4.C and P5.CD neighbor-bump: 2.15433 Ang K4.CA and P5.CD neighbor-bump: 2.05256 Ang K4.CB and P5.CD neighbor-bump: 2.48831 Ang K4.C and P5.CG neighbor-bump: 3.12626 Ang K4.CB and P5.CG T0187 113 :T 1lucA 153 :F Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 114 :VVHVKGN 1lucA 155 :KIQLNPS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 121 :GIGGR 1lucA 164 :TQGGA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues neighbor-bump: 2.1608 Ang I3.CG2 and G4.N self-bump: 2.42228 Ang I3.CG2 and I3.C self-bump: 1.32781 Ang I3.CA and I3.CB T0187 126 :NQELAL 1lucA 202 :KAQLDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues T0187 132 :SAAIALEGIE 1lucA 209 :NEVATEHGYD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.63618 Ang I5.CG2 and I10.CB T0187 142 :GVILCSAG 1lucA 223 :DHCLSYIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 18 total=1290 Number of alignments=268 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.91037 Ang V5.CG1 and V48.CG2 other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:2.69534 Ang V5.CG2 and E47.OE1 other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=1291 Number of alignments=269 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 35 :ETPKHLSNV 1lucA 292 :IDYSYEINP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.14566 Ang E2.CD and K5.NZ other bump:0.943073 Ang E2.OE1 and K5.NZ other bump:2.26892 Ang E2.CB and K5.NZ other bump:1.66012 Ang E2.CG and K5.NZ other bump:1.28433 Ang E2.CD and K5.CE other bump:1.07456 Ang E2.OE1 and K5.CE other bump:2.29341 Ang E2.CA and K5.CE other bump:2.47963 Ang E2.CB and K5.CE other bump:2.25094 Ang E2.CG and K5.CE other bump:2.74448 Ang E2.CD and K5.CD other bump:1.88172 Ang E2.OE1 and K5.CD other bump:2.70697 Ang E2.CA and K5.CD other bump:2.89145 Ang E2.CA and K5.CG other bump:3.06549 Ang E2.C and K5.CG neighbor-bump: 2.65094 Ang T3.CB and P4.CD neighbor-bump: 2.12837 Ang T3.C and P4.CD self-bump: 1.32353 Ang P4.N and P4.CD self-bump: 2.202 Ang P4.N and P4.CG T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKE 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 2 total=1293 Number of alignments=270 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKEV 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSDV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 49 residues other bump:2.91037 Ang V5.CG1 and V48.CG2 other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:2.69534 Ang V5.CG2 and E47.OE1 other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=1294 Number of alignments=271 # Reading fragments from alignment file # T0187 read from T0187-1lucA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 35 :ETPKHLSNV 1lucA 292 :IDYSYEINP Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.14566 Ang E2.CD and K5.NZ other bump:0.943073 Ang E2.OE1 and K5.NZ other bump:2.26892 Ang E2.CB and K5.NZ other bump:1.66012 Ang E2.CG and K5.NZ other bump:1.28433 Ang E2.CD and K5.CE other bump:1.07456 Ang E2.OE1 and K5.CE other bump:2.29341 Ang E2.CA and K5.CE other bump:2.47963 Ang E2.CB and K5.CE other bump:2.25094 Ang E2.CG and K5.CE other bump:2.74448 Ang E2.CD and K5.CD other bump:1.88172 Ang E2.OE1 and K5.CD other bump:2.70697 Ang E2.CA and K5.CD other bump:2.89145 Ang E2.CA and K5.CG other bump:3.06549 Ang E2.C and K5.CG neighbor-bump: 2.65094 Ang T3.CB and P4.CD neighbor-bump: 2.12837 Ang T3.C and P4.CD self-bump: 1.32353 Ang P4.N and P4.CD self-bump: 2.202 Ang P4.N and P4.CG T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREAGRFIASIMKE 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEIIASMKLFQSD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 48 residues other bump:2.65436 Ang V5.CG1 and E47.C other bump:2.07436 Ang V5.CG1 and E47.O other bump:3.07959 Ang F40.CE2 and I44.CD1 other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 2 total=1296 Number of alignments=272 # Reading fragments from alignment file # T0187 read from T0187-1lucA-local-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-local-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREA 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=1297 Number of alignments=273 # Reading fragments from alignment file # T0187 read from T0187-1lucA-local-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-local-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 39 :HLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1lucA 292 :IDYSYEINPVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEE Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.47117 Ang C41.CB and E45.OE1 self-bump: 1.298 Ang C41.CA and C41.CB other bump:2.22918 Ang T37.O and D40.OD2 other bump:2.92701 Ang K28.CB and F30.CD2 other bump:2.96073 Ang L10.CD1 and A21.CB other bump:1.93949 Ang H9.N and E20.OE2 other bump:1.84286 Ang H9.CA and E20.OE2 other bump:2.41307 Ang H9.C and E20.OE2 other bump:1.89754 Ang I8.O and E20.OE2 other bump:1.98233 Ang I8.C and E20.OE2 other bump:1.90386 Ang H9.O and E20.OE1 other bump:2.28379 Ang H9.C and E20.OE1 other bump:2.5524 Ang H9.N and E20.CD other bump:2.64442 Ang H9.CA and E20.CD other bump:2.53034 Ang H9.C and E20.CD other bump:2.6865 Ang I8.C and E20.CD other bump:2.74476 Ang L10.CD1 and V17.C other bump:2.98482 Ang L10.CG and V17.C other bump:2.17498 Ang L10.CD2 and V17.C other bump:1.88617 Ang L10.CD1 and V17.O other bump:2.43305 Ang L10.CG and V17.O other bump:2.19137 Ang L10.CD2 and V17.O other bump:2.73073 Ang L10.CD1 and V17.CG1 other bump:2.89111 Ang L10.CB and V17.CG1 other bump:3.00302 Ang L10.CG and V17.CG1 other bump:3.05984 Ang L10.CD2 and V17.CG1 other bump:2.69706 Ang L10.CD2 and V17.CB other bump:2.79894 Ang L10.CG and V17.CA other bump:1.60145 Ang L10.CD2 and V17.CA other bump:2.6334 Ang L10.CD2 and V17.N other bump:3.0583 Ang L10.CD2 and K16.C other bump:2.87806 Ang V6.CB and I11.CD1 other bump:2.52688 Ang V6.CG1 and I11.CD1 other bump:2.77114 Ang V6.CG2 and I11.CD1 other bump:3.06857 Ang V6.CG1 and I11.CG1 other bump:2.36222 Ang N5.O and H9.ND1 other bump:3.01551 Ang N5.C and H9.ND1 other bump:1.99342 Ang G1.O and N5.OD1 other bump:2.76194 Ang H2.CA and N5.ND2 other bump:3.10754 Ang H2.CA and N5.CG Number of specific fragments= 1 total=1298 Number of alignments=274 # Reading fragments from alignment file # T0187 read from T0187-1lucA-simpleSW-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 84 :GRFIASIMKEVKFKD 1lucA 99 :GRFRFGICRGLYDKD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues neighbor-bump: 2.27527 Ang K10.O and E11.CB neighbor-bump: 2.67242 Ang K10.C and E11.CB Number of specific fragments= 1 total=1299 # Reading fragments from alignment file # T0187 read from T0187-1lucA-simpleSW-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1lucA in template set Number of specific fragments= 0 total=1299 # Reading fragments from alignment file # T0187 read from T0187-1lucA-vit-adpstyle1.pw.a2m.gz # 1lucA read from T0187-1lucA-vit-adpstyle1.pw.a2m.gz # found chain 1lucA in template set T0187 48 :IGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEAREA 1lucA 301 :VGTPEECIAIIQQDIDATGIDNICCGFEANGSEEEI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 38 residues other bump:2.47117 Ang C32.CB and E36.OE1 self-bump: 1.298 Ang C32.CA and C32.CB other bump:2.22918 Ang T28.O and D31.OD2 other bump:2.92701 Ang K19.CB and F21.CD2 Number of specific fragments= 1 total=1300 Number of alignments=275 # Reading fragments from alignment file # T0187 read from T0187-1lucA-vit-adpstyle5.pw.a2m.gz # 1lucA read from T0187-1lucA-vit-adpstyle5.pw.a2m.gz # found chain 1lucA in template set T0187 39 :HLSNVEIHLIGNVQKVCDEAKSLAKEKGFNAEIITTSLDCEARE 1lucA 292 :IDYSYEINPVGTPEECIAIIQQDIDATGIDNICCGFEANGSEEE Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 46 residues other bump:2.47117 Ang C41.CB and E45.OE1 self-bump: 1.298 Ang C41.CA and C41.CB other bump:2.22918 Ang T37.O and D40.OD2 other bump:2.92701 Ang K28.CB and F30.CD2 other bump:2.96073 Ang L10.CD1 and A21.CB other bump:1.93949 Ang H9.N and E20.OE2 other bump:1.84286 Ang H9.CA and E20.OE2 other bump:2.41307 Ang H9.C and E20.OE2 other bump:1.89754 Ang I8.O and E20.OE2 other bump:1.98233 Ang I8.C and E20.OE2 other bump:1.90386 Ang H9.O and E20.OE1 other bump:2.28379 Ang H9.C and E20.OE1 other bump:2.5524 Ang H9.N and E20.CD other bump:2.64442 Ang H9.CA and E20.CD other bump:2.53034 Ang H9.C and E20.CD other bump:2.6865 Ang I8.C and E20.CD other bump:2.74476 Ang L10.CD1 and V17.C other bump:2.98482 Ang L10.CG and V17.C other bump:2.17498 Ang L10.CD2 and V17.C other bump:1.88617 Ang L10.CD1 and V17.O other bump:2.43305 Ang L10.CG and V17.O other bump:2.19137 Ang L10.CD2 and V17.O other bump:2.73073 Ang L10.CD1 and V17.CG1 other bump:2.89111 Ang L10.CB and V17.CG1 other bump:3.00302 Ang L10.CG and V17.CG1 other bump:3.05984 Ang L10.CD2 and V17.CG1 other bump:2.69706 Ang L10.CD2 and V17.CB other bump:2.79894 Ang L10.CG and V17.CA other bump:1.60145 Ang L10.CD2 and V17.CA other bump:2.6334 Ang L10.CD2 and V17.N other bump:3.0583 Ang L10.CD2 and K16.C other bump:2.87806 Ang V6.CB and I11.CD1 other bump:2.52688 Ang V6.CG1 and I11.CD1 other bump:2.77114 Ang V6.CG2 and I11.CD1 other bump:3.06857 Ang V6.CG1 and I11.CG1 other bump:2.36222 Ang N5.O and H9.ND1 other bump:3.01551 Ang N5.C and H9.ND1 other bump:1.99342 Ang G1.O and N5.OD1 other bump:2.76194 Ang H2.CA and N5.ND2 other bump:3.10754 Ang H2.CA and N5.CG Number of specific fragments= 1 total=1301 Number of alignments=276 # Prefix for input files set to 1jztA/ # reading script from file read-alignments.under # Reading fragments from alignment file # T0187 read from 1jztA-T0187-local-adpstyle1.pw.a2m.gz # 1jztA read from 1jztA-T0187-local-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 81 :REAGRFIASIMKEVKF 1jztA 33 :ELAGFSVAQAVCRQFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.79329 Ang E14.O and F17.CE2 other bump:2.87599 Ang F7.CD1 and I11.CD1 other bump:2.50501 Ang F7.CE1 and I11.CD1 T0187 97 :KDRPLKKPAALIFGG 1jztA 52 :KTETEKGKHVFVIAG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.42669 Ang L12.CD2 and F14.CZ other bump:2.84586 Ang L12.CG and F14.CE1 other bump:1.65725 Ang L12.CD2 and F14.CE1 other bump:2.71992 Ang L12.CD2 and F14.CD1 Number of specific fragments= 2 total=1303 Number of alignments=277 # Reading fragments from alignment file # T0187 read from 1jztA-T0187-local-adpstyle5.pw.a2m.gz # 1jztA read from 1jztA-T0187-local-adpstyle5.pw.a2m.gz # found chain 1jztA in template set Number of specific fragments= 0 total=1303 # Reading fragments from alignment file # T0187 read from 1jztA-T0187-vit-adpstyle1.pw.a2m.gz # 1jztA read from 1jztA-T0187-vit-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 81 :REAGRFIASIMKEVKF 1jztA 33 :ELAGFSVAQAVCRQFP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.79329 Ang E14.O and F17.CE2 other bump:2.87599 Ang F7.CD1 and I11.CD1 other bump:2.50501 Ang F7.CE1 and I11.CD1 T0187 97 :KDRPLKKPAALIFGG 1jztA 52 :KTETEKGKHVFVIAG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.42669 Ang L12.CD2 and F14.CZ other bump:2.84586 Ang L12.CG and F14.CE1 other bump:1.65725 Ang L12.CD2 and F14.CE1 other bump:2.71992 Ang L12.CD2 and F14.CD1 Number of specific fragments= 2 total=1305 Number of alignments=278 # Reading fragments from alignment file # T0187 read from 1jztA-T0187-vit-adpstyle5.pw.a2m.gz # 1jztA read from 1jztA-T0187-vit-adpstyle5.pw.a2m.gz # found chain 1jztA in template set Number of specific fragments= 0 total=1305 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHSTL-global-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCDE 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGGD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.77035 Ang K21.CG and E25.OE2 other bump:2.28537 Ang K21.C and E25.OE1 other bump:1.47369 Ang K21.O and E25.OE1 other bump:2.56395 Ang V22.CA and E25.OE1 other bump:3.12653 Ang K21.C and E25.CD other bump:2.27375 Ang K21.O and E25.CD other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 139 :GIEGVIL 1jztA 239 :STDQILK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:0.784324 Ang G1.O and E4.OE1 other bump:1.71956 Ang G1.C and E4.OE1 other bump:2.02648 Ang G1.O and E4.CD other bump:2.81499 Ang G1.C and E4.CD Number of specific fragments= 5 total=1310 Number of alignments=279 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHSTL-global-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 112 :ETVVHVKGN 1jztA 212 :QTTHYVGGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues T0187 127 :QEL 1jztA 224 :RDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 135 :IALEGIE 1jztA 227 :ANKFGFE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.63494 Ang I2.CD1 and G9.CA other bump:3.23047 Ang I2.CG2 and E8.C other bump:2.61352 Ang I2.CG2 and I7.C other bump:2.23475 Ang I2.CG2 and I7.O other bump:2.61177 Ang I2.CG2 and I7.CG1 T0187 142 :GVIL 1jztA 242 :QILK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 8 total=1318 Number of alignments=280 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHSTL-local-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 42 :NVEIHLIGNVQKVCDE 1jztA 58 :GKHVFVIAGPGNNGGD Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.77035 Ang K13.CG and E17.OE2 other bump:1.47369 Ang K13.O and E17.OE1 other bump:2.28537 Ang K13.C and E17.OE1 other bump:2.56395 Ang V14.CA and E17.OE1 other bump:2.27375 Ang K13.O and E17.CD other bump:3.12653 Ang K13.C and E17.CD other bump:1.42934 Ang N10.CA and C15.SG other bump:2.14856 Ang N10.CB and C15.SG other bump:1.74724 Ang N10.C and C15.SG other bump:1.82776 Ang N10.O and C15.SG other bump:2.24467 Ang N10.CG and C15.SG other bump:1.91861 Ang N10.OD1 and C15.SG other bump:2.27656 Ang G9.C and C15.SG other bump:1.20578 Ang N10.N and C15.SG other bump:3.17933 Ang N10.CA and C15.CB other bump:2.75723 Ang N10.C and C15.CB other bump:1.93426 Ang N10.O and C15.CB other bump:2.07229 Ang N10.OD1 and C15.CB other bump:2.7111 Ang N10.N and C15.CB other bump:2.28853 Ang N10.OD1 and C15.CA other bump:2.75316 Ang N10.CG and C15.N other bump:1.82351 Ang N10.OD1 and C15.N other bump:3.04001 Ang N10.ND2 and V14.CG1 other bump:2.45666 Ang N10.ND2 and V14.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 102 :KKPAALIF 1jztA 190 :INPAVLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.84707 Ang L7.CD2 and F9.CZ other bump:2.47701 Ang L7.CD2 and F9.CE1 Number of specific fragments= 4 total=1322 Number of alignments=281 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHSTL-local-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 13 :ALKVLEKYGI 1jztA 40 :AQAVCRQFPL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O Number of specific fragments= 4 total=1326 Number of alignments=282 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHTL-global-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCDE 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGGD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.77035 Ang K21.CG and E25.OE2 other bump:2.28537 Ang K21.C and E25.OE1 other bump:1.47369 Ang K21.O and E25.OE1 other bump:2.56395 Ang V22.CA and E25.OE1 other bump:3.12653 Ang K21.C and E25.CD other bump:2.27375 Ang K21.O and E25.CD other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 139 :GIEGVIL 1jztA 239 :STDQILK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:0.784324 Ang G1.O and E4.OE1 other bump:1.71956 Ang G1.C and E4.OE1 other bump:2.02648 Ang G1.O and E4.CD other bump:2.81499 Ang G1.C and E4.CD Number of specific fragments= 5 total=1331 Number of alignments=283 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHTL-global-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLDC 1jztA 76 :VCARHLKLFGYNPVVFYPKRSE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 83 :AGRFIASIMKEVKFKDRPL 1jztA 98 :RTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.40811 Ang V13.CG1 and L20.CD1 other bump:2.48373 Ang R18.O and L20.CD1 other bump:2.73713 Ang V13.CG1 and R18.O T0187 111 :GETVVHVKGN 1jztA 211 :NQTTHYVGGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 126 :NQELALSAAIALEGIE 1jztA 223 :PRDFANKFGFEPFGYE Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:3.01948 Ang A6.CB and L13.CD2 other bump:2.50904 Ang N2.O and L13.CD2 other bump:2.91434 Ang N2.C and L13.CD2 other bump:2.54883 Ang Q3.N and L13.CD1 other bump:3.02215 Ang Q3.CA and L13.CD1 other bump:3.17874 Ang Q3.CA and L13.CG neighbor-bump: 2.0337 Ang A9.O and A10.CB neighbor-bump: 2.37974 Ang A9.C and A10.CB T0187 142 :GVIL 1jztA 242 :QILK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 7 total=1338 Number of alignments=284 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 13 :ALKVLEKYGIETSESVKRAIL 1jztA 28 :LQQLMELAGFSVAQAVCRQFP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues neighbor-bump: 3.05972 Ang A20.C and I21.CG1 T0187 34 :QETPKHLSNVEIHLIGNVQKVCDE 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGGD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.77035 Ang K21.CG and E25.OE2 other bump:2.28537 Ang K21.C and E25.OE1 other bump:1.47369 Ang K21.O and E25.OE1 other bump:2.56395 Ang V22.CA and E25.OE1 other bump:3.12653 Ang K21.C and E25.CD other bump:2.27375 Ang K21.O and E25.CD other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 102 :KKPAALIF 1jztA 190 :INPAVLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.84707 Ang L7.CD2 and F9.CZ other bump:2.47701 Ang L7.CD2 and F9.CE1 Number of specific fragments= 5 total=1343 Number of alignments=285 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-EBGHTL-local-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 18 :EKYGIETSESVKRAIL 1jztA 33 :ELAGFSVAQAVCRQFP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues neighbor-bump: 3.05972 Ang A15.C and I16.CG1 T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLDC 1jztA 76 :VCARHLKLFGYNPVVFYPKRSE Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 83 :AGRFIASIMKEVKFKDRPL 1jztA 98 :RTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.40811 Ang V13.CG1 and L20.CD1 other bump:2.48373 Ang R18.O and L20.CD1 other bump:2.73713 Ang V13.CG1 and R18.O Number of specific fragments= 4 total=1347 Number of alignments=286 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-global-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCDE 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGGD Fragment has 25 clashes (null) has 25 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 26 residues other bump:2.77035 Ang K21.CG and E25.OE2 other bump:2.28537 Ang K21.C and E25.OE1 other bump:1.47369 Ang K21.O and E25.OE1 other bump:2.56395 Ang V22.CA and E25.OE1 other bump:3.12653 Ang K21.C and E25.CD other bump:2.27375 Ang K21.O and E25.CD other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O Number of specific fragments= 4 total=1351 Number of alignments=287 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-global-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PDSSTSEDALKVLEKYGIETSESVKRAIL 1jztA 5 :KVVSSKLAAEIDKELMGPQIGFTLQQLME Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 31 residues other bump:2.54697 Ang V25.CG1 and I29.CD1 other bump:2.29431 Ang Y17.OH and A28.CB other bump:1.87079 Ang T21.CG2 and E23.OE2 other bump:1.54238 Ang K16.O and E23.OE1 other bump:2.47275 Ang K16.C and E23.OE1 other bump:2.18639 Ang T21.CG2 and E23.OE1 other bump:2.24278 Ang T21.CG2 and E23.CD other bump:2.27155 Ang K12.CE and K16.NZ other bump:1.14427 Ang K12.NZ and K16.NZ other bump:2.19693 Ang K12.NZ and K16.CE T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 104 :PAALIFG 1jztA 213 :TTHYVGG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues T0187 125 :R 1jztA 220 :R Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 126 :NQEL 1jztA 223 :PRDF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues T0187 135 :IALEGIEGV 1jztA 227 :ANKFGFEPF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63494 Ang I2.CD1 and G9.CA other bump:3.23047 Ang I2.CG2 and E8.C other bump:2.61352 Ang I2.CG2 and I7.C other bump:2.23475 Ang I2.CG2 and I7.O other bump:2.61177 Ang I2.CG2 and I7.CG1 Number of specific fragments= 8 total=1359 Number of alignments=288 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-global-heavy-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PD 1jztA 5 :KV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 8 :STSEDALKVLEKYGIE 1jztA 7 :VSSKLAAEIDKELMGP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.3853 Ang K13.O and I16.CG2 other bump:2.76472 Ang V10.CG2 and Y14.OH other bump:2.49795 Ang V10.CG2 and Y14.CZ other bump:2.95526 Ang V10.CB and Y14.CE1 other bump:1.59078 Ang V10.CG2 and Y14.CE1 other bump:3.07712 Ang V10.C and Y14.CE1 other bump:2.67618 Ang V10.CG2 and Y14.CD1 other bump:2.34185 Ang V10.O and Y14.CD1 T0187 24 :TSESVKRAIL 1jztA 26 :FTLQQLMELA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.49959 Ang T2.OG1 and K7.CE T0187 34 :QETPKHLS 1jztA 46 :QFPLRGKT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues self-bump: 1.38062 Ang H7.CA and H7.CB neighbor-bump: 2.13054 Ang T4.C and P5.CD self-bump: 1.36361 Ang P5.N and P5.CD self-bump: 2.21677 Ang P5.N and P5.CG T0187 42 :NVEIHLIGNV 1jztA 58 :GKHVFVIAGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLD 1jztA 71 :GGDGLVCARHLKLFGYNPVVFYPKRS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues other bump:3.03065 Ang Q2.NE2 and T23.CG2 other bump:1.58565 Ang K9.CD and I21.CG2 other bump:2.31066 Ang K9.CE and I21.CG2 other bump:2.68 Ang K9.NZ and I21.CG2 other bump:2.77315 Ang K9.CG and I21.CG2 other bump:2.93604 Ang K9.NZ and I21.CG1 other bump:2.53471 Ang K9.CD and I21.CB other bump:2.43149 Ang K9.CE and I21.CB other bump:1.93098 Ang K9.NZ and I21.CB other bump:2.88278 Ang K9.NZ and I21.CA T0187 85 :RFIASIMKEVKFKDRP 1jztA 100 :EFYKQLVHQLNFFKVP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.73713 Ang V11.CG1 and R16.O T0187 101 :LKK 1jztA 118 :SQD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.35136 Ang K4.CA and K4.CB T0187 104 :PAALIF 1jztA 134 :LCIVDA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues other bump:2.37054 Ang L5.CG and F7.CZ other bump:2.13753 Ang L5.CD2 and F7.CZ other bump:2.44309 Ang L5.CD1 and F7.CZ other bump:2.84937 Ang L5.CB and F7.CE2 other bump:1.48515 Ang L5.CG and F7.CE2 other bump:1.35585 Ang L5.CD2 and F7.CE2 other bump:2.40099 Ang L5.CD1 and F7.CE2 other bump:2.31843 Ang L5.CG and F7.CD2 self-bump: 1.39569 Ang P2.CA and P2.CB T0187 119 :GNGIGGRN 1jztA 140 :IFGFSFKP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues neighbor-bump: 3.17993 Ang N9.CB and G10.CA T0187 127 :QELALSAAIALEGIEGV 1jztA 153 :FKGIVEELCKVQNIIPI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 19 residues T0187 144 :ILCSAGT 1jztA 194 :VLVSLTV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues self-bump: 2.21014 Ang T8.CB and T8.C self-bump: 2.38617 Ang T8.CG2 and T8.C self-bump: 1.25667 Ang T8.CA and T8.CB Number of specific fragments= 12 total=1371 Number of alignments=289 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-global-heavy-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 5 :PD 1jztA 5 :KV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 8 :STSEDALKVLEKYGIE 1jztA 7 :VSSKLAAEIDKELMGP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.3853 Ang K13.O and I16.CG2 other bump:2.76472 Ang V10.CG2 and Y14.OH other bump:2.49795 Ang V10.CG2 and Y14.CZ other bump:2.95526 Ang V10.CB and Y14.CE1 other bump:1.59078 Ang V10.CG2 and Y14.CE1 other bump:3.07712 Ang V10.C and Y14.CE1 other bump:2.67618 Ang V10.CG2 and Y14.CD1 other bump:2.34185 Ang V10.O and Y14.CD1 T0187 24 :TSESVKRAIL 1jztA 26 :FTLQQLMELA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues other bump:2.49959 Ang T2.OG1 and K7.CE T0187 35 :ETPKHLS 1jztA 47 :FPLRGKT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues self-bump: 1.38062 Ang H6.CA and H6.CB neighbor-bump: 2.13054 Ang T3.C and P4.CD self-bump: 1.36361 Ang P4.N and P4.CD self-bump: 2.21677 Ang P4.N and P4.CG T0187 42 :NVEIHLIGNV 1jztA 58 :GKHVFVIAGP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 52 :QKVCDEAKSLAKEKGFNAEIITTSLDC 1jztA 71 :GGDGLVCARHLKLFGYNPVVFYPKRSE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 29 residues other bump:3.03065 Ang Q2.NE2 and T23.CG2 other bump:1.58565 Ang K9.CD and I21.CG2 other bump:2.31066 Ang K9.CE and I21.CG2 other bump:2.68 Ang K9.NZ and I21.CG2 other bump:2.77315 Ang K9.CG and I21.CG2 other bump:2.93604 Ang K9.NZ and I21.CG1 other bump:2.53471 Ang K9.CD and I21.CB other bump:2.43149 Ang K9.CE and I21.CB other bump:1.93098 Ang K9.NZ and I21.CB other bump:2.88278 Ang K9.NZ and I21.CA T0187 85 :RFIASIMKEVKFKDRP 1jztA 100 :EFYKQLVHQLNFFKVP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.73713 Ang V11.CG1 and R16.O T0187 101 :LKK 1jztA 118 :SQD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues self-bump: 1.35136 Ang K4.CA and K4.CB T0187 104 :PAALIFG 1jztA 134 :LCIVDAI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 9 residues other bump:2.13754 Ang L5.CD2 and F7.CZ other bump:2.4431 Ang L5.CD1 and F7.CZ other bump:2.37055 Ang L5.CG and F7.CZ other bump:1.35585 Ang L5.CD2 and F7.CE2 other bump:2.401 Ang L5.CD1 and F7.CE2 other bump:2.84938 Ang L5.CB and F7.CE2 other bump:1.48516 Ang L5.CG and F7.CE2 other bump:2.31843 Ang L5.CG and F7.CD2 self-bump: 1.39569 Ang P2.CA and P2.CB T0187 119 :GNGIGGRNQELALSAAIALEGIEGVI 1jztA 145 :FKPPMREPFKGIVEELCKVQNIIPIV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 28 residues neighbor-bump: 2.61405 Ang R8.CG and N9.OD1 neighbor-bump: 2.45712 Ang R8.CD and N9.OD1 neighbor-bump: 2.02936 Ang R8.NE and N9.OD1 neighbor-bump: 3.09367 Ang R8.CG and N9.CA T0187 145 :LCSAG 1jztA 195 :LVSLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 11 total=1382 Number of alignments=290 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-local-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 42 :NVEIHLIGNVQKVCDE 1jztA 58 :GKHVFVIAGPGNNGGD Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.77035 Ang K13.CG and E17.OE2 other bump:1.47369 Ang K13.O and E17.OE1 other bump:2.28537 Ang K13.C and E17.OE1 other bump:2.56395 Ang V14.CA and E17.OE1 other bump:2.27375 Ang K13.O and E17.CD other bump:3.12653 Ang K13.C and E17.CD other bump:1.42934 Ang N10.CA and C15.SG other bump:2.14856 Ang N10.CB and C15.SG other bump:1.74724 Ang N10.C and C15.SG other bump:1.82776 Ang N10.O and C15.SG other bump:2.24467 Ang N10.CG and C15.SG other bump:1.91861 Ang N10.OD1 and C15.SG other bump:2.27656 Ang G9.C and C15.SG other bump:1.20578 Ang N10.N and C15.SG other bump:3.17933 Ang N10.CA and C15.CB other bump:2.75723 Ang N10.C and C15.CB other bump:1.93426 Ang N10.O and C15.CB other bump:2.07229 Ang N10.OD1 and C15.CB other bump:2.7111 Ang N10.N and C15.CB other bump:2.28853 Ang N10.OD1 and C15.CA other bump:2.75316 Ang N10.CG and C15.N other bump:1.82351 Ang N10.OD1 and C15.N other bump:3.04001 Ang N10.ND2 and V14.CG1 other bump:2.45666 Ang N10.ND2 and V14.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 102 :KKPAALIF 1jztA 190 :INPAVLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.84707 Ang L7.CD2 and F9.CZ other bump:2.47701 Ang L7.CD2 and F9.CE1 Number of specific fragments= 4 total=1386 Number of alignments=291 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-local-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 12 :DALKVLEKYG 1jztA 39 :VAQAVCRQFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O Number of specific fragments= 4 total=1390 Number of alignments=292 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-local-heavy-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 42 :NVEIHLIGNVQKVCDE 1jztA 58 :GKHVFVIAGPGNNGGD Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 18 residues other bump:2.77035 Ang K13.CG and E17.OE2 other bump:1.47369 Ang K13.O and E17.OE1 other bump:2.28537 Ang K13.C and E17.OE1 other bump:2.56395 Ang V14.CA and E17.OE1 other bump:2.27375 Ang K13.O and E17.CD other bump:3.12653 Ang K13.C and E17.CD other bump:1.42934 Ang N10.CA and C15.SG other bump:2.14856 Ang N10.CB and C15.SG other bump:1.74724 Ang N10.C and C15.SG other bump:1.82776 Ang N10.O and C15.SG other bump:2.24467 Ang N10.CG and C15.SG other bump:1.91861 Ang N10.OD1 and C15.SG other bump:2.27656 Ang G9.C and C15.SG other bump:1.20578 Ang N10.N and C15.SG other bump:3.17933 Ang N10.CA and C15.CB other bump:2.75723 Ang N10.C and C15.CB other bump:1.93426 Ang N10.O and C15.CB other bump:2.07229 Ang N10.OD1 and C15.CB other bump:2.7111 Ang N10.N and C15.CB other bump:2.28853 Ang N10.OD1 and C15.CA other bump:2.75316 Ang N10.CG and C15.N other bump:1.82351 Ang N10.OD1 and C15.N other bump:3.04001 Ang N10.ND2 and V14.CG1 other bump:2.45666 Ang N10.ND2 and V14.CB T0187 58 :AKSLAKEKGFNAEIITTSLD 1jztA 77 :CARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O T0187 102 :KKPAALIF 1jztA 190 :INPAVLVS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:2.84707 Ang L7.CD2 and F9.CZ other bump:2.47701 Ang L7.CD2 and F9.CE1 Number of specific fragments= 4 total=1394 Number of alignments=293 # Reading fragments from alignment file # T0187 read from T0187-1jztA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-2track-protein-STR-local-heavy-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 12 :DALKVLEKYG 1jztA 39 :VAQAVCRQFP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 12 residues T0187 34 :QETPKHLSNVEIHLIGNVQKVCD 1jztA 50 :RGKTETEKGKHVFVIAGPGNNGG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 25 residues other bump:1.74724 Ang N18.C and C23.SG other bump:1.42934 Ang N18.CA and C23.SG other bump:2.14856 Ang N18.CB and C23.SG other bump:1.82776 Ang N18.O and C23.SG other bump:2.24467 Ang N18.CG and C23.SG other bump:1.91861 Ang N18.OD1 and C23.SG other bump:2.27656 Ang G17.C and C23.SG other bump:1.20578 Ang N18.N and C23.SG other bump:2.75723 Ang N18.C and C23.CB other bump:3.17933 Ang N18.CA and C23.CB other bump:1.93426 Ang N18.O and C23.CB other bump:2.07229 Ang N18.OD1 and C23.CB other bump:2.7111 Ang N18.N and C23.CB other bump:2.28853 Ang N18.OD1 and C23.CA other bump:2.75316 Ang N18.CG and C23.N other bump:1.82351 Ang N18.OD1 and C23.N other bump:3.04001 Ang N18.ND2 and V22.CG1 other bump:2.45666 Ang N18.ND2 and V22.CB other bump:3.1202 Ang P5.CD and L8.CB T0187 57 :EAKSLAKEKGFNAEIITTSLD 1jztA 76 :VCARHLKLFGYNPVVFYPKRS Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.68 Ang K4.NZ and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 82 :EAGRFIASIMKEVKFKDRPL 1jztA 97 :ERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 22 residues other bump:2.40811 Ang V14.CG1 and L21.CD1 other bump:2.48373 Ang R19.O and L21.CD1 other bump:2.73713 Ang V14.CG1 and R19.O Number of specific fragments= 4 total=1398 Number of alignments=294 # Reading fragments from alignment file # T0187 read from T0187-1jztA-local-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-local-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 58 :AKSLAKEKGFNAEII 1jztA 77 :CARHLKLFGYNPVVF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA Number of specific fragments= 1 total=1399 # Reading fragments from alignment file # T0187 read from T0187-1jztA-local-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-local-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 36 :TPKHLSNVEIHLIGNVQKVCD 1jztA 52 :KTETEKGKHVFVIAGPGNNGG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.74724 Ang N16.C and C21.SG other bump:1.42934 Ang N16.CA and C21.SG other bump:2.14856 Ang N16.CB and C21.SG other bump:1.82776 Ang N16.O and C21.SG other bump:2.24467 Ang N16.CG and C21.SG other bump:1.91861 Ang N16.OD1 and C21.SG other bump:2.27656 Ang G15.C and C21.SG other bump:1.20578 Ang N16.N and C21.SG other bump:2.75723 Ang N16.C and C21.CB other bump:3.17933 Ang N16.CA and C21.CB other bump:1.93426 Ang N16.O and C21.CB other bump:2.07229 Ang N16.OD1 and C21.CB other bump:2.7111 Ang N16.N and C21.CB other bump:2.28853 Ang N16.OD1 and C21.CA other bump:2.75316 Ang N16.CG and C21.N other bump:1.82351 Ang N16.OD1 and C21.N other bump:3.04001 Ang N16.ND2 and V20.CG1 other bump:2.45666 Ang N16.ND2 and V20.CB other bump:2.60328 Ang T2.CG2 and L6.CD1 other bump:2.70675 Ang T2.CG2 and L6.CB other bump:3.19485 Ang P3.CD and L6.CB T0187 57 :EAKSLAKEKGFNAEIITTS 1jztA 76 :VCARHLKLFGYNPVVFYPK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.68 Ang K4.NZ and I16.CG2 other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 80 :AREAGRFIASIMKEVKFKDRPL 1jztA 95 :RSERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.40811 Ang V16.CG1 and L23.CD1 other bump:2.48373 Ang R21.O and L23.CD1 other bump:2.73713 Ang V16.CG1 and R21.O Number of specific fragments= 3 total=1402 Number of alignments=295 # Reading fragments from alignment file # T0187 read from T0187-1jztA-simpleSW-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-simpleSW-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 17 :LEKYGIETSESV 1jztA 232 :FEPFGYESTDQI Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 14 residues other bump:2.45483 Ang I7.CG2 and E11.O other bump:2.70738 Ang E8.CA and E11.OE1 other bump:0.784329 Ang E8.O and E11.OE1 other bump:1.71957 Ang E8.C and E11.OE1 other bump:2.02648 Ang E8.O and E11.CD other bump:2.81499 Ang E8.C and E11.CD neighbor-bump: 2.55453 Ang T9.CG2 and S10.N self-bump: 1.28519 Ang T9.CA and T9.CB Number of specific fragments= 1 total=1403 # Reading fragments from alignment file # T0187 read from T0187-1jztA-simpleSW-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-simpleSW-adpstyle5.pw.a2m.gz # found chain 1jztA in template set Number of specific fragments= 0 total=1403 # Reading fragments from alignment file # T0187 read from T0187-1jztA-vit-adpstyle1.pw.a2m.gz # 1jztA read from T0187-1jztA-vit-adpstyle1.pw.a2m.gz # found chain 1jztA in template set T0187 58 :AKSLAKEKGFNAEII 1jztA 77 :CARHLKLFGYNPVVF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 17 residues other bump:2.68 Ang K3.NZ and I15.CG2 other bump:2.77315 Ang K3.CG and I15.CG2 other bump:1.58565 Ang K3.CD and I15.CG2 other bump:2.31066 Ang K3.CE and I15.CG2 other bump:2.93604 Ang K3.NZ and I15.CG1 other bump:1.93098 Ang K3.NZ and I15.CB other bump:2.53471 Ang K3.CD and I15.CB other bump:2.43149 Ang K3.CE and I15.CB other bump:2.88278 Ang K3.NZ and I15.CA Number of specific fragments= 1 total=1404 # Reading fragments from alignment file # T0187 read from T0187-1jztA-vit-adpstyle5.pw.a2m.gz # 1jztA read from T0187-1jztA-vit-adpstyle5.pw.a2m.gz # found chain 1jztA in template set T0187 36 :TPKHLSNVEIHLIGNVQKVCD 1jztA 52 :KTETEKGKHVFVIAGPGNNGG Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 23 residues other bump:1.74724 Ang N16.C and C21.SG other bump:1.42934 Ang N16.CA and C21.SG other bump:2.14856 Ang N16.CB and C21.SG other bump:1.82776 Ang N16.O and C21.SG other bump:2.24467 Ang N16.CG and C21.SG other bump:1.91861 Ang N16.OD1 and C21.SG other bump:2.27656 Ang G15.C and C21.SG other bump:1.20578 Ang N16.N and C21.SG other bump:2.75723 Ang N16.C and C21.CB other bump:3.17933 Ang N16.CA and C21.CB other bump:1.93426 Ang N16.O and C21.CB other bump:2.07229 Ang N16.OD1 and C21.CB other bump:2.7111 Ang N16.N and C21.CB other bump:2.28853 Ang N16.OD1 and C21.CA other bump:2.75316 Ang N16.CG and C21.N other bump:1.82351 Ang N16.OD1 and C21.N other bump:3.04001 Ang N16.ND2 and V20.CG1 other bump:2.45666 Ang N16.ND2 and V20.CB other bump:2.60328 Ang T2.CG2 and L6.CD1 other bump:2.70675 Ang T2.CG2 and L6.CB other bump:3.19485 Ang P3.CD and L6.CB T0187 57 :EAKSLAKEKGFNAEIITTS 1jztA 76 :VCARHLKLFGYNPVVFYPK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 21 residues other bump:2.68 Ang K4.NZ and I16.CG2 other bump:1.58565 Ang K4.CD and I16.CG2 other bump:2.31066 Ang K4.CE and I16.CG2 other bump:2.77315 Ang K4.CG and I16.CG2 other bump:2.93604 Ang K4.NZ and I16.CG1 other bump:1.93098 Ang K4.NZ and I16.CB other bump:2.53471 Ang K4.CD and I16.CB other bump:2.43149 Ang K4.CE and I16.CB other bump:2.88278 Ang K4.NZ and I16.CA T0187 80 :AREAGRFIASIMKEVKFKDRPL 1jztA 95 :RSERTEFYKQLVHQLNFFKVPV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 24 residues other bump:2.40811 Ang V16.CG1 and L23.CD1 other bump:2.48373 Ang R21.O and L23.CD1 other bump:2.73713 Ang V16.CG1 and R21.O Number of specific fragments= 3 total=1407 Number of alignments=296 # Prefix for input files set to # command:# Prefix for input files set to # command:CPU_time= 69880 msec, elapsed time= 74338.9 msec) # command:# Will now start reporting costs to decoys/undertaker-try1.rdb # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.4*length and merging fragments shorter than 5 # Each alignment is added to initial conformation # best score in alignment pool out of 297: T0187.rand+1fukA-T0187-local-adpstyle5.pw.a2m.gz:1fukA at pool[120] 90.123 cost/residue, 568 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.4*length and merging fragments shorter than 5 # Each alignment is added to result of previous insertion # best score in alignment pool out of 297: T0187.rand+1fukA-T0187-local-a...+T0187-1fukA-2track-protein-EBGHTL-local-adpstyle1.pw.a2m.gz:1fukA at pool[219] 89.5116 cost/residue, 325 clashes 0.139502 breaks # command:# naming current conformation T0187.try1-al2 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 297: T0187.try1-al2+1i58A-T0187-vit-adpstyle1.pw.a2m.gz:1i58A at pool[47] 86.9814 cost/residue, 224 clashes 0.280156 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to result of previous insertion # best score in alignment pool out of 297: T0187.try1-al2+1i58A-T0187-vit-adpstyle1.pw.a2m.gz:1i58A 86.9814 cost/residue, 224 clashes 0.280156 breaks # command:# naming current conformation T0187.try1-al4 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.3*length and merging fragments shorter than 4 # Each alignment is added to initial conformation # best score in alignment pool out of 297: T0187.try1-al4+1i58A-T0187-local-adpstyle1.pw.a2m.gz:1i58A at pool[131] 86.3276 cost/residue, 224 clashes 0.261379 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.3*length and merging fragments shorter than 4 # Each alignment is added to result of previous insertion # best score in alignment pool out of 297: T0187.try1-al4+1i58A-T0187-local-adpstyle1.pw.a2m.gz:1i58A 86.3276 cost/residue, 224 clashes 0.261379 breaks # command:# naming current conformation T0187.try1-al6 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.1*length and merging fragments shorter than 2 # Each alignment is added to initial conformation # best score in alignment pool out of 297: T0187.try1-al6+1akr-T0187-vit-adpstyle1.pw.a2m.gz:1akr at pool[232] 85.4151 cost/residue, 280 clashes 0.113716 breaks # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.1*length and merging fragments shorter than 2 # Each alignment is added to result of previous insertion # best score in alignment pool out of 297: T0187.try1-al6+1akr-T0187-vit-adpstyle1.pw.a2m.gz:1akr 85.4151 cost/residue, 280 clashes 0.113716 breaks # command:# naming current conformation T0187.try1-al8 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.2*length and merging fragments shorter than 3 # Each alignment is added to initial conformation # best score in alignment pool out of 297: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA at pool[208] 83.3594 cost/residue, 373 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0.2*length and merging fragments shorter than 3 # Each alignment is added to result of previous insertion # best score in alignment pool out of 297: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA 83.3594 cost/residue, 373 clashes # command:# naming current conformation T0187.try1-al10 # command:# command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to initial conformation # best score in alignment pool out of 297: T0187.try1-al10 83.3594 cost/residue, 373 clashes # command: # TryAllAlign to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will try all 296 alignments, # shrinking each end by up to 0*length and merging fragments shorter than 1 # Each alignment is added to result of previous insertion # best score in alignment pool out of 297: T0187.try1-al10 83.3594 cost/residue, 373 clashes # command:# naming current conformation T0187.try1-al12 # command:# command:# CostConform T0187.try1-al12 costs 83.3594 T0187.try1-al10 costs 83.3594 T0187.try1-al10 costs 83.3594 T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA costs 83.3594 T0187.try1-al8 costs 85.4151 T0187.try1-al6+1akr-T0187-vit-adpstyle1.pw.a2m.gz:1akr costs 85.4151 T0187.try1-al6 costs 86.3276 T0187.try1-al4+1i58A-T0187-local-adpstyle1.pw.a2m.gz:1i58A costs 86.3276 T0187.try1-al4 costs 86.9814 T0187.try1-al2+1i58A-T0187-vit-adpstyle1.pw.a2m.gz:1i58A costs 86.9814 T0187.try1-al2 costs 89.5116 T0187.rand+1fukA-T0187-local-adpstyle5.pw.a2m.gz:1fukA costs 90.123 T0187.rand costs 100.926 # command:CPU_time= 373110 msec, elapsed time= 377953 msec) # command:# Prefix for input files set to # command:# Reading fragments from alignment file # T0187 read from T0187.t2k.frag # 1b47A.1.0 read from T0187.t2k.frag # adding 1b47A to template set 1b47A:# found chain 1b47A in template set T0187 1 :GPAWPDSST 1b47A 47 :PPGTVDKKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1408 # 2cblA.1.0 read from T0187.t2k.frag # adding 2cblA to template set 2cblA:# found chain 2cblA in template set T0187 1 :GPAWPDSST 2cblA 47 :PPGTVDKKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1409 # 1b47A.1.1 read from T0187.t2k.frag # found chain 1b47A in template set T0187 1 :GPAWPDSST 1b47A 48 :PGTVDKKMV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:3.26547 Ang W4.CE3 and S8.OG Number of specific fragments= 1 total=1410 # 2cblA.1.1 read from T0187.t2k.frag # found chain 2cblA in template set T0187 1 :GPAWPDSST 2cblA 48 :PGTVDKKMV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues other bump:1.83768 Ang W4.CZ2 and T9.CG2 other bump:3.07995 Ang W4.CH2 and T9.CG2 other bump:1.88984 Ang W4.CE2 and T9.CG2 other bump:1.9517 Ang W4.NE1 and T9.CG2 other bump:3.08644 Ang W4.CZ2 and T9.CB other bump:2.3977 Ang W4.CD1 and S8.OG Number of specific fragments= 1 total=1411 # 1bp3A.1.0 read from T0187.t2k.frag # adding 1bp3A to template set 1bp3A:# found chain 1bp3A in template set T0187 1 :GPAWPDSST 1bp3A 1 :FPTIPLSRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1412 # 1huw.1.0 read from T0187.t2k.frag # adding 1huw to template set 1huw:Skipped atom 238, because occupancy 0.5 <= existing 0.500001 Skipped atom 240, because occupancy 0.5 <= existing 0.500001 Skipped atom 242, because occupancy 0.5 <= existing 0.500001 Skipped atom 244, because occupancy 0.5 <= existing 0.500001 Skipped atom 246, because occupancy 0.5 <= existing 0.500001 Skipped atom 331, because occupancy 0.5 <= existing 0.500001 Skipped atom 333, because occupancy 0.5 <= existing 0.500001 Skipped atom 335, because occupancy 0.5 <= existing 0.500001 Skipped atom 337, because occupancy 0.5 <= existing 0.500001 Skipped atom 339, because occupancy 0.5 <= existing 0.500001 Skipped atom 962, because occupancy 0.5 <= existing 0.500001 Skipped atom 964, because occupancy 0.5 <= existing 0.500001 Skipped atom 966, because occupancy 0.5 <= existing 0.500001 Skipped atom 968, because occupancy 0.5 <= existing 0.500001 # found chain 1huw in template set T0187 1 :GPAWPDSST 1huw 1 :FPTIPLSRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1413 # 1b47A.2.2 read from T0187.t2k.frag # found chain 1b47A in template set T0187 2 :PAWPDSSTS 1b47A 49 :GTVDKKMVE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.26547 Ang W4.CE3 and S8.OG Number of specific fragments= 1 total=1414 # 2cblA.2.2 read from T0187.t2k.frag # found chain 2cblA in template set T0187 2 :PAWPDSSTS 2cblA 49 :GTVDKKMVE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07995 Ang W4.CH2 and T9.CG2 other bump:1.83768 Ang W4.CZ2 and T9.CG2 other bump:1.88986 Ang W4.CE2 and T9.CG2 other bump:1.95172 Ang W4.NE1 and T9.CG2 other bump:3.08645 Ang W4.CZ2 and T9.CB other bump:2.3977 Ang W4.CD1 and S8.OG Number of specific fragments= 1 total=1415 # 1ga3A.2.2 read from T0187.t2k.frag # adding 1ga3A to template set 1ga3A:# found chain 1ga3A in template set T0187 2 :PAWPDSSTS 1ga3A 3 :PVPPSTALR Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84765 Ang W4.CZ3 and T9.OG1 other bump:2.60687 Ang W4.CH2 and T9.OG1 other bump:2.92688 Ang W4.CE2 and D6.OD1 other bump:2.60449 Ang W4.CZ2 and D6.OD1 other bump:3.31508 Ang W4.CZ3 and D6.OD1 other bump:2.817 Ang W4.CH2 and D6.OD1 neighbor-bump: 2.88233 Ang W4.CE3 and P5.C neighbor-bump: 3.20084 Ang W4.CZ3 and P5.C neighbor-bump: 2.19705 Ang W4.CE3 and P5.O neighbor-bump: 2.33123 Ang W4.CZ3 and P5.O Number of specific fragments= 1 total=1416 # 1b47A.2.1 read from T0187.t2k.frag # found chain 1b47A in template set T0187 2 :PAWPDSSTS 1b47A 48 :PGTVDKKMV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1417 # 2cblA.2.1 read from T0187.t2k.frag # found chain 2cblA in template set T0187 2 :PAWPDSSTS 2cblA 48 :PGTVDKKMV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1418 # 1ap7.2.2 read from T0187.t2k.frag # adding 1ap7 to template set 1ap7:# found chain 1ap7 in template set T0187 2 :PAWPDSSTS 1ap7 3 :MLLEEVCVG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36926 Ang S10.CA and S10.CB other bump:3.23081 Ang S7.C and S10.N neighbor-bump: 2.27776 Ang G1.O and P2.CD neighbor-bump: 1.63854 Ang G1.C and P2.CD Number of specific fragments= 1 total=1419 # 1b47A.3.3 read from T0187.t2k.frag # found chain 1b47A in template set T0187 3 :AWPDSSTSE 1b47A 50 :TVDKKMVEK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.26547 Ang W3.CE3 and S7.OG Number of specific fragments= 1 total=1420 # 2cblA.3.3 read from T0187.t2k.frag # found chain 2cblA in template set T0187 3 :AWPDSSTSE 2cblA 50 :TVDKKMVEK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07995 Ang W3.CH2 and T8.CG2 other bump:1.88986 Ang W3.CE2 and T8.CG2 other bump:1.83768 Ang W3.CZ2 and T8.CG2 other bump:1.95172 Ang W3.NE1 and T8.CG2 other bump:3.08645 Ang W3.CZ2 and T8.CB other bump:2.3977 Ang W3.CD1 and S7.OG Number of specific fragments= 1 total=1421 # 1kbhB.3.3 read from T0187.t2k.frag # adding 1kbhB to template set 1kbhB:# found chain 1kbhB in template set T0187 3 :AWPDSSTSE 1kbhB 51 :SISPSALQD Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68585 Ang A2.CB and D5.OD2 other bump:2.58764 Ang A2.CB and D5.OD1 other bump:2.9102 Ang A2.CB and D5.CG neighbor-bump: 2.55297 Ang W3.CB and P4.CD neighbor-bump: 2.29207 Ang W3.CG and P4.CD neighbor-bump: 2.55761 Ang W3.CD2 and P4.CD neighbor-bump: 3.08188 Ang W3.CE3 and P4.CD neighbor-bump: 2.21002 Ang W3.N and P4.CD neighbor-bump: 2.07595 Ang W3.CA and P4.CD neighbor-bump: 1.72568 Ang W3.C and P4.CD self-bump: 1.24073 Ang P4.N and P4.CD neighbor-bump: 3.00398 Ang W3.NE1 and P4.CG neighbor-bump: 2.68948 Ang W3.CG and P4.CG neighbor-bump: 2.21767 Ang W3.CD2 and P4.CG neighbor-bump: 2.47529 Ang W3.CE2 and P4.CG neighbor-bump: 2.67632 Ang W3.CE3 and P4.CG neighbor-bump: 3.10165 Ang W3.CZ2 and P4.CG neighbor-bump: 3.23974 Ang W3.CZ3 and P4.CG self-bump: 2.09998 Ang P4.N and P4.CG Number of specific fragments= 1 total=1422 # 1ap7.3.3 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 3 :AWPDSSTSE 1ap7 4 :LLEEVCVGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36926 Ang S9.CA and S9.CB other bump:3.23081 Ang S6.C and S9.N Number of specific fragments= 1 total=1423 # 1ga3A.3.3 read from T0187.t2k.frag # found chain 1ga3A in template set T0187 3 :AWPDSSTSE 1ga3A 4 :VPPSTALRE Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84765 Ang W3.CZ3 and T8.OG1 other bump:2.60687 Ang W3.CH2 and T8.OG1 other bump:2.92688 Ang W3.CE2 and D5.OD1 other bump:2.60449 Ang W3.CZ2 and D5.OD1 other bump:3.31508 Ang W3.CZ3 and D5.OD1 other bump:2.817 Ang W3.CH2 and D5.OD1 neighbor-bump: 3.20084 Ang W3.CZ3 and P4.C neighbor-bump: 2.88233 Ang W3.CE3 and P4.C neighbor-bump: 2.33123 Ang W3.CZ3 and P4.O neighbor-bump: 2.19705 Ang W3.CE3 and P4.O Number of specific fragments= 1 total=1424 # 1ii2A.3.3 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 3 :AWPDSSTSE 1ii2A 5 :IHRNLLSPE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1425 # 1kbhB.4.4 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 4 :WPDSSTSED 1kbhB 52 :ISPSALQDL Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55297 Ang W2.CB and P3.CD neighbor-bump: 2.29207 Ang W2.CG and P3.CD neighbor-bump: 2.55761 Ang W2.CD2 and P3.CD neighbor-bump: 3.08188 Ang W2.CE3 and P3.CD neighbor-bump: 2.21002 Ang W2.N and P3.CD neighbor-bump: 2.07595 Ang W2.CA and P3.CD neighbor-bump: 1.72568 Ang W2.C and P3.CD self-bump: 1.24073 Ang P3.N and P3.CD neighbor-bump: 2.68948 Ang W2.CG and P3.CG neighbor-bump: 2.21767 Ang W2.CD2 and P3.CG neighbor-bump: 2.47529 Ang W2.CE2 and P3.CG neighbor-bump: 2.67633 Ang W2.CE3 and P3.CG neighbor-bump: 3.00398 Ang W2.NE1 and P3.CG neighbor-bump: 3.10165 Ang W2.CZ2 and P3.CG neighbor-bump: 3.23974 Ang W2.CZ3 and P3.CG self-bump: 2.09998 Ang P3.N and P3.CG Number of specific fragments= 1 total=1426 # 1b47A.4.4 read from T0187.t2k.frag # found chain 1b47A in template set T0187 4 :WPDSSTSED 1b47A 51 :VDKKMVEKC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1427 # 2cblA.4.4 read from T0187.t2k.frag # found chain 2cblA in template set T0187 4 :WPDSSTSED 2cblA 51 :VDKKMVEKC Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07995 Ang W2.CH2 and T7.CG2 other bump:1.88986 Ang W2.CE2 and T7.CG2 other bump:1.95173 Ang W2.NE1 and T7.CG2 other bump:1.83768 Ang W2.CZ2 and T7.CG2 other bump:3.08645 Ang W2.CZ2 and T7.CB other bump:2.39769 Ang W2.CD1 and S6.OG Number of specific fragments= 1 total=1428 # 1ap7.4.4 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 4 :WPDSSTSED 1ap7 5 :LEEVCVGDR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36926 Ang S8.CA and S8.CB other bump:3.23081 Ang S5.C and S8.N Number of specific fragments= 1 total=1429 # 2crd.4.4 read from T0187.t2k.frag # adding 2crd to template set 2crd:Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: PCA for alphabet: ExtAA Replacing PCA with X Bad short name: OE for alphabet: pdb_atoms # found chain 2crd in template set T0187 4 :WPDSSTSED 2crd 5 :VSCTTSKEC Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.07687 Ang W2.CE2 and E9.OE2 other bump:2.17173 Ang W2.NE1 and E9.OE2 other bump:1.73151 Ang W2.CZ2 and E9.OE2 other bump:3.03987 Ang W2.CH2 and E9.OE2 other bump:2.94278 Ang W2.CD1 and E9.OE1 other bump:2.41179 Ang W2.CE2 and E9.OE1 other bump:1.93009 Ang W2.NE1 and E9.OE1 other bump:2.84479 Ang W2.CD1 and E9.CD other bump:2.10953 Ang W2.CE2 and E9.CD other bump:1.53412 Ang W2.NE1 and E9.CD other bump:2.41133 Ang W2.CZ2 and E9.CD other bump:2.74899 Ang W2.CD1 and E9.CG other bump:1.89539 Ang W2.NE1 and E9.CG self-bump: 1.34291 Ang S5.CA and S5.CB Number of specific fragments= 1 total=1430 # 1g1eB.4.4 read from T0187.t2k.frag # adding 1g1eB to template set 1g1eB:# found chain 1g1eB in template set T0187 4 :WPDSSTSED 1g1eB 299 :NQPVEFNHA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.9123 Ang W2.CE3 and P3.CG Number of specific fragments= 1 total=1431 # 1kbhB.5.5 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 5 :PDSSTSEDA 1kbhB 53 :SPSALQDLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1432 # 2crd.5.5 read from T0187.t2k.frag # found chain 2crd in template set T0187 5 :PDSSTSEDA 2crd 6 :SCTTSKECW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34291 Ang S4.CA and S4.CB Number of specific fragments= 1 total=1433 # 1ccwB.5.5 read from T0187.t2k.frag # adding 1ccwB to template set 1ccwB:# found chain 1ccwB in template set T0187 5 :PDSSTSEDA 1ccwB 6 :KKWTDEEFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1434 # 1ekzA.5.5 read from T0187.t2k.frag # adding 1ekzA to template set 1ekzA:# found chain 1ekzA in template set T0187 5 :PDSSTSEDA 1ekzA 6 :KKSPISQVH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1435 # 1cb7B.5.5 read from T0187.t2k.frag # adding 1cb7B to template set 1cb7B:# found chain 1cb7B in template set T0187 5 :PDSSTSEDA 1cb7B 6 :KKWTDEEFH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1436 # 1ap7.5.5 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 5 :PDSSTSEDA 1ap7 6 :EEVCVGDRL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.38898 Ang D9.CA and D9.CB self-bump: 1.36926 Ang S7.CA and S7.CB other bump:3.23081 Ang S4.C and S7.N Number of specific fragments= 1 total=1437 # 1kbhB.6.6 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 6 :DSSTSEDAL 1kbhB 54 :PSALQDLLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1438 # 2crd.6.6 read from T0187.t2k.frag # found chain 2crd in template set T0187 6 :DSSTSEDAL 2crd 7 :CTTSKECWS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34291 Ang S3.CA and S3.CB Number of specific fragments= 1 total=1439 # 1ccwB.6.6 read from T0187.t2k.frag # found chain 1ccwB in template set T0187 6 :DSSTSEDAL 1ccwB 7 :KWTDEEFHK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1440 # 1ds9A.6.2 read from T0187.t2k.frag # adding 1ds9A to template set 1ds9A:# found chain 1ds9A in template set T0187 6 :DSSTSEDAL 1ds9A 3 :KATTIKDAI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1441 # 1cb7B.6.6 read from T0187.t2k.frag # found chain 1cb7B in template set T0187 6 :DSSTSEDAL 1cb7B 7 :KWTDEEFHK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1442 # 1ekzA.6.6 read from T0187.t2k.frag # found chain 1ekzA in template set T0187 6 :DSSTSEDAL 1ekzA 7 :KSPISQVHE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1443 # 1ds9A.7.3 read from T0187.t2k.frag # found chain 1ds9A in template set T0187 7 :SSTSEDALK 1ds9A 4 :ATTIKDAIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1444 # 1ccwB.7.7 read from T0187.t2k.frag # found chain 1ccwB in template set T0187 7 :SSTSEDALK 1ccwB 8 :WTDEEFHKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1445 # 1g1eB.7.9 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 7 :SSTSEDALK 1g1eB 304 :FNHAINYVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1446 # 2crd.7.7 read from T0187.t2k.frag # found chain 2crd in template set T0187 7 :SSTSEDALK 2crd 8 :TTSKECWSV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34291 Ang S2.CA and S2.CB Number of specific fragments= 1 total=1447 # 1cb7B.7.7 read from T0187.t2k.frag # found chain 1cb7B in template set T0187 7 :SSTSEDALK 1cb7B 8 :WTDEEFHKQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1448 # 1tf4A.7.7 read from T0187.t2k.frag # adding 1tf4A to template set 1tf4A:# found chain 1tf4A in template set T0187 7 :SSTSEDALK 1tf4A 8 :EALQKSMFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1449 # 1ds9A.8.4 read from T0187.t2k.frag # found chain 1ds9A in template set T0187 8 :STSEDALKV 1ds9A 5 :TTIKDAIRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1450 # 1g1eB.8.10 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 8 :STSEDALKV 1g1eB 305 :NHAINYVNK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1451 # 1b47A.8.11 read from T0187.t2k.frag # found chain 1b47A in template set T0187 8 :STSEDALKV 1b47A 58 :KCWKLMDKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1452 # 2cblA.8.11 read from T0187.t2k.frag # found chain 2cblA in template set T0187 8 :STSEDALKV 2cblA 58 :KCWKLMDKV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.33112 Ang G1.O and E5.OE1 Number of specific fragments= 1 total=1453 # 1b47A.8.10 read from T0187.t2k.frag # found chain 1b47A in template set T0187 8 :STSEDALKV 1b47A 57 :EKCWKLMDK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69763 Ang S2.CA and E5.OE1 other bump:1.51615 Ang G1.O and E5.OE1 other bump:2.22478 Ang G1.C and E5.OE1 other bump:2.37957 Ang G1.O and E5.CD other bump:3.1454 Ang G1.C and E5.CD Number of specific fragments= 1 total=1454 # 1tf4A.8.8 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 8 :STSEDALKV 1tf4A 9 :ALQKSMFFY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1455 # 1ds9A.9.5 read from T0187.t2k.frag # found chain 1ds9A in template set T0187 9 :TSEDALKVL 1ds9A 6 :TIKDAIRIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1456 # 1g1eB.9.11 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 9 :TSEDALKVL 1g1eB 306 :HAINYVNKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1457 # 1b47A.9.12 read from T0187.t2k.frag # found chain 1b47A in template set T0187 9 :TSEDALKVL 1b47A 59 :CWKLMDKVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1458 # 2cblA.9.12 read from T0187.t2k.frag # found chain 2cblA in template set T0187 9 :TSEDALKVL 2cblA 59 :CWKLMDKVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1459 # 1b47A.9.11 read from T0187.t2k.frag # found chain 1b47A in template set T0187 9 :TSEDALKVL 1b47A 58 :KCWKLMDKV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1460 # 1eg9B.9.11 read from T0187.t2k.frag # adding 1eg9B to template set 1eg9B:# found chain 1eg9B in template set T0187 9 :TSEDALKVL 1eg9B 512 :SAHDAEEIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1461 # 1ds9A.10.6 read from T0187.t2k.frag # found chain 1ds9A in template set T0187 10 :SEDALKVLE 1ds9A 7 :IKDAIRIFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1462 # 1g1eB.10.12 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 10 :SEDALKVLE 1g1eB 307 :AINYVNKIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1463 # 1b47A.10.13 read from T0187.t2k.frag # found chain 1b47A in template set T0187 10 :SEDALKVLE 1b47A 60 :WKLMDKVVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1464 # 2cblA.10.13 read from T0187.t2k.frag # found chain 2cblA in template set T0187 10 :SEDALKVLE 2cblA 60 :WKLMDKVVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1465 # 1eg9B.10.12 read from T0187.t2k.frag # found chain 1eg9B in template set T0187 10 :SEDALKVLE 1eg9B 513 :AHDAEEILR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1466 # 1ndoB.10.12 read from T0187.t2k.frag # adding 1ndoB to template set 1ndoB:# found chain 1ndoB in template set T0187 10 :SEDALKVLE 1ndoB 513 :AHDAEEILR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1467 # 1g1eB.11.13 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 11 :EDALKVLEK 1g1eB 308 :INYVNKIKN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23546 Ang K6.CE and K10.NZ other bump:2.28602 Ang K6.CE and K10.CE Number of specific fragments= 1 total=1468 # 1ds9A.11.7 read from T0187.t2k.frag # found chain 1ds9A in template set T0187 11 :EDALKVLEK 1ds9A 8 :KDAIRIFEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1469 # 1b47A.11.14 read from T0187.t2k.frag # found chain 1b47A in template set T0187 11 :EDALKVLEK 1b47A 61 :KLMDKVVRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1470 # 2cblA.11.14 read from T0187.t2k.frag # found chain 2cblA in template set T0187 11 :EDALKVLEK 2cblA 61 :KLMDKVVRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1471 # 1eg9B.11.13 read from T0187.t2k.frag # found chain 1eg9B in template set T0187 11 :EDALKVLEK 1eg9B 514 :HDAEEILRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1472 # 1ndoB.11.13 read from T0187.t2k.frag # found chain 1ndoB in template set T0187 11 :EDALKVLEK 1ndoB 514 :HDAEEILRF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1473 # 1g1eB.12.14 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 12 :DALKVLEKY 1g1eB 309 :NYVNKIKNR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23546 Ang K5.CE and K9.NZ other bump:2.28601 Ang K5.CE and K9.CE Number of specific fragments= 1 total=1474 # 1ds9A.12.8 read from T0187.t2k.frag # found chain 1ds9A in template set T0187 12 :DALKVLEKY 1ds9A 9 :DAIRIFEER Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39614 Ang Y10.CA and Y10.CB Number of specific fragments= 1 total=1475 # 1ekzA.12.12 read from T0187.t2k.frag # found chain 1ekzA in template set T0187 12 :DALKVLEKY 1ekzA 13 :VHEIGIKRN Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.14725 Ang V6.CG1 and G11.CA neighbor-bump: 2.53472 Ang K9.O and Y10.CE2 neighbor-bump: 1.76556 Ang K9.O and Y10.CD2 neighbor-bump: 2.95807 Ang K9.C and Y10.CD2 neighbor-bump: 1.93773 Ang K9.O and Y10.CG neighbor-bump: 2.78543 Ang K9.C and Y10.CG self-bump: 2.12512 Ang K9.CB and K9.C self-bump: 1.28158 Ang K9.CA and K9.CB other bump:2.4962 Ang D2.O and V6.CG2 Number of specific fragments= 1 total=1476 # 1dzfA.12.17 read from T0187.t2k.frag # adding 1dzfA to template set 1dzfA:# found chain 1dzfA in template set T0187 12 :DALKVLEKY 1dzfA 18 :TVKEMVKDR Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.86697 Ang V6.CG1 and Y10.CE1 other bump:2.26664 Ang V6.O and Y10.CD1 Number of specific fragments= 1 total=1477 # 1eg9B.12.14 read from T0187.t2k.frag # found chain 1eg9B in template set T0187 12 :DALKVLEKY 1eg9B 515 :DAEEILRFF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1478 # 1ndoB.12.14 read from T0187.t2k.frag # found chain 1ndoB in template set T0187 12 :DALKVLEKY 1ndoB 515 :DAEEILRFF Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43692 Ang V6.CG1 and Y10.CZ other bump:2.96255 Ang V6.CB and Y10.CE1 other bump:1.45976 Ang V6.CG1 and Y10.CE1 other bump:2.56463 Ang V6.O and Y10.CD1 other bump:2.27861 Ang V6.CG1 and Y10.CD1 Number of specific fragments= 1 total=1479 # 1g1eB.13.15 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 13 :ALKVLEKYG 1g1eB 310 :YVNKIKNRF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.23546 Ang K4.CE and K8.NZ other bump:2.28601 Ang K4.CE and K8.CE Number of specific fragments= 1 total=1480 # 1ekzA.13.13 read from T0187.t2k.frag # found chain 1ekzA in template set T0187 13 :ALKVLEKYG 1ekzA 14 :HEIGIKRNM Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27527 Ang V5.CG1 and G10.C other bump:1.13272 Ang V5.CG1 and G10.O other bump:2.60431 Ang V5.CB and G10.O other bump:3.14725 Ang V5.CG1 and G10.CA neighbor-bump: 2.53472 Ang K8.O and Y9.CE2 neighbor-bump: 1.76556 Ang K8.O and Y9.CD2 neighbor-bump: 2.95807 Ang K8.C and Y9.CD2 neighbor-bump: 1.93774 Ang K8.O and Y9.CG neighbor-bump: 2.78543 Ang K8.C and Y9.CG self-bump: 2.12512 Ang K8.CB and K8.C self-bump: 1.28158 Ang K8.CA and K8.CB other bump:2.4962 Ang G1.O and V5.CG2 Number of specific fragments= 1 total=1481 # 1dzfA.13.18 read from T0187.t2k.frag # found chain 1dzfA in template set T0187 13 :ALKVLEKYG 1dzfA 19 :VKEMVKDRG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.00258 Ang V5.CG1 and Y9.CZ other bump:2.49192 Ang V5.CG1 and Y9.CE2 other bump:2.58126 Ang V5.O and Y9.CD2 Number of specific fragments= 1 total=1482 # 1ds9A.13.9 read from T0187.t2k.frag # found chain 1ds9A in template set T0187 13 :ALKVLEKYG 1ds9A 10 :AIRIFEERK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39614 Ang Y9.CA and Y9.CB Number of specific fragments= 1 total=1483 # 1tf4A.13.13 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 13 :ALKVLEKYG 1tf4A 14 :MFFYEAQRS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.92631 Ang L6.CA and Y9.CE1 other bump:2.66912 Ang V5.O and Y9.CD1 Number of specific fragments= 1 total=1484 # 1eg9B.13.15 read from T0187.t2k.frag # found chain 1eg9B in template set T0187 13 :ALKVLEKYG 1eg9B 516 :AEEILRFFN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1485 # 1g1eB.14.16 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 14 :LKVLEKYGI 1g1eB 311 :VNKIKNRFQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13445 Ang K7.O and I10.CG1 other bump:3.04603 Ang K7.C and I10.CG1 other bump:2.23546 Ang K3.CE and K7.NZ other bump:2.28602 Ang K3.CE and K7.CE Number of specific fragments= 1 total=1486 # 1ekzA.14.14 read from T0187.t2k.frag # found chain 1ekzA in template set T0187 14 :LKVLEKYGI 1ekzA 15 :EIGIKRNMT Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27527 Ang V4.CG1 and G9.C other bump:2.60431 Ang V4.CB and G9.O other bump:1.13273 Ang V4.CG1 and G9.O other bump:3.14725 Ang V4.CG1 and G9.CA neighbor-bump: 2.53472 Ang K7.O and Y8.CE2 neighbor-bump: 1.76556 Ang K7.O and Y8.CD2 neighbor-bump: 2.95807 Ang K7.C and Y8.CD2 neighbor-bump: 1.93774 Ang K7.O and Y8.CG neighbor-bump: 2.78543 Ang K7.C and Y8.CG self-bump: 2.12512 Ang K7.CB and K7.C self-bump: 1.28158 Ang K7.CA and K7.CB Number of specific fragments= 1 total=1487 # 1kiyA.14.15 read from T0187.t2k.frag # adding 1kiyA to template set 1kiyA:# found chain 1kiyA in template set T0187 14 :LKVLEKYGI 1kiyA 16 :LLEYIRYRD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.98092 Ang K3.NZ and Y8.CZ other bump:2.4782 Ang K3.NZ and Y8.CE2 other bump:2.58919 Ang K3.NZ and Y8.CD2 Number of specific fragments= 1 total=1488 # 1jfaA.14.15 read from T0187.t2k.frag # adding 1jfaA to template set 1jfaA:# found chain 1jfaA in template set T0187 14 :LKVLEKYGI 1jfaA 16 :LLEYIRYRD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58625 Ang G1.O and L5.CD1 Number of specific fragments= 1 total=1489 # 1jfgA.14.15 read from T0187.t2k.frag # adding 1jfgA to template set 1jfgA:# found chain 1jfgA in template set T0187 14 :LKVLEKYGI 1jfgA 16 :LLEYIRYRD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85641 Ang K3.NZ and Y8.CE2 other bump:2.78887 Ang K3.NZ and Y8.CD2 Number of specific fragments= 1 total=1490 # 1tf4A.14.14 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 14 :LKVLEKYGI 1tf4A 15 :FFYEAQRSG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01296 Ang I10.CG2 and G11.CA neighbor-bump: 2.47686 Ang I10.CB and G11.N neighbor-bump: 1.83711 Ang I10.CG2 and G11.N self-bump: 2.35646 Ang I10.CG2 and I10.C self-bump: 1.32156 Ang I10.CA and I10.CB other bump:2.92631 Ang L5.CA and Y8.CE1 other bump:2.66912 Ang V4.O and Y8.CD1 Number of specific fragments= 1 total=1491 # 1g1eB.15.17 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 15 :KVLEKYGIE 1g1eB 312 :NKIKNRFQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13445 Ang K6.O and I9.CG1 other bump:3.04603 Ang K6.C and I9.CG1 other bump:2.23546 Ang K2.CE and K6.NZ other bump:2.28601 Ang K2.CE and K6.CE Number of specific fragments= 1 total=1492 # 1jygA.15.15 read from T0187.t2k.frag # adding 1jygA to template set 1jygA:# found chain 1jygA in template set T0187 15 :KVLEKYGIE 1jygA 16 :KVKEQWGKL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36033 Ang L4.O and G8.CA other bump:3.38263 Ang L4.C and G8.CA other bump:3.15805 Ang L4.C and G8.N self-bump: 1.37795 Ang Y7.CA and Y7.CB Number of specific fragments= 1 total=1493 # 1tf4A.15.15 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 15 :KVLEKYGIE 1tf4A 16 :FYEAQRSGK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01296 Ang I9.CG2 and E10.CA neighbor-bump: 2.47686 Ang I9.CB and E10.N neighbor-bump: 1.83712 Ang I9.CG2 and E10.N self-bump: 2.35647 Ang I9.CG2 and I9.C self-bump: 1.32156 Ang I9.CA and I9.CB other bump:2.92631 Ang L4.CA and Y7.CE1 other bump:2.66912 Ang V3.O and Y7.CD1 Number of specific fragments= 1 total=1494 # 1kiyA.15.16 read from T0187.t2k.frag # found chain 1kiyA in template set T0187 15 :KVLEKYGIE 1kiyA 17 :LEYIRYRDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1495 # 1jfaA.15.16 read from T0187.t2k.frag # found chain 1jfaA in template set T0187 15 :KVLEKYGIE 1jfaA 17 :LEYIRYRDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1496 # 1jfgA.15.16 read from T0187.t2k.frag # found chain 1jfgA in template set T0187 15 :KVLEKYGIE 1jfgA 17 :LEYIRYRDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1497 # 1tf4A.16.16 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 16 :VLEKYGIET 1tf4A 17 :YEAQRSGKL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01296 Ang I8.CG2 and E9.CA neighbor-bump: 2.47686 Ang I8.CB and E9.N neighbor-bump: 1.83712 Ang I8.CG2 and E9.N self-bump: 2.35647 Ang I8.CG2 and I8.C self-bump: 1.32156 Ang I8.CA and I8.CB other bump:2.92631 Ang L3.CA and Y6.CE1 other bump:2.66912 Ang V2.O and Y6.CD1 Number of specific fragments= 1 total=1498 # 1g1eB.16.18 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 16 :VLEKYGIET 1g1eB 313 :KIKNRFQGQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60446 Ang G7.C and T10.OG1 other bump:2.4111 Ang G7.CA and T10.OG1 other bump:2.13445 Ang K5.O and I8.CG1 other bump:3.04603 Ang K5.C and I8.CG1 Number of specific fragments= 1 total=1499 # 1kiyA.16.16 read from T0187.t2k.frag # found chain 1kiyA in template set T0187 16 :VLEKYGIET 1kiyA 17 :LEYIRYRDS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42876 Ang G7.O and I8.CG2 neighbor-bump: 2.92719 Ang G7.C and I8.CG2 Number of specific fragments= 1 total=1500 # 1jfaA.16.16 read from T0187.t2k.frag # found chain 1jfaA in template set T0187 16 :VLEKYGIET 1jfaA 17 :LEYIRYRDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1501 # 1jfgA.16.16 read from T0187.t2k.frag # found chain 1jfgA in template set T0187 16 :VLEKYGIET 1jfgA 17 :LEYIRYRDS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56195 Ang G7.O and I8.CG2 neighbor-bump: 2.95697 Ang G7.C and I8.CG2 Number of specific fragments= 1 total=1502 # 1kiyA.16.17 read from T0187.t2k.frag # found chain 1kiyA in template set T0187 16 :VLEKYGIET 1kiyA 18 :EYIRYRDSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1503 # 1tf4A.17.17 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 17 :LEKYGIETS 1tf4A 18 :EAQRSGKLP Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01296 Ang I7.CG2 and E8.CA neighbor-bump: 1.83712 Ang I7.CG2 and E8.N neighbor-bump: 2.47686 Ang I7.CB and E8.N self-bump: 2.35647 Ang I7.CG2 and I7.C self-bump: 1.32156 Ang I7.CA and I7.CB other bump:2.92631 Ang L2.CA and Y5.CE1 other bump:2.66912 Ang G1.O and Y5.CD1 Number of specific fragments= 1 total=1504 # 2kinB.17.18 read from T0187.t2k.frag # adding 2kinB to template set 2kinB:# found chain 2kinB in template set T0187 17 :LEKYGIETS 2kinB 270 :AEGTKTHVP Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.06954 Ang I7.CG2 and E8.CG neighbor-bump: 2.32124 Ang I7.CG2 and E8.N self-bump: 1.28738 Ang I7.CA and I7.CB other bump:2.52541 Ang E3.CD and Y5.OH other bump:1.28603 Ang E3.OE2 and Y5.OH other bump:2.28285 Ang E3.CD and Y5.CZ other bump:1.45291 Ang E3.OE2 and Y5.CZ other bump:2.72263 Ang E3.CB and Y5.CE2 other bump:2.56637 Ang E3.CG and Y5.CE2 other bump:1.43394 Ang E3.CD and Y5.CE2 other bump:1.78576 Ang E3.OE1 and Y5.CE2 other bump:1.54209 Ang E3.OE2 and Y5.CE2 other bump:2.80421 Ang E3.CB and Y5.CD2 other bump:2.56475 Ang E3.CD and Y5.CD2 other bump:2.46954 Ang E3.OE1 and Y5.CD2 Number of specific fragments= 1 total=1505 # 1h9eA.17.18 read from T0187.t2k.frag # adding 1h9eA to template set 1h9eA:# found chain 1h9eA in template set T0187 17 :LEKYGIETS 1h9eA 19 :LVANNVTLP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.49356 Ang L2.CB and I7.CD1 other bump:2.23386 Ang L2.CG and I7.CD1 other bump:1.12568 Ang L2.CD1 and I7.CD1 neighbor-bump: 2.26165 Ang G6.O and I7.CG2 neighbor-bump: 2.85969 Ang G6.C and I7.CG2 other bump:2.82231 Ang L2.CB and I7.CG1 other bump:2.62635 Ang L2.CD1 and I7.CG1 other bump:3.13171 Ang G1.C and Y5.CD2 Number of specific fragments= 1 total=1506 # 1kiyA.17.17 read from T0187.t2k.frag # found chain 1kiyA in template set T0187 17 :LEKYGIETS 1kiyA 18 :EYIRYRDSN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42876 Ang G6.O and I7.CG2 neighbor-bump: 2.92719 Ang G6.C and I7.CG2 Number of specific fragments= 1 total=1507 # 1jfaA.17.17 read from T0187.t2k.frag # found chain 1jfaA in template set T0187 17 :LEKYGIETS 1jfaA 18 :EYIRYRDSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1508 # 1jfgA.17.17 read from T0187.t2k.frag # found chain 1jfgA in template set T0187 17 :LEKYGIETS 1jfgA 18 :EYIRYRDSN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95697 Ang G6.C and I7.CG2 neighbor-bump: 2.56195 Ang G6.O and I7.CG2 Number of specific fragments= 1 total=1509 # 1tf4A.18.18 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 18 :EKYGIETSE 1tf4A 19 :AQRSGKLPE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01296 Ang I6.CG2 and E7.CA neighbor-bump: 1.83712 Ang I6.CG2 and E7.N neighbor-bump: 2.47686 Ang I6.CB and E7.N self-bump: 2.35647 Ang I6.CG2 and I6.C self-bump: 1.32156 Ang I6.CA and I6.CB Number of specific fragments= 1 total=1510 # 2kinB.18.19 read from T0187.t2k.frag # found chain 2kinB in template set T0187 18 :EKYGIETSE 2kinB 271 :EGTKTHVPY Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.06954 Ang I6.CG2 and E7.CG neighbor-bump: 2.32124 Ang I6.CG2 and E7.N self-bump: 1.28738 Ang I6.CA and I6.CB other bump:2.52541 Ang E2.CD and Y4.OH other bump:1.28603 Ang E2.OE2 and Y4.OH other bump:2.28285 Ang E2.CD and Y4.CZ other bump:1.45291 Ang E2.OE2 and Y4.CZ other bump:2.72263 Ang E2.CB and Y4.CE2 other bump:2.56637 Ang E2.CG and Y4.CE2 other bump:1.43394 Ang E2.CD and Y4.CE2 other bump:1.78576 Ang E2.OE1 and Y4.CE2 other bump:1.54209 Ang E2.OE2 and Y4.CE2 other bump:2.80421 Ang E2.CB and Y4.CD2 other bump:2.56475 Ang E2.CD and Y4.CD2 other bump:2.46954 Ang E2.OE1 and Y4.CD2 Number of specific fragments= 1 total=1511 # 1h9eA.18.19 read from T0187.t2k.frag # found chain 1h9eA in template set T0187 18 :EKYGIETSE 1h9eA 20 :VANNVTLPA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34197 Ang S9.CA and S9.CB neighbor-bump: 2.26165 Ang G5.O and I6.CG2 neighbor-bump: 2.85969 Ang G5.C and I6.CG2 Number of specific fragments= 1 total=1512 # 1jfaA.18.18 read from T0187.t2k.frag # found chain 1jfaA in template set T0187 18 :EKYGIETSE 1jfaA 19 :YIRYRDSNY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1513 # 1jfgA.18.18 read from T0187.t2k.frag # found chain 1jfgA in template set T0187 18 :EKYGIETSE 1jfgA 19 :YIRYRDSNY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.95697 Ang G5.C and I6.CG2 neighbor-bump: 2.56195 Ang G5.O and I6.CG2 Number of specific fragments= 1 total=1514 # 1kiyA.18.18 read from T0187.t2k.frag # found chain 1kiyA in template set T0187 18 :EKYGIETSE 1kiyA 19 :YIRYRDSNY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42876 Ang G5.O and I6.CG2 neighbor-bump: 2.92719 Ang G5.C and I6.CG2 Number of specific fragments= 1 total=1515 # 1tf4A.19.19 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 19 :KYGIETSES 1tf4A 20 :QRSGKLPEN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.01296 Ang I5.CG2 and E6.CA neighbor-bump: 1.83712 Ang I5.CG2 and E6.N neighbor-bump: 2.47686 Ang I5.CB and E6.N self-bump: 2.35647 Ang I5.CG2 and I5.C self-bump: 1.32156 Ang I5.CA and I5.CB Number of specific fragments= 1 total=1516 # 2kinB.19.20 read from T0187.t2k.frag # found chain 2kinB in template set T0187 19 :KYGIETSES 2kinB 272 :GTKTHVPYR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.06954 Ang I5.CG2 and E6.CG neighbor-bump: 2.32124 Ang I5.CG2 and E6.N self-bump: 1.28738 Ang I5.CA and I5.CB Number of specific fragments= 1 total=1517 # 1eulA.19.19 read from T0187.t2k.frag # adding 1eulA to template set 1eulA:# found chain 1eulA in template set T0187 19 :KYGIETSES 1eulA 20 :ETTGLTPDQ Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72727 Ang E6.CD and G11.CA other bump:2.00725 Ang E6.OE2 and G11.CA other bump:2.7784 Ang E6.CD and G11.N other bump:2.0745 Ang E6.OE2 and G11.N other bump:2.44499 Ang E6.OE2 and S10.C neighbor-bump: 3.03205 Ang I5.CG2 and E6.CA neighbor-bump: 1.8994 Ang I5.CG2 and E6.N self-bump: 2.37663 Ang I5.CG2 and I5.C neighbor-bump: 2.22609 Ang G4.O and I5.O self-bump: 1.35388 Ang I5.CA and I5.CB Number of specific fragments= 1 total=1518 # 1g1eB.19.21 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 19 :KYGIETSES 1g1eB 316 :NRFQGQPDI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4111 Ang G4.CA and T7.OG1 other bump:2.60446 Ang G4.C and T7.OG1 other bump:2.13445 Ang K2.O and I5.CG1 other bump:3.04603 Ang K2.C and I5.CG1 Number of specific fragments= 1 total=1519 # 1g1eB.19.20 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 19 :KYGIETSES 1g1eB 315 :KNRFQGQPD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1520 # 1h9eA.19.20 read from T0187.t2k.frag # found chain 1h9eA in template set T0187 19 :KYGIETSES 1h9eA 21 :ANNVTLPAG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.34197 Ang S8.CA and S8.CB neighbor-bump: 2.26165 Ang G4.O and I5.CG2 neighbor-bump: 2.85969 Ang G4.C and I5.CG2 Number of specific fragments= 1 total=1521 # 1eulA.20.20 read from T0187.t2k.frag # found chain 1eulA in template set T0187 20 :YGIETSESV 1eulA 21 :TTGLTPDQV Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.96158 Ang E5.CD and V10.CG2 other bump:1.93145 Ang E5.OE1 and V10.CG2 other bump:2.57522 Ang E5.CG and V10.CG2 other bump:2.59653 Ang E5.OE2 and V10.CG2 other bump:2.8009 Ang E5.CD and V10.CB other bump:2.86581 Ang E5.OE1 and V10.CB other bump:2.72727 Ang E5.CD and V10.CA other bump:2.00725 Ang E5.OE2 and V10.CA other bump:2.7784 Ang E5.CD and V10.N other bump:2.0745 Ang E5.OE2 and V10.N other bump:2.44499 Ang E5.OE2 and S9.C neighbor-bump: 3.03205 Ang I4.CG2 and E5.CA neighbor-bump: 1.8994 Ang I4.CG2 and E5.N self-bump: 2.37663 Ang I4.CG2 and I4.C neighbor-bump: 2.22609 Ang G3.O and I4.O self-bump: 1.35388 Ang I4.CA and I4.CB Number of specific fragments= 1 total=1522 # 1tf4A.20.20 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 20 :YGIETSESV 1tf4A 21 :RSGKLPENN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43159 Ang S7.O and V10.CG2 neighbor-bump: 3.01296 Ang I4.CG2 and E5.CA neighbor-bump: 1.83712 Ang I4.CG2 and E5.N neighbor-bump: 2.47686 Ang I4.CB and E5.N self-bump: 2.35647 Ang I4.CG2 and I4.C self-bump: 1.32156 Ang I4.CA and I4.CB Number of specific fragments= 1 total=1523 # 2kinB.20.21 read from T0187.t2k.frag # found chain 2kinB in template set T0187 20 :YGIETSESV 2kinB 273 :TKTHVPYRD Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.19522 Ang Y2.OH and E5.OE1 neighbor-bump: 3.06954 Ang I4.CG2 and E5.CG neighbor-bump: 2.32124 Ang I4.CG2 and E5.N other bump:2.92774 Ang Y2.CE2 and I4.C other bump:2.52714 Ang Y2.CD2 and I4.O other bump:1.72367 Ang Y2.CE2 and I4.O other bump:2.59653 Ang Y2.CZ and I4.O self-bump: 1.28738 Ang I4.CA and I4.CB Number of specific fragments= 1 total=1524 # 1g1eB.20.22 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 20 :YGIETSESV 1g1eB 317 :RFQGQPDIY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60446 Ang G3.C and T6.OG1 other bump:2.4111 Ang G3.CA and T6.OG1 other bump:2.13445 Ang G1.O and I4.CG1 other bump:3.04603 Ang G1.C and I4.CG1 Number of specific fragments= 1 total=1525 # 1g1eB.20.21 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 20 :YGIETSESV 1g1eB 316 :NRFQGQPDI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77969 Ang I4.CD1 and V10.CG2 other bump:2.82487 Ang I4.CG2 and V10.CB Number of specific fragments= 1 total=1526 # 1ca1.20.25 read from T0187.t2k.frag # adding 1ca1 to template set 1ca1:# found chain 1ca1 in template set T0187 20 :YGIETSESV 1ca1 26 :LSKNEPESV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7233 Ang Y2.CD2 and T6.OG1 other bump:1.7982 Ang Y2.CE2 and T6.OG1 other bump:1.87899 Ang Y2.CZ and T6.OG1 other bump:2.22233 Ang Y2.OH and T6.OG1 other bump:3.06383 Ang Y2.CE2 and T6.CB other bump:2.60716 Ang Y2.CZ and T6.CB other bump:2.67551 Ang Y2.OH and T6.CB Number of specific fragments= 1 total=1527 # 1eulA.21.21 read from T0187.t2k.frag # found chain 1eulA in template set T0187 21 :GIETSESVK 1eulA 22 :TGLTPDQVK Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.96158 Ang E4.CD and V9.CG2 other bump:1.93145 Ang E4.OE1 and V9.CG2 other bump:2.59653 Ang E4.OE2 and V9.CG2 other bump:2.57522 Ang E4.CG and V9.CG2 other bump:2.8009 Ang E4.CD and V9.CB other bump:2.86581 Ang E4.OE1 and V9.CB other bump:2.72727 Ang E4.CD and V9.CA other bump:2.00725 Ang E4.OE2 and V9.CA other bump:2.7784 Ang E4.CD and V9.N other bump:2.0745 Ang E4.OE2 and V9.N other bump:2.44499 Ang E4.OE2 and S8.C neighbor-bump: 3.03205 Ang I3.CG2 and E4.CA neighbor-bump: 1.8994 Ang I3.CG2 and E4.N self-bump: 2.37663 Ang I3.CG2 and I3.C neighbor-bump: 2.22609 Ang G2.O and I3.O self-bump: 1.35388 Ang I3.CA and I3.CB Number of specific fragments= 1 total=1528 # 1tf4A.21.21 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 21 :GIETSESVK 1tf4A 22 :SGKLPENNR Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43159 Ang S6.O and V9.CG2 neighbor-bump: 3.01296 Ang I3.CG2 and E4.CA neighbor-bump: 1.83712 Ang I3.CG2 and E4.N neighbor-bump: 2.47686 Ang I3.CB and E4.N self-bump: 2.35647 Ang I3.CG2 and I3.C self-bump: 1.32156 Ang I3.CA and I3.CB Number of specific fragments= 1 total=1529 # 2kinB.21.22 read from T0187.t2k.frag # found chain 2kinB in template set T0187 21 :GIETSESVK 2kinB 274 :KTHVPYRDS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.06954 Ang I3.CG2 and E4.CG neighbor-bump: 2.32124 Ang I3.CG2 and E4.N self-bump: 1.28738 Ang I3.CA and I3.CB Number of specific fragments= 1 total=1530 # 1g1eB.21.23 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 21 :GIETSESVK 1g1eB 318 :FQGQPDIYK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60446 Ang G2.C and T5.OG1 other bump:2.4111 Ang G2.CA and T5.OG1 Number of specific fragments= 1 total=1531 # 1g1eB.21.22 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 21 :GIETSESVK 1g1eB 317 :RFQGQPDIY Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77969 Ang I3.CD1 and V9.CG2 other bump:2.82487 Ang I3.CG2 and V9.CB Number of specific fragments= 1 total=1532 # 1ca1.21.26 read from T0187.t2k.frag # found chain 1ca1 in template set T0187 21 :GIETSESVK 1ca1 27 :SKNEPESVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1533 # 1eulA.22.22 read from T0187.t2k.frag # found chain 1eulA in template set T0187 22 :IETSESVKR 1eulA 23 :GLTPDQVKR Fragment has 16 clashes (null) has 16 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57522 Ang E3.CG and V8.CG2 other bump:1.96158 Ang E3.CD and V8.CG2 other bump:1.93145 Ang E3.OE1 and V8.CG2 other bump:2.59653 Ang E3.OE2 and V8.CG2 other bump:2.8009 Ang E3.CD and V8.CB other bump:2.86581 Ang E3.OE1 and V8.CB other bump:2.72727 Ang E3.CD and V8.CA other bump:2.00725 Ang E3.OE2 and V8.CA other bump:2.7784 Ang E3.CD and V8.N other bump:2.0745 Ang E3.OE2 and V8.N other bump:2.44499 Ang E3.OE2 and S7.C neighbor-bump: 3.03206 Ang I2.CG2 and E3.CA neighbor-bump: 1.89942 Ang I2.CG2 and E3.N self-bump: 2.37663 Ang I2.CG2 and I2.C neighbor-bump: 2.22609 Ang G1.O and I2.O self-bump: 1.35388 Ang I2.CA and I2.CB Number of specific fragments= 1 total=1534 # 1tf4A.22.22 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 22 :IETSESVKR 1tf4A 23 :GKLPENNRV Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43159 Ang S5.O and V8.CG2 neighbor-bump: 3.01296 Ang I2.CG2 and E3.CA neighbor-bump: 2.47686 Ang I2.CB and E3.N neighbor-bump: 1.83712 Ang I2.CG2 and E3.N self-bump: 2.35647 Ang I2.CG2 and I2.C self-bump: 1.32156 Ang I2.CA and I2.CB Number of specific fragments= 1 total=1535 # 1g1eB.22.24 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 22 :IETSESVKR 1g1eB 319 :QGQPDIYKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.60446 Ang G1.C and T4.OG1 Number of specific fragments= 1 total=1536 # 2kinB.22.23 read from T0187.t2k.frag # found chain 2kinB in template set T0187 22 :IETSESVKR 2kinB 275 :THVPYRDSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1537 # 1g1eB.22.23 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 22 :IETSESVKR 1g1eB 318 :FQGQPDIYK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.77969 Ang I2.CD1 and V8.CG2 other bump:2.82487 Ang I2.CG2 and V8.CB Number of specific fragments= 1 total=1538 # 1ca1.22.27 read from T0187.t2k.frag # found chain 1ca1 in template set T0187 22 :IETSESVKR 1ca1 28 :KNEPESVRK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1539 # 1eulA.23.23 read from T0187.t2k.frag # found chain 1eulA in template set T0187 23 :ETSESVKRA 1eulA 24 :LTPDQVKRH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1540 # 1g1eB.23.25 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 23 :ETSESVKRA 1g1eB 320 :GQPDIYKAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1541 # 1kbhB.23.23 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 23 :ETSESVKRA 1kbhB 71 :QQQQQVLNI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1542 # 1g1eB.23.24 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 23 :ETSESVKRA 1g1eB 319 :QGQPDIYKA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03194 Ang E2.OE1 and T3.OG1 Number of specific fragments= 1 total=1543 # 2kinB.23.24 read from T0187.t2k.frag # found chain 2kinB in template set T0187 23 :ETSESVKRA 2kinB 276 :HVPYRDSKM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1544 # 1tf4A.23.23 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 23 :ETSESVKRA 1tf4A 24 :KLPENNRVS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43159 Ang S4.O and V7.CG2 Number of specific fragments= 1 total=1545 # 1eulA.24.24 read from T0187.t2k.frag # found chain 1eulA in template set T0187 24 :TSESVKRAI 1eulA 25 :TPDQVKRHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1546 # 1g1eB.24.26 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 24 :TSESVKRAI 1g1eB 321 :QPDIYKAFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1547 # 1kbhB.24.24 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 24 :TSESVKRAI 1kbhB 72 :QQQQVLNIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1548 # 1g1eB.24.25 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 24 :TSESVKRAI 1g1eB 320 :GQPDIYKAF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1549 # 2kinB.24.25 read from T0187.t2k.frag # found chain 2kinB in template set T0187 24 :TSESVKRAI 2kinB 277 :VPYRDSKMT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34697 Ang S3.O and I10.CD1 other bump:2.53199 Ang E4.O and I10.CD1 other bump:2.46652 Ang E4.CA and I10.CD1 other bump:2.62237 Ang E4.C and I10.CD1 other bump:2.88213 Ang K7.CE and I10.CG2 other bump:2.23702 Ang E4.O and I10.CG1 other bump:2.94089 Ang E4.C and I10.CG1 Number of specific fragments= 1 total=1550 # 1tf4A.24.24 read from T0187.t2k.frag # found chain 1tf4A in template set T0187 24 :TSESVKRAI 1tf4A 25 :LPENNRVSW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43159 Ang S3.O and V6.CG2 Number of specific fragments= 1 total=1551 # 1eulA.25.25 read from T0187.t2k.frag # found chain 1eulA in template set T0187 25 :SESVKRAIL 1eulA 26 :PDQVKRHLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1552 # 1g1eB.25.27 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 25 :SESVKRAIL 1g1eB 322 :PDIYKAFLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1553 # 1kbhB.25.25 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 25 :SESVKRAIL 1kbhB 73 :QQQVLNILK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1554 # 1g1eB.25.26 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 25 :SESVKRAIL 1g1eB 321 :QPDIYKAFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1555 # 2kinB.25.26 read from T0187.t2k.frag # found chain 2kinB in template set T0187 25 :SESVKRAIL 2kinB 278 :PYRDSKMTR Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34697 Ang S2.O and I9.CD1 other bump:2.532 Ang E3.O and I9.CD1 other bump:2.62237 Ang E3.C and I9.CD1 other bump:2.46652 Ang E3.CA and I9.CD1 other bump:2.88213 Ang K6.CE and I9.CG2 other bump:2.23703 Ang E3.O and I9.CG1 other bump:2.94089 Ang E3.C and I9.CG1 Number of specific fragments= 1 total=1556 # 1ca1.25.30 read from T0187.t2k.frag # found chain 1ca1 in template set T0187 25 :SESVKRAIL 1ca1 31 :PESVRKNLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1557 # 1eulA.26.26 read from T0187.t2k.frag # found chain 1eulA in template set T0187 26 :ESVKRAILQ 1eulA 27 :DQVKRHLEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1558 # 1kbhB.26.26 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 26 :ESVKRAILQ 1kbhB 74 :QQVLNILKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1559 # 1g1eB.26.28 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 26 :ESVKRAILQ 1g1eB 323 :DIYKAFLEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1560 # 1g1eB.26.27 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 26 :ESVKRAILQ 1g1eB 322 :PDIYKAFLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1561 # 2kinB.26.27 read from T0187.t2k.frag # found chain 2kinB in template set T0187 26 :ESVKRAILQ 2kinB 279 :YRDSKMTRI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.34697 Ang G1.O and I8.CD1 other bump:2.532 Ang E2.O and I8.CD1 other bump:2.46652 Ang E2.CA and I8.CD1 other bump:2.62237 Ang E2.C and I8.CD1 other bump:2.88213 Ang K5.CE and I8.CG2 other bump:2.23703 Ang E2.O and I8.CG1 other bump:2.94089 Ang E2.C and I8.CG1 Number of specific fragments= 1 total=1562 # 1bw6A.26.27 read from T0187.t2k.frag # adding 1bw6A to template set 1bw6A:# found chain 1bw6A in template set T0187 26 :ESVKRAILQ 1bw6A 28 :KGEIARRFN Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.13205 Ang R6.NH1 and G11.CA neighbor-bump: 2.31093 Ang L9.O and Q10.CG self-bump: 1.33971 Ang Q10.CA and Q10.CB other bump:2.91706 Ang K5.CA and I8.CD1 other bump:2.24284 Ang V4.O and I8.CG1 Number of specific fragments= 1 total=1563 # 1eulA.27.27 read from T0187.t2k.frag # found chain 1eulA in template set T0187 27 :SVKRAILQE 1eulA 28 :QVKRHLEKY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1564 # 1kbhB.27.27 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 27 :SVKRAILQE 1kbhB 75 :QVLNILKSN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1565 # 1g1eB.27.28 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 27 :SVKRAILQE 1g1eB 323 :DIYKAFLEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1566 # 1g1eB.27.29 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 27 :SVKRAILQE 1g1eB 324 :IYKAFLEIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1567 # 1iioA.27.31 read from T0187.t2k.frag # adding 1iioA to template set 1iioA:# found chain 1iioA in template set T0187 27 :SVKRAILQE 1iioA 29 :ELMAALPNG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.37924 Ang G1.O and R5.CG other bump:3.22671 Ang S2.C and R5.N Number of specific fragments= 1 total=1568 # 2kinB.27.28 read from T0187.t2k.frag # found chain 2kinB in template set T0187 27 :SVKRAILQE 2kinB 280 :RDSKMTRIL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.532 Ang G1.O and I7.CD1 other bump:2.62237 Ang G1.C and I7.CD1 other bump:2.88212 Ang K4.CE and I7.CG2 other bump:2.23703 Ang G1.O and I7.CG1 other bump:2.94089 Ang G1.C and I7.CG1 Number of specific fragments= 1 total=1569 # 1eulA.28.28 read from T0187.t2k.frag # found chain 1eulA in template set T0187 28 :VKRAILQET 1eulA 29 :VKRHLEKYG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.97751 Ang E9.O and T10.CG2 neighbor-bump: 2.68877 Ang E9.C and T10.CG2 neighbor-bump: 1.86217 Ang E9.O and T10.CB neighbor-bump: 2.40767 Ang E9.C and T10.CB Number of specific fragments= 1 total=1570 # 1kbhB.28.28 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 28 :VKRAILQET 1kbhB 76 :VLNILKSNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1571 # 1g1eB.28.30 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 28 :VKRAILQET 1g1eB 325 :YKAFLEILH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1572 # 1g1eB.28.29 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 28 :VKRAILQET 1g1eB 324 :IYKAFLEIL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1573 # 1jf3A.28.29 read from T0187.t2k.frag # adding 1jf3A to template set 1jf3A:# found chain 1jf3A in template set T0187 28 :VKRAILQET 1jf3A 30 :CLSKFISAH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09347 Ang I6.O and T10.OG1 other bump:2.27301 Ang R4.NH1 and Q8.OE1 Number of specific fragments= 1 total=1574 # 1ii2A.28.29 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 28 :VKRAILQET 1ii2A 31 :GALAVMSYA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31598 Ang E9.CA and E9.CB neighbor-bump: 2.62 Ang I6.CG2 and L7.N Number of specific fragments= 1 total=1575 # 1eulA.29.29 read from T0187.t2k.frag # found chain 1eulA in template set T0187 29 :KRAILQETP 1eulA 30 :KRHLEKYGH Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.6184 Ang T9.OG1 and P10.CD self-bump: 1.26255 Ang P10.N and P10.CD neighbor-bump: 1.89831 Ang T9.CA and P10.CD neighbor-bump: 2.66462 Ang T9.CB and P10.CD neighbor-bump: 1.43906 Ang T9.C and P10.CD self-bump: 2.10968 Ang P10.N and P10.CG neighbor-bump: 2.52701 Ang T9.C and P10.CG self-bump: 2.15561 Ang P10.N and P10.CB neighbor-bump: 1.97749 Ang E8.O and T9.CG2 neighbor-bump: 2.68874 Ang E8.C and T9.CG2 neighbor-bump: 1.86215 Ang E8.O and T9.CB neighbor-bump: 2.40764 Ang E8.C and T9.CB Number of specific fragments= 1 total=1576 # 1ii2A.29.30 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 29 :KRAILQETP 1ii2A 32 :ALAVMSYAK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.31598 Ang E8.CA and E8.CB neighbor-bump: 2.62 Ang I5.CG2 and L6.N Number of specific fragments= 1 total=1577 # 1jf3A.29.30 read from T0187.t2k.frag # found chain 1jf3A in template set T0187 29 :KRAILQETP 1jf3A 31 :LSKFISAHP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09347 Ang I5.O and T9.OG1 other bump:2.27301 Ang R3.NH1 and Q7.OE1 Number of specific fragments= 1 total=1578 # 1kbhB.29.29 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 29 :KRAILQETP 1kbhB 77 :LNILKSNPQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1579 # 1g1eB.29.30 read from T0187.t2k.frag # found chain 1g1eB in template set T0187 29 :KRAILQETP 1g1eB 325 :YKAFLEILH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.39828 Ang L6.O and P10.CD other bump:2.612 Ang L6.C and P10.CD other bump:3.17439 Ang Q7.C and P10.CD other bump:1.82079 Ang L6.O and P10.CG other bump:2.80493 Ang L6.C and P10.CG Number of specific fragments= 1 total=1580 # 1cg5A.29.31 read from T0187.t2k.frag # adding 1cg5A to template set 1cg5A:# found chain 1cg5A in template set T0187 29 :KRAILQETP 1cg5A 32 :LFELHPQTK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1581 # 1eulA.30.30 read from T0187.t2k.frag # found chain 1eulA in template set T0187 30 :RAILQETPK 1eulA 31 :RHLEKYGHN Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.13105 Ang P9.CA and P9.CD self-bump: 2.04049 Ang P9.CA and P9.CG neighbor-bump: 1.97749 Ang E7.O and T8.CG2 neighbor-bump: 2.68874 Ang E7.C and T8.CG2 neighbor-bump: 1.86215 Ang E7.O and T8.CB neighbor-bump: 2.40764 Ang E7.C and T8.CB Number of specific fragments= 1 total=1582 # 1ii2A.30.31 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 30 :RAILQETPK 1ii2A 33 :LAVMSYAKT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43029 Ang E7.O and K10.CD self-bump: 1.31598 Ang E7.CA and E7.CB neighbor-bump: 2.62 Ang I4.CG2 and L5.N Number of specific fragments= 1 total=1583 # 1jf3A.30.31 read from T0187.t2k.frag # found chain 1jf3A in template set T0187 30 :RAILQETPK 1jf3A 32 :SKFISAHPE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.09347 Ang I4.O and T8.OG1 other bump:2.27301 Ang R2.NH1 and Q6.OE1 Number of specific fragments= 1 total=1584 # 1cg5A.30.32 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 30 :RAILQETPK 1cg5A 33 :FELHPQTKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1585 # 2kinB.30.31 read from T0187.t2k.frag # found chain 2kinB in template set T0187 30 :RAILQETPK 2kinB 283 :KMTRILQDS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.70932 Ang T8.OG1 and P9.CD other bump:1.93948 Ang A3.C and E7.OE1 other bump:1.05595 Ang A3.O and E7.OE1 other bump:3.02676 Ang A3.C and E7.CD other bump:2.12165 Ang A3.O and E7.CD Number of specific fragments= 1 total=1586 # 1kbhB.30.30 read from T0187.t2k.frag # found chain 1kbhB in template set T0187 30 :RAILQETPK 1kbhB 78 :NILKSNPQL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1587 # 1eulA.31.31 read from T0187.t2k.frag # found chain 1eulA in template set T0187 31 :AILQETPKH 1eulA 32 :HLEKYGHNE Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.13105 Ang P8.CA and P8.CD self-bump: 2.04049 Ang P8.CA and P8.CG neighbor-bump: 1.97749 Ang E6.O and T7.CG2 neighbor-bump: 2.68874 Ang E6.C and T7.CG2 neighbor-bump: 1.86215 Ang E6.O and T7.CB neighbor-bump: 2.40764 Ang E6.C and T7.CB Number of specific fragments= 1 total=1588 # 1ii2A.31.32 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 31 :AILQETPKH 1ii2A 34 :AVMSYAKTG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H10.ND1 and G11.N self-bump: 1.31598 Ang E6.CA and E6.CB neighbor-bump: 2.62 Ang I3.CG2 and L4.N Number of specific fragments= 1 total=1589 # 1f3lA.31.34 read from T0187.t2k.frag # adding 1f3lA to template set 1f3lA:# found chain 1f3lA in template set T0187 31 :AILQETPKH 1f3lA 242 :DFIYQNPHI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1590 # 1jf3A.31.32 read from T0187.t2k.frag # found chain 1jf3A in template set T0187 31 :AILQETPKH 1jf3A 33 :KFISAHPEM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01352 Ang T7.CB and H10.CD2 other bump:2.09347 Ang I3.O and T7.OG1 Number of specific fragments= 1 total=1591 # 1cg5A.31.33 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 31 :AILQETPKH 1cg5A 34 :ELHPQTKTY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1592 # 1gcvA.31.32 read from T0187.t2k.frag # adding 1gcvA to template set 1gcvA:# found chain 1gcvA in template set T0187 31 :AILQETPKH 1gcvA 33 :FVTHPGSKS Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.34139 Ang T7.N and P8.CD other bump:2.83344 Ang E6.C and P8.CD self-bump: 1.35326 Ang P8.N and P8.CD other bump:1.96496 Ang Q5.O and P8.CD other bump:2.78633 Ang Q5.C and P8.CD self-bump: 2.21601 Ang P8.N and P8.CG other bump:3.13698 Ang Q5.CB and P8.CG other bump:2.20356 Ang Q5.O and P8.CG other bump:3.20976 Ang Q5.C and P8.CG other bump:2.35523 Ang I3.O and E6.OE2 Number of specific fragments= 1 total=1593 # 1ii2A.32.33 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 32 :ILQETPKHL 1ii2A 35 :VMSYAKTGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H9.ND1 and L10.N self-bump: 1.31598 Ang E5.CA and E5.CB neighbor-bump: 2.545 Ang I2.CG2 and L3.N Number of specific fragments= 1 total=1594 # 1f3lA.32.35 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 32 :ILQETPKHL 1f3lA 243 :FIYQNPHIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1595 # 1eulA.32.32 read from T0187.t2k.frag # found chain 1eulA in template set T0187 32 :ILQETPKHL 1eulA 33 :LEKYGHNEL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36178 Ang P7.CG and H9.CE1 other bump:2.50267 Ang P7.CG and H9.ND1 other bump:2.75326 Ang P7.CD and H9.ND1 other bump:2.77925 Ang P7.CA and H9.ND1 other bump:2.49174 Ang P7.O and H9.ND1 other bump:2.66267 Ang P7.C and H9.ND1 self-bump: 2.13105 Ang P7.CA and P7.CD self-bump: 2.04049 Ang P7.CA and P7.CG neighbor-bump: 1.97749 Ang E5.O and T6.CG2 neighbor-bump: 2.68874 Ang E5.C and T6.CG2 neighbor-bump: 1.86215 Ang E5.O and T6.CB neighbor-bump: 2.40764 Ang E5.C and T6.CB Number of specific fragments= 1 total=1596 # 1cg5A.32.34 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 32 :ILQETPKHL 1cg5A 35 :LHPQTKTYF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1597 # 1fnnA.32.33 read from T0187.t2k.frag # adding 1fnnA to template set 1fnnA:# found chain 1fnnA in template set T0187 32 :ILQETPKHL 1fnnA 33 :GNWLRNPGH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.61447 Ang T6.CB and P7.CD neighbor-bump: 2.88236 Ang T6.CG2 and P7.CD neighbor-bump: 1.921 Ang T6.C and P7.CD neighbor-bump: 2.40003 Ang T6.O and P7.CG neighbor-bump: 2.44363 Ang T6.C and P7.CG Number of specific fragments= 1 total=1598 # 1gcvA.32.33 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 32 :ILQETPKHL 1gcvA 34 :VTHPGSKSY Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35326 Ang P7.N and P7.CD neighbor-bump: 2.34139 Ang T6.N and P7.CD other bump:2.83344 Ang E5.C and P7.CD other bump:1.96496 Ang Q4.O and P7.CD other bump:2.78633 Ang Q4.C and P7.CD self-bump: 2.21601 Ang P7.N and P7.CG other bump:3.13699 Ang Q4.CB and P7.CG other bump:2.20356 Ang Q4.O and P7.CG other bump:3.20976 Ang Q4.C and P7.CG other bump:2.35523 Ang I2.O and E5.OE2 Number of specific fragments= 1 total=1599 # 1ii2A.33.34 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 33 :LQETPKHLS 1ii2A 36 :MSYAKTGRS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H8.ND1 and L9.N self-bump: 1.31598 Ang E4.CA and E4.CB Number of specific fragments= 1 total=1600 # 1f3lA.33.36 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 33 :LQETPKHLS 1f3lA 244 :IYQNPHIFK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1601 # 1fnnA.33.34 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 33 :LQETPKHLS 1fnnA 34 :NWLRNPGHH Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.61447 Ang T5.CB and P6.CD neighbor-bump: 2.88236 Ang T5.CG2 and P6.CD neighbor-bump: 1.921 Ang T5.C and P6.CD neighbor-bump: 2.40003 Ang T5.O and P6.CG neighbor-bump: 2.44363 Ang T5.C and P6.CG Number of specific fragments= 1 total=1602 # 1cg5A.33.35 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 33 :LQETPKHLS 1cg5A 36 :HPQTKTYFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1603 # 1gcvA.33.34 read from T0187.t2k.frag # found chain 1gcvA in template set T0187 33 :LQETPKHLS 1gcvA 35 :THPGSKSYF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35326 Ang P6.N and P6.CD neighbor-bump: 2.34139 Ang T5.N and P6.CD other bump:2.83344 Ang E4.C and P6.CD other bump:1.96496 Ang Q3.O and P6.CD other bump:2.78633 Ang Q3.C and P6.CD self-bump: 2.21601 Ang P6.N and P6.CG other bump:3.13698 Ang Q3.CB and P6.CG other bump:2.20356 Ang Q3.O and P6.CG other bump:3.20976 Ang Q3.C and P6.CG other bump:2.35523 Ang G1.O and E4.OE2 Number of specific fragments= 1 total=1604 # 1eulA.33.33 read from T0187.t2k.frag # found chain 1eulA in template set T0187 33 :LQETPKHLS 1eulA 34 :EKYGHNELP Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.36178 Ang P6.CG and H8.CE1 other bump:2.77925 Ang P6.CA and H8.ND1 other bump:2.50267 Ang P6.CG and H8.ND1 other bump:2.75326 Ang P6.CD and H8.ND1 other bump:2.49174 Ang P6.O and H8.ND1 other bump:2.66267 Ang P6.C and H8.ND1 self-bump: 2.13105 Ang P6.CA and P6.CD self-bump: 2.04049 Ang P6.CA and P6.CG neighbor-bump: 1.97749 Ang E4.O and T5.CG2 neighbor-bump: 2.68874 Ang E4.C and T5.CG2 neighbor-bump: 1.86215 Ang E4.O and T5.CB neighbor-bump: 2.40764 Ang E4.C and T5.CB Number of specific fragments= 1 total=1605 # 1f3lA.34.37 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 34 :QETPKHLSN 1f3lA 245 :YQNPHIFKD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1606 # 1ii2A.34.35 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 34 :QETPKHLSN 1ii2A 37 :SYAKTGRSP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H7.ND1 and L8.N self-bump: 1.31598 Ang E3.CA and E3.CB Number of specific fragments= 1 total=1607 # 1fnnA.34.35 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 34 :QETPKHLSN 1fnnA 35 :WLRNPGHHY Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.61446 Ang T4.CB and P5.CD neighbor-bump: 2.88235 Ang T4.CG2 and P5.CD neighbor-bump: 1.921 Ang T4.C and P5.CD neighbor-bump: 2.40003 Ang T4.O and P5.CG neighbor-bump: 2.44363 Ang T4.C and P5.CG Number of specific fragments= 1 total=1608 # 1cg5A.34.36 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 34 :QETPKHLSN 1cg5A 37 :PQTKTYFSK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1609 # 1bp3A.34.35 read from T0187.t2k.frag # found chain 1bp3A in template set T0187 34 :QETPKHLSN 1bp3A 36 :IPKEQKYSF Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21131 Ang H7.CB and H7.C other bump:1.44045 Ang E3.O and H7.NE2 other bump:2.61279 Ang E3.C and H7.NE2 other bump:2.1822 Ang E3.O and H7.CE1 other bump:2.47354 Ang T4.O and H7.CD2 other bump:2.25573 Ang E3.O and H7.CD2 other bump:2.91387 Ang E3.C and H7.CD2 other bump:2.90593 Ang T4.CA and H7.CD2 other bump:3.12877 Ang T4.C and H7.CD2 self-bump: 1.27868 Ang H7.CA and H7.CB Number of specific fragments= 1 total=1610 # 1f3lA.34.36 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 34 :QETPKHLSN 1f3lA 244 :IYQNPHIFK Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11686 Ang P5.CB and H7.CE1 other bump:2.4058 Ang E3.O and K6.CD neighbor-bump: 2.09893 Ang T4.C and P5.CD other bump:2.01704 Ang G1.O and P5.CD other bump:3.19956 Ang G1.C and P5.CD neighbor-bump: 2.50657 Ang T4.C and P5.CG self-bump: 1.38935 Ang P5.CA and P5.CB Number of specific fragments= 1 total=1611 # 1f3lA.35.38 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 35 :ETPKHLSNV 1f3lA 246 :QNPHIFKDK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03714 Ang L7.CA and V10.CG1 other bump:2.12842 Ang L7.O and V10.CG1 other bump:2.87522 Ang L7.C and V10.CG1 Number of specific fragments= 1 total=1612 # 1ii2A.35.36 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 35 :ETPKHLSNV 1ii2A 38 :YAKTGRSPL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H6.ND1 and L7.N self-bump: 1.31598 Ang E2.CA and E2.CB Number of specific fragments= 1 total=1613 # 1fnnA.35.36 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 35 :ETPKHLSNV 1fnnA 36 :LRNPGHHYP Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.921 Ang T3.C and P4.CD neighbor-bump: 2.61446 Ang T3.CB and P4.CD neighbor-bump: 2.88235 Ang T3.CG2 and P4.CD neighbor-bump: 2.44363 Ang T3.C and P4.CG neighbor-bump: 2.40003 Ang T3.O and P4.CG Number of specific fragments= 1 total=1614 # 1cg5A.35.37 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 35 :ETPKHLSNV 1cg5A 38 :QTKTYFSKF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1615 # 1f3lA.35.37 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 35 :ETPKHLSNV 1f3lA 245 :YQNPHIFKD Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.97061 Ang N9.OD1 and V10.CG2 neighbor-bump: 2.64936 Ang N9.C and V10.CB other bump:3.11687 Ang P4.CB and H6.CE1 other bump:2.4058 Ang E2.O and K5.CD neighbor-bump: 2.09893 Ang T3.C and P4.CD neighbor-bump: 2.50658 Ang T3.C and P4.CG self-bump: 1.38935 Ang P4.CA and P4.CB Number of specific fragments= 1 total=1616 # 1bp3A.35.36 read from T0187.t2k.frag # found chain 1bp3A in template set T0187 35 :ETPKHLSNV 1bp3A 37 :PKEQKYSFL Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.21131 Ang H6.CB and H6.C other bump:1.44045 Ang E2.O and H6.NE2 other bump:2.61279 Ang E2.C and H6.NE2 other bump:2.1822 Ang E2.O and H6.CE1 other bump:2.90593 Ang T3.CA and H6.CD2 other bump:2.47354 Ang T3.O and H6.CD2 other bump:3.12877 Ang T3.C and H6.CD2 other bump:2.25573 Ang E2.O and H6.CD2 other bump:2.91387 Ang E2.C and H6.CD2 self-bump: 1.27868 Ang H6.CA and H6.CB Number of specific fragments= 1 total=1617 # 1f3lA.36.39 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 36 :TPKHLSNVE 1f3lA 247 :NPHIFKDKV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12842 Ang L6.O and V9.CG1 other bump:2.87522 Ang L6.C and V9.CG1 other bump:3.03714 Ang L6.CA and V9.CG1 Number of specific fragments= 1 total=1618 # 1fnnA.36.37 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 36 :TPKHLSNVE 1fnnA 37 :RNPGHHYPR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.92101 Ang T2.C and P3.CD neighbor-bump: 2.73552 Ang T2.CB and P3.CD neighbor-bump: 1.89448 Ang T2.OG1 and P3.CD neighbor-bump: 2.44363 Ang T2.C and P3.CG neighbor-bump: 2.40003 Ang T2.O and P3.CG Number of specific fragments= 1 total=1619 # 1ii2A.36.37 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 36 :TPKHLSNVE 1ii2A 39 :AKTGRSPLD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H5.ND1 and L6.N Number of specific fragments= 1 total=1620 # 1cg5A.36.38 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 36 :TPKHLSNVE 1cg5A 39 :TKTYFSKFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1621 # 1igs.36.37 read from T0187.t2k.frag # adding 1igs to template set 1igs:# found chain 1igs in template set T0187 36 :TPKHLSNVE 1igs 38 :LEFNKRNIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1622 # 1juk.36.37 read from T0187.t2k.frag # adding 1juk to template set 1juk:# found chain 1juk in template set T0187 36 :TPKHLSNVE 1juk 38 :LEFNKRNIT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58798 Ang G1.O and H5.CD2 Number of specific fragments= 1 total=1623 # 1f3lA.37.40 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 37 :PKHLSNVEI 1f3lA 248 :PHIFKDKVV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12842 Ang L5.O and V8.CG1 other bump:3.03714 Ang L5.CA and V8.CG1 other bump:2.87522 Ang L5.C and V8.CG1 Number of specific fragments= 1 total=1624 # 1fnnA.37.38 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 37 :PKHLSNVEI 1fnnA 38 :NPGHHYPRA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.921 Ang G1.C and P2.CD neighbor-bump: 2.40003 Ang G1.O and P2.CG neighbor-bump: 2.44363 Ang G1.C and P2.CG Number of specific fragments= 1 total=1625 # 1ii2A.37.38 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 37 :PKHLSNVEI 1ii2A 40 :KTGRSPLDK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H4.ND1 and L5.N Number of specific fragments= 1 total=1626 # 2kinB.37.38 read from T0187.t2k.frag # found chain 2kinB in template set T0187 37 :PKHLSNVEI 2kinB 290 :DSLDGNCRT Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.976414 Ang K3.O and I10.CD1 other bump:2.83511 Ang K3.CB and I10.CD1 other bump:2.5079 Ang K3.CG and I10.CD1 other bump:2.36541 Ang K3.CA and I10.CD1 other bump:1.68401 Ang K3.C and I10.CD1 other bump:2.78713 Ang H4.N and I10.CD1 other bump:2.60256 Ang K3.CG and I10.CG1 other bump:2.13022 Ang P2.C and S6.OG other bump:2.4439 Ang P2.N and S6.OG other bump:1.29795 Ang P2.CA and S6.OG other bump:2.31429 Ang P2.CB and S6.OG other bump:1.86807 Ang P2.O and S6.CB other bump:2.44941 Ang P2.C and S6.CB other bump:2.40283 Ang P2.CA and S6.CB other bump:3.11849 Ang P2.CB and S6.CB Number of specific fragments= 1 total=1627 # 1fnnA.37.39 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 37 :PKHLSNVEI 1fnnA 39 :PGHHYPRAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1628 # 1igs.37.38 read from T0187.t2k.frag # found chain 1igs in template set T0187 37 :PKHLSNVEI 1igs 39 :EFNKRNITA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21017 Ang K3.CG and I10.CD1 other bump:2.03311 Ang K3.CD and I10.CD1 other bump:1.65055 Ang K3.CB and I10.CD1 other bump:3.3202 Ang K3.CD and I10.CG2 other bump:2.82107 Ang K3.CB and I10.CG1 Number of specific fragments= 1 total=1629 # 1f3lA.38.41 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 38 :KHLSNVEIH 1f3lA 249 :HIFKDKVVL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12842 Ang L4.O and V7.CG1 other bump:2.87522 Ang L4.C and V7.CG1 other bump:3.03714 Ang L4.CA and V7.CG1 Number of specific fragments= 1 total=1630 # 1fnnA.38.39 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 38 :KHLSNVEIH 1fnnA 39 :PGHHYPRAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1631 # 1ii2A.38.39 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 38 :KHLSNVEIH 1ii2A 41 :TGRSPLDKR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.75611 Ang H3.ND1 and L4.N Number of specific fragments= 1 total=1632 # 1fnnA.38.40 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 38 :KHLSNVEIH 1fnnA 40 :GHHYPRATL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.22026 Ang E8.OE1 and H10.NE2 other bump:1.5049 Ang E8.CD and H10.NE2 other bump:1.95772 Ang E8.OE2 and H10.NE2 other bump:0.96062 Ang E8.OE1 and H10.CE1 other bump:2.12121 Ang E8.CD and H10.CE1 other bump:2.10234 Ang E8.OE1 and H10.ND1 other bump:3.08444 Ang E8.CD and H10.ND1 other bump:2.36781 Ang E8.OE1 and H10.CD2 other bump:2.46852 Ang E8.CD and H10.CD2 Number of specific fragments= 1 total=1633 # 1kanA.38.45 read from T0187.t2k.frag # adding 1kanA to template set 1kanA:# found chain 1kanA in template set Number of specific fragments= 0 total=1633 # 2kinB.38.39 read from T0187.t2k.frag # found chain 2kinB in template set T0187 38 :KHLSNVEIH 2kinB 291 :SLDGNCRTT Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.976411 Ang K2.O and I9.CD1 other bump:2.78713 Ang H3.N and I9.CD1 other bump:2.36541 Ang K2.CA and I9.CD1 other bump:2.83511 Ang K2.CB and I9.CD1 other bump:2.5079 Ang K2.CG and I9.CD1 other bump:1.68401 Ang K2.C and I9.CD1 other bump:2.60256 Ang K2.CG and I9.CG1 other bump:2.13022 Ang G1.C and S5.OG other bump:1.86807 Ang G1.O and S5.CB other bump:2.44941 Ang G1.C and S5.CB Number of specific fragments= 1 total=1634 # 1fnnA.39.40 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 39 :HLSNVEIHL 1fnnA 40 :GHHYPRATL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1635 # 1f3lA.39.42 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 39 :HLSNVEIHL 1f3lA 250 :IFKDKVVLD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12842 Ang L3.O and V6.CG1 other bump:3.03714 Ang L3.CA and V6.CG1 other bump:2.87522 Ang L3.C and V6.CG1 Number of specific fragments= 1 total=1636 # 1ii2A.39.40 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 39 :HLSNVEIHL 1ii2A 42 :GRSPLDKRI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1637 # 1ortA.39.41 read from T0187.t2k.frag # adding 1ortA to template set 1ortA:# found chain 1ortA in template set T0187 39 :HLSNVEIHL 1ortA 42 :HLKRKNIAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1638 # 1fnnA.39.41 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 39 :HLSNVEIHL 1fnnA 41 :HHYPRATLL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9999 Ang E7.OE1 and H9.CE1 Number of specific fragments= 1 total=1639 # 1kanA.39.46 read from T0187.t2k.frag # found chain 1kanA in template set Number of specific fragments= 0 total=1639 # 1fnnA.40.41 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 40 :LSNVEIHLI 1fnnA 41 :HHYPRATLL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31567 Ang H8.CD2 and I10.CD1 other bump:2.28705 Ang H8.NE2 and I10.CD1 other bump:2.34869 Ang H8.CD2 and I10.CG1 other bump:2.04487 Ang H8.NE2 and I10.CG1 Number of specific fragments= 1 total=1640 # 1f3lA.40.43 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 40 :LSNVEIHLI 1f3lA 251 :FKDKVVLDV Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62431 Ang H8.CD2 and I10.CG2 other bump:2.4983 Ang H8.NE2 and I10.CG2 other bump:2.87522 Ang L2.C and V5.CG1 other bump:2.12842 Ang L2.O and V5.CG1 other bump:3.03714 Ang L2.CA and V5.CG1 Number of specific fragments= 1 total=1641 # 1ii2A.40.41 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 40 :LSNVEIHLI 1ii2A 43 :RSPLDKRIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1642 # 1ortA.40.42 read from T0187.t2k.frag # found chain 1ortA in template set T0187 40 :LSNVEIHLI 1ortA 43 :LKRKNIALI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70347 Ang H8.CD2 and I10.CD1 other bump:2.5937 Ang H8.NE2 and I10.CD1 other bump:2.57269 Ang H8.CD2 and I10.CG1 other bump:2.05789 Ang H8.NE2 and I10.CG1 Number of specific fragments= 1 total=1643 # 1fnnA.40.42 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 40 :LSNVEIHLI 1fnnA 42 :HYPRATLLG Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73972 Ang L9.C and I10.CG2 neighbor-bump: 1.89387 Ang L9.O and I10.CG2 other bump:1.9999 Ang E6.OE1 and H8.CE1 other bump:2.55922 Ang L2.CD2 and N4.OD1 neighbor-bump: 2.81618 Ang L2.CD2 and S3.C neighbor-bump: 2.8095 Ang L2.CD2 and S3.N Number of specific fragments= 1 total=1644 # 1jajA.40.46 read from T0187.t2k.frag # adding 1jajA to template set 1jajA:# found chain 1jajA in template set T0187 40 :LSNVEIHLI 1jajA 47 :LNDVDLLII Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1645 # 1fnnA.41.42 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 41 :SNVEIHLIG 1fnnA 42 :HYPRATLLG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28704 Ang H7.NE2 and I9.CD1 other bump:2.31567 Ang H7.CD2 and I9.CD1 other bump:2.04487 Ang H7.NE2 and I9.CG1 other bump:2.34869 Ang H7.CD2 and I9.CG1 Number of specific fragments= 1 total=1646 # 1ii2A.41.42 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 41 :SNVEIHLIG 1ii2A 44 :SPLDKRIVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1647 # 1f3lA.41.44 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 41 :SNVEIHLIG 1f3lA 252 :KDKVVLDVG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.52275 Ang I9.CG2 and G10.N other bump:2.7098 Ang H7.CE1 and I9.CD1 other bump:2.14434 Ang H7.NE2 and I9.CD1 other bump:2.74096 Ang H7.CE1 and I9.CG1 other bump:2.51687 Ang H7.NE2 and I9.CG1 self-bump: 1.33775 Ang I9.CA and I9.CB other bump:2.87522 Ang G1.C and V4.CG1 other bump:2.12842 Ang G1.O and V4.CG1 Number of specific fragments= 1 total=1648 # 1ortA.41.43 read from T0187.t2k.frag # found chain 1ortA in template set T0187 41 :SNVEIHLIG 1ortA 44 :KRKNIALIF Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70347 Ang H7.CD2 and I9.CD1 other bump:2.5937 Ang H7.NE2 and I9.CD1 other bump:2.57269 Ang H7.CD2 and I9.CG1 other bump:2.05789 Ang H7.NE2 and I9.CG1 Number of specific fragments= 1 total=1649 # 1jajA.41.47 read from T0187.t2k.frag # found chain 1jajA in template set T0187 41 :SNVEIHLIG 1jajA 48 :NDVDLLIIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1650 # 1fnnA.41.43 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 41 :SNVEIHLIG 1fnnA 43 :YPRATLLGR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.73972 Ang L8.C and I9.CG2 neighbor-bump: 1.89387 Ang L8.O and I9.CG2 other bump:1.9999 Ang E5.OE1 and H7.CE1 Number of specific fragments= 1 total=1651 # 1ii2A.42.43 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 42 :NVEIHLIGN 1ii2A 45 :PLDKRIVDT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.96569 Ang I8.CG1 and N10.ND2 other bump:1.97952 Ang I8.CG2 and N10.ND2 Number of specific fragments= 1 total=1652 # 1fnnA.42.43 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 42 :NVEIHLIGN 1fnnA 43 :YPRATLLGR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31567 Ang H6.CD2 and I8.CD1 other bump:2.28704 Ang H6.NE2 and I8.CD1 other bump:2.34869 Ang H6.CD2 and I8.CG1 other bump:2.04487 Ang H6.NE2 and I8.CG1 Number of specific fragments= 1 total=1653 # 1f3lA.42.45 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 42 :NVEIHLIGN 1f3lA 253 :DKVVLDVGC Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.31566 Ang L7.CB and N10.OD1 other bump:2.2543 Ang L7.CG and N10.OD1 other bump:2.60846 Ang L7.CD2 and N10.OD1 neighbor-bump: 2.52275 Ang I8.CG2 and G9.N other bump:2.7098 Ang H6.CE1 and I8.CD1 other bump:2.14434 Ang H6.NE2 and I8.CD1 other bump:2.74096 Ang H6.CE1 and I8.CG1 other bump:2.51687 Ang H6.NE2 and I8.CG1 self-bump: 1.33775 Ang I8.CA and I8.CB Number of specific fragments= 1 total=1654 # 1ortA.42.44 read from T0187.t2k.frag # found chain 1ortA in template set T0187 42 :NVEIHLIGN 1ortA 45 :RKNIALIFE Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70347 Ang H6.CD2 and I8.CD1 other bump:2.5937 Ang H6.NE2 and I8.CD1 other bump:2.57269 Ang H6.CD2 and I8.CG1 other bump:2.05789 Ang H6.NE2 and I8.CG1 Number of specific fragments= 1 total=1655 # 1khhA.42.44 read from T0187.t2k.frag # adding 1khhA to template set 1khhA:# found chain 1khhA in template set T0187 42 :NVEIHLIGN 1khhA 82 :IKEHWIIEC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1656 # 1jajA.42.48 read from T0187.t2k.frag # found chain 1jajA in template set T0187 42 :NVEIHLIGN 1jajA 49 :DVDLLIIVP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1657 # 1ii2A.43.44 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 43 :VEIHLIGNV 1ii2A 46 :LDKRIVDTD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1658 # 1fnnA.43.44 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 43 :VEIHLIGNV 1fnnA 44 :PRATLLGRP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.28704 Ang H5.NE2 and I7.CD1 other bump:2.31567 Ang H5.CD2 and I7.CD1 other bump:2.04487 Ang H5.NE2 and I7.CG1 other bump:2.34869 Ang H5.CD2 and I7.CG1 Number of specific fragments= 1 total=1659 # 1khhA.43.45 read from T0187.t2k.frag # found chain 1khhA in template set T0187 43 :VEIHLIGNV 1khhA 83 :KEHWIIECN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1660 # 1f3lA.43.46 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 43 :VEIHLIGNV 1f3lA 254 :KVVLDVGCG Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42169 Ang V10.CG1 and G11.N self-bump: 2.47137 Ang V10.CG1 and V10.C self-bump: 1.3143 Ang V10.CA and V10.CB other bump:2.31038 Ang L6.CB and N9.OD1 other bump:1.9536 Ang L6.CG and N9.OD1 other bump:2.42402 Ang L6.CD2 and N9.OD1 other bump:3.08841 Ang L6.CB and N9.CG other bump:2.9411 Ang L6.CG and N9.CG other bump:2.84817 Ang L6.CD2 and N9.CG neighbor-bump: 2.52275 Ang I7.CG2 and G8.N other bump:2.70981 Ang H5.CE1 and I7.CD1 other bump:2.14435 Ang H5.NE2 and I7.CD1 other bump:2.74096 Ang H5.CE1 and I7.CG1 other bump:2.51688 Ang H5.NE2 and I7.CG1 self-bump: 1.33775 Ang I7.CA and I7.CB Number of specific fragments= 1 total=1661 # 1jajA.43.49 read from T0187.t2k.frag # found chain 1jajA in template set T0187 43 :VEIHLIGNV 1jajA 50 :VDLLIIVPE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19568 Ang N9.O and V10.CG2 neighbor-bump: 2.78624 Ang N9.C and V10.CG2 Number of specific fragments= 1 total=1662 # 1ortA.43.45 read from T0187.t2k.frag # found chain 1ortA in template set T0187 43 :VEIHLIGNV 1ortA 46 :KNIALIFEK Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70347 Ang H5.CD2 and I7.CD1 other bump:2.5937 Ang H5.NE2 and I7.CD1 other bump:2.57269 Ang H5.CD2 and I7.CG1 other bump:2.05789 Ang H5.NE2 and I7.CG1 Number of specific fragments= 1 total=1663 # 1ii2A.44.45 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 44 :EIHLIGNVQ 1ii2A 47 :DKRIVDTDD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42764 Ang N8.ND2 and Q10.NE2 other bump:2.88289 Ang N8.CG and Q10.CD other bump:2.4769 Ang N8.OD1 and Q10.CD Number of specific fragments= 1 total=1664 # 1fnnA.44.45 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 44 :EIHLIGNVQ 1fnnA 45 :RATLLGRPG Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.86955 Ang V9.CG1 and Q10.CA neighbor-bump: 1.80991 Ang V9.CG1 and Q10.N neighbor-bump: 2.43466 Ang V9.CB and Q10.N self-bump: 2.32916 Ang V9.CG1 and V9.C self-bump: 2.20697 Ang V9.CB and V9.C self-bump: 1.29959 Ang V9.CA and V9.CB other bump:2.28704 Ang H4.NE2 and I6.CD1 other bump:2.31567 Ang H4.CD2 and I6.CD1 other bump:2.04487 Ang H4.NE2 and I6.CG1 other bump:2.34869 Ang H4.CD2 and I6.CG1 Number of specific fragments= 1 total=1665 # 1khhA.44.46 read from T0187.t2k.frag # found chain 1khhA in template set T0187 44 :EIHLIGNVQ 1khhA 84 :EHWIIECND Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1666 # 1jajA.44.50 read from T0187.t2k.frag # found chain 1jajA in template set T0187 44 :EIHLIGNVQ 1jajA 51 :DLLIIVPEK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19568 Ang N8.O and V9.CG2 neighbor-bump: 2.78624 Ang N8.C and V9.CG2 Number of specific fragments= 1 total=1667 # 1f3lA.44.47 read from T0187.t2k.frag # found chain 1f3lA in template set T0187 44 :EIHLIGNVQ 1f3lA 255 :VVLDVGCGT Fragment has 15 clashes (null) has 15 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.4217 Ang V9.CG1 and Q10.N self-bump: 2.47137 Ang V9.CG1 and V9.C self-bump: 1.3143 Ang V9.CA and V9.CB other bump:2.31038 Ang L5.CB and N8.OD1 other bump:1.9536 Ang L5.CG and N8.OD1 other bump:2.42401 Ang L5.CD2 and N8.OD1 other bump:3.0884 Ang L5.CB and N8.CG other bump:2.9411 Ang L5.CG and N8.CG other bump:2.84817 Ang L5.CD2 and N8.CG neighbor-bump: 2.52275 Ang I6.CG2 and G7.N other bump:2.70974 Ang H4.CE1 and I6.CD1 other bump:2.14436 Ang H4.NE2 and I6.CD1 other bump:2.74092 Ang H4.CE1 and I6.CG1 other bump:2.51689 Ang H4.NE2 and I6.CG1 self-bump: 1.33777 Ang I6.CA and I6.CB Number of specific fragments= 1 total=1668 # 1ortA.44.46 read from T0187.t2k.frag # found chain 1ortA in template set T0187 44 :EIHLIGNVQ 1ortA 47 :NIALIFEKT Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.70347 Ang H4.CD2 and I6.CD1 other bump:2.5937 Ang H4.NE2 and I6.CD1 other bump:2.57269 Ang H4.CD2 and I6.CG1 other bump:2.05789 Ang H4.NE2 and I6.CG1 Number of specific fragments= 1 total=1669 # 1khhA.45.47 read from T0187.t2k.frag # found chain 1khhA in template set T0187 45 :IHLIGNVQK 1khhA 85 :HWIIECNDG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1670 # 1ii2A.45.46 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 45 :IHLIGNVQK 1ii2A 48 :KRIVDTDDV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.42764 Ang N7.ND2 and Q9.NE2 other bump:2.8829 Ang N7.CG and Q9.CD other bump:2.4769 Ang N7.OD1 and Q9.CD Number of specific fragments= 1 total=1671 # 1jajA.45.51 read from T0187.t2k.frag # found chain 1jajA in template set T0187 45 :IHLIGNVQK 1jajA 52 :LLIIVPEKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19568 Ang N7.O and V8.CG2 neighbor-bump: 2.78624 Ang N7.C and V8.CG2 Number of specific fragments= 1 total=1672 # 1fnnA.45.46 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 45 :IHLIGNVQK 1fnnA 46 :ATLLGRPGT Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45458 Ang N7.OD1 and K10.CG neighbor-bump: 2.86955 Ang V8.CG1 and Q9.CA neighbor-bump: 2.43466 Ang V8.CB and Q9.N neighbor-bump: 1.80991 Ang V8.CG1 and Q9.N self-bump: 2.20697 Ang V8.CB and V8.C self-bump: 2.32916 Ang V8.CG1 and V8.C self-bump: 1.29959 Ang V8.CA and V8.CB other bump:2.31567 Ang H3.CD2 and I5.CD1 other bump:2.28704 Ang H3.NE2 and I5.CD1 other bump:2.34869 Ang H3.CD2 and I5.CG1 other bump:2.04487 Ang H3.NE2 and I5.CG1 other bump:2.81242 Ang I2.CD1 and L4.CD2 Number of specific fragments= 1 total=1673 # 2bjxA.45.47 read from T0187.t2k.frag # adding 2bjxA to template set 2bjxA:# found chain 2bjxA in template set T0187 45 :IHLIGNVQK 2bjxA 166 :PFGITSNSD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61185 Ang I2.O and L4.CD1 Number of specific fragments= 1 total=1674 # 1bjx.45.47 read from T0187.t2k.frag # adding 1bjx to template set 1bjx:# found chain 1bjx in template set T0187 45 :IHLIGNVQK 1bjx 166 :PFGITSNSD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61185 Ang I2.O and L4.CD1 Number of specific fragments= 1 total=1675 # 1khhA.46.48 read from T0187.t2k.frag # found chain 1khhA in template set T0187 46 :HLIGNVQKV 1khhA 86 :WIIECNDGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1676 # 2fmr.46.47 read from T0187.t2k.frag # adding 2fmr to template set 2fmr:# found chain 2fmr in template set T0187 46 :HLIGNVQKV 2fmr 48 :HIYGEDQDA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.07797 Ang N6.O and V7.CG1 neighbor-bump: 2.8248 Ang N6.C and V7.CG1 Number of specific fragments= 1 total=1677 # 2bjxA.46.48 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 46 :HLIGNVQKV 2bjxA 167 :FGITSNSDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V7.CG2 and V10.CG2 other bump:2.61185 Ang G1.O and L3.CD1 Number of specific fragments= 1 total=1678 # 1bjx.46.48 read from T0187.t2k.frag # found chain 1bjx in template set T0187 46 :HLIGNVQKV 1bjx 167 :FGITSNSDV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V7.CG2 and V10.CG2 other bump:2.61185 Ang G1.O and L3.CD1 Number of specific fragments= 1 total=1679 # 1ii2A.46.47 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 46 :HLIGNVQKV 1ii2A 49 :RIVDTDDVR Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.06047 Ang N6.C and V10.CG2 other bump:2.43913 Ang N6.O and V10.CG2 other bump:2.42764 Ang N6.ND2 and Q8.NE2 other bump:2.8829 Ang N6.CG and Q8.CD other bump:2.4769 Ang N6.OD1 and Q8.CD Number of specific fragments= 1 total=1680 # 1jajA.46.52 read from T0187.t2k.frag # found chain 1jajA in template set T0187 46 :HLIGNVQKV 1jajA 53 :LIIVPEKKL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.19568 Ang N6.O and V7.CG2 neighbor-bump: 2.78624 Ang N6.C and V7.CG2 Number of specific fragments= 1 total=1681 # 2fmr.47.48 read from T0187.t2k.frag # found chain 2fmr in template set T0187 47 :LIGNVQKVC 2fmr 49 :IYGEDQDAV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.07797 Ang N5.O and V6.CG1 neighbor-bump: 2.8248 Ang N5.C and V6.CG1 Number of specific fragments= 1 total=1682 # 1bjx.47.49 read from T0187.t2k.frag # found chain 1bjx in template set T0187 47 :LIGNVQKVC 1bjx 168 :GITSNSDVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V6.CG2 and V9.CG2 Number of specific fragments= 1 total=1683 # 2bjxA.47.49 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 47 :LIGNVQKVC 2bjxA 168 :GITSNSDVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V6.CG2 and V9.CG2 Number of specific fragments= 1 total=1684 # 1khhA.47.49 read from T0187.t2k.frag # found chain 1khhA in template set T0187 47 :LIGNVQKVC 1khhA 87 :IIECNDGVF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1685 # 1ii2A.47.48 read from T0187.t2k.frag # found chain 1ii2A in training set T0187 47 :LIGNVQKVC 1ii2A 50 :IVDTDDVRE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43913 Ang N5.O and V9.CG2 other bump:3.06048 Ang N5.C and V9.CG2 other bump:2.42764 Ang N5.ND2 and Q7.NE2 other bump:2.8829 Ang N5.CG and Q7.CD other bump:2.4769 Ang N5.OD1 and Q7.CD Number of specific fragments= 1 total=1686 # 1fnnA.47.48 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 47 :LIGNVQKVC 1fnnA 48 :LLGRPGTGK Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.44179 Ang K8.C and V9.CB neighbor-bump: 1.99647 Ang K8.O and V9.CB other bump:1.43296 Ang G4.CA and K8.NZ other bump:2.19367 Ang G4.C and K8.NZ other bump:2.29337 Ang N5.N and K8.NZ other bump:2.84704 Ang G4.CA and K8.CE other bump:2.76712 Ang N5.CG and K8.CD other bump:1.86567 Ang N5.OD1 and K8.CD other bump:2.53317 Ang N5.N and K8.CD other bump:3.2945 Ang N5.CA and K8.CD other bump:2.1943 Ang N5.OD1 and K8.CG neighbor-bump: 2.86955 Ang V6.CG1 and Q7.CA neighbor-bump: 1.80991 Ang V6.CG1 and Q7.N neighbor-bump: 2.43466 Ang V6.CB and Q7.N self-bump: 2.32916 Ang V6.CG1 and V6.C self-bump: 2.20697 Ang V6.CB and V6.C self-bump: 1.29959 Ang V6.CA and V6.CB Number of specific fragments= 1 total=1687 # 2fmr.48.49 read from T0187.t2k.frag # found chain 2fmr in template set T0187 48 :IGNVQKVCD 2fmr 50 :YGEDQDAVK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.07797 Ang N4.O and V5.CG1 neighbor-bump: 2.8248 Ang N4.C and V5.CG1 Number of specific fragments= 1 total=1688 # 2bjxA.48.50 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 48 :IGNVQKVCD 2bjxA 169 :ITSNSDVFS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V5.CG2 and V8.CG2 Number of specific fragments= 1 total=1689 # 1bjx.48.50 read from T0187.t2k.frag # found chain 1bjx in template set T0187 48 :IGNVQKVCD 1bjx 169 :ITSNSDVFS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V5.CG2 and V8.CG2 Number of specific fragments= 1 total=1690 # 1khhA.48.50 read from T0187.t2k.frag # found chain 1khhA in template set T0187 48 :IGNVQKVCD 1khhA 88 :IECNDGVFQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1691 # 1i1kA.48.50 read from T0187.t2k.frag # adding 1i1kA to template set 1i1kA:# found chain 1i1kA in template set T0187 48 :IGNVQKVCD 1i1kA 50 :VFRHREHMQ Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63583 Ang I2.CG1 and V5.CG2 other bump:2.53267 Ang I2.CB and V5.CG2 other bump:1.60133 Ang I2.CG2 and V5.CG2 other bump:3.02515 Ang I2.CD1 and V5.CG2 Number of specific fragments= 1 total=1692 # 1fnnA.48.49 read from T0187.t2k.frag # found chain 1fnnA in template set T0187 48 :IGNVQKVCD 1fnnA 49 :LGRPGTGKT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.99647 Ang K7.O and V8.CB neighbor-bump: 2.44179 Ang K7.C and V8.CB other bump:1.43296 Ang G3.CA and K7.NZ other bump:2.19367 Ang G3.C and K7.NZ other bump:2.29337 Ang N4.N and K7.NZ other bump:2.84704 Ang G3.CA and K7.CE other bump:2.76712 Ang N4.CG and K7.CD other bump:1.86567 Ang N4.OD1 and K7.CD other bump:2.53317 Ang N4.N and K7.CD other bump:3.2945 Ang N4.CA and K7.CD other bump:2.1943 Ang N4.OD1 and K7.CG neighbor-bump: 2.86955 Ang V5.CG1 and Q6.CA neighbor-bump: 1.80991 Ang V5.CG1 and Q6.N neighbor-bump: 2.43466 Ang V5.CB and Q6.N self-bump: 2.32916 Ang V5.CG1 and V5.C self-bump: 2.20697 Ang V5.CB and V5.C self-bump: 1.29959 Ang V5.CA and V5.CB Number of specific fragments= 1 total=1693 # 2fmr.49.50 read from T0187.t2k.frag # found chain 2fmr in template set T0187 49 :GNVQKVCDE 2fmr 51 :GEDQDAVKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.07797 Ang N3.O and V4.CG1 neighbor-bump: 2.8248 Ang N3.C and V4.CG1 Number of specific fragments= 1 total=1694 # 1bjx.49.51 read from T0187.t2k.frag # found chain 1bjx in template set T0187 49 :GNVQKVCDE 1bjx 170 :TSNSDVFSK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V4.CG2 and V7.CG2 Number of specific fragments= 1 total=1695 # 2bjxA.49.51 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 49 :GNVQKVCDE 2bjxA 170 :TSNSDVFSK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V4.CG2 and V7.CG2 Number of specific fragments= 1 total=1696 # 1khhA.49.51 read from T0187.t2k.frag # found chain 1khhA in template set T0187 49 :GNVQKVCDE 1khhA 89 :ECNDGVFQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1697 # 1i1kA.49.51 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 49 :GNVQKVCDE 1i1kA 51 :FRHREHMQR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1698 # 1ja9A.49.52 read from T0187.t2k.frag # adding 1ja9A to template set 1ja9A:# found chain 1ja9A in template set T0187 49 :GNVQKVCDE 1ja9A 61 :GSSSKAAEE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80747 Ang V4.CG1 and V7.CG2 Number of specific fragments= 1 total=1699 # 2fmr.50.51 read from T0187.t2k.frag # found chain 2fmr in template set T0187 50 :NVQKVCDEA 2fmr 52 :EDQDAVKKA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.07797 Ang N2.O and V3.CG1 neighbor-bump: 2.8248 Ang N2.C and V3.CG1 Number of specific fragments= 1 total=1700 # 1bjx.50.52 read from T0187.t2k.frag # found chain 1bjx in template set T0187 50 :NVQKVCDEA 1bjx 171 :SNSDVFSKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V3.CG2 and V6.CG2 Number of specific fragments= 1 total=1701 # 2bjxA.50.52 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 50 :NVQKVCDEA 2bjxA 171 :SNSDVFSKY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.47871 Ang V3.CG2 and V6.CG2 Number of specific fragments= 1 total=1702 # 1khhA.50.52 read from T0187.t2k.frag # found chain 1khhA in template set T0187 50 :NVQKVCDEA 1khhA 90 :CNDGVFQRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1703 # 1i1kA.50.52 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 50 :NVQKVCDEA 1i1kA 52 :RHREHMQRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1704 # 1ja9A.50.53 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 50 :NVQKVCDEA 1ja9A 62 :SSSKAAEEV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.80747 Ang V3.CG1 and V6.CG2 Number of specific fragments= 1 total=1705 # 2fmr.51.52 read from T0187.t2k.frag # found chain 2fmr in template set T0187 51 :VQKVCDEAK 2fmr 53 :DQDAVKKAR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.55453 Ang G1.O and V2.CG2 Number of specific fragments= 1 total=1706 # 1bjx.51.53 read from T0187.t2k.frag # found chain 1bjx in template set T0187 51 :VQKVCDEAK 1bjx 172 :NSDVFSKYQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40297 Ang V2.CG2 and V5.CG2 other bump:2.82172 Ang V2.CG2 and V5.CB Number of specific fragments= 1 total=1707 # 2bjxA.51.53 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 51 :VQKVCDEAK 2bjxA 172 :NSDVFSKYQ Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40297 Ang V2.CG2 and V5.CG2 other bump:2.82172 Ang V2.CG2 and V5.CB Number of specific fragments= 1 total=1708 # 1ja9A.51.54 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 51 :VQKVCDEAK 1ja9A 63 :SSKAAEEVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1709 # 1i1kA.51.53 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 51 :VQKVCDEAK 1i1kA 53 :HREHMQRLH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1710 # 1khhA.51.53 read from T0187.t2k.frag # found chain 1khhA in template set T0187 51 :VQKVCDEAK 1khhA 91 :NDGVFQRLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1711 # 2fmr.52.53 read from T0187.t2k.frag # found chain 2fmr in template set T0187 52 :QKVCDEAKS 2fmr 54 :QDAVKKARS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1712 # 1i1kA.52.54 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 52 :QKVCDEAKS 1i1kA 54 :REHMQRLHD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1713 # 1ja9A.52.55 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 52 :QKVCDEAKS 1ja9A 64 :SKAAEEVVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1714 # 1a3gA.52.53 read from T0187.t2k.frag # adding 1a3gA to template set 1a3gA:# found chain 1a3gA in template set T0187 52 :QKVCDEAKS 1a3gA 54 :REHMQRLHD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1715 # 1jkgA.52.54 read from T0187.t2k.frag # adding 1jkgA to template set 1jkgA:# found chain 1jkgA in template set T0187 52 :QKVCDEAKS 1jkgA 55 :QESLSEFFE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03987 Ang C5.SG and K9.NZ Number of specific fragments= 1 total=1716 # 1khhA.52.54 read from T0187.t2k.frag # found chain 1khhA in template set T0187 52 :QKVCDEAKS 1khhA 92 :DGVFQRLQN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1717 # 2fmr.53.54 read from T0187.t2k.frag # found chain 2fmr in template set T0187 53 :KVCDEAKSL 2fmr 55 :DAVKKARSF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1718 # 1ja9A.53.56 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 53 :KVCDEAKSL 1ja9A 65 :KAAEEVVAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1719 # 1i1kA.53.55 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 53 :KVCDEAKSL 1i1kA 55 :EHMQRLHDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1720 # 1a3gA.53.54 read from T0187.t2k.frag # found chain 1a3gA in template set T0187 53 :KVCDEAKSL 1a3gA 55 :EHMQRLHDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1721 # 1jkgA.53.55 read from T0187.t2k.frag # found chain 1jkgA in template set T0187 53 :KVCDEAKSL 1jkgA 56 :ESLSEFFEM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03986 Ang C4.SG and K8.NZ Number of specific fragments= 1 total=1722 # 1pytA.53.53 read from T0187.t2k.frag # adding 1pytA to template set 1pytA:# found chain 1pytA in template set T0187 53 :KVCDEAKSL 1pytA 59 :PSLQAVKVF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8942 Ang G1.C and C4.SG Number of specific fragments= 1 total=1723 # 2fmr.54.55 read from T0187.t2k.frag # found chain 2fmr in template set T0187 54 :VCDEAKSLA 2fmr 56 :AVKKARSFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1724 # 1ja9A.54.57 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 54 :VCDEAKSLA 1ja9A 66 :AAEEVVAEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1725 # 1i1kA.54.56 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 54 :VCDEAKSLA 1i1kA 56 :HMQRLHDSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1726 # 1jkgA.54.56 read from T0187.t2k.frag # found chain 1jkgA in template set T0187 54 :VCDEAKSLA 1jkgA 57 :SLSEFFEML Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03987 Ang C3.SG and K7.NZ Number of specific fragments= 1 total=1727 # 1a3gA.54.55 read from T0187.t2k.frag # found chain 1a3gA in template set T0187 54 :VCDEAKSLA 1a3gA 56 :HMQRLHDSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1728 # 1pytA.54.54 read from T0187.t2k.frag # found chain 1pytA in template set T0187 54 :VCDEAKSLA 1pytA 60 :SLQAVKVFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1729 # 1ja9A.55.58 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 55 :CDEAKSLAK 1ja9A 67 :AEEVVAELK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1730 # 2fmr.55.56 read from T0187.t2k.frag # found chain 2fmr in template set T0187 55 :CDEAKSLA 2fmr 57 :VKKARSFL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 10 residues Number of specific fragments= 1 total=1731 # 1i1kA.55.57 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 55 :CDEAKSLAK 1i1kA 57 :MQRLHDSAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1732 # 1pytA.55.55 read from T0187.t2k.frag # found chain 1pytA in template set T0187 55 :CDEAKSLAK 1pytA 61 :LQAVKVFLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1733 # 1jkgA.55.57 read from T0187.t2k.frag # found chain 1jkgA in template set T0187 55 :CDEAKSLAK 1jkgA 58 :LSEFFEMLP Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03987 Ang C2.SG and K6.NZ Number of specific fragments= 1 total=1734 # 1a3gA.55.56 read from T0187.t2k.frag # found chain 1a3gA in template set T0187 55 :CDEAKSLAK 1a3gA 57 :MQRLHDSAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1735 # 1ja9A.56.59 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 56 :DEAKSLAKE 1ja9A 68 :EEVVAELKK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1736 # 1pytA.56.56 read from T0187.t2k.frag # found chain 1pytA in template set T0187 56 :DEAKSLAKE 1pytA 62 :QAVKVFLEA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43255 Ang S6.O and E10.CG Number of specific fragments= 1 total=1737 # 1e4iA.56.60 read from T0187.t2k.frag # adding 1e4iA to template set 1e4iA:# found chain 1e4iA in template set T0187 56 :DEAKSLAKE 1e4iA 62 :EEDIRLMKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1738 # 1i1kA.56.58 read from T0187.t2k.frag # found chain 1i1kA in template set T0187 56 :DEAKSLAKE 1i1kA 58 :QRLHDSAKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1739 # 1j5rA.56.58 read from T0187.t2k.frag # adding 1j5rA to template set 1j5rA:# found chain 1j5rA in template set T0187 56 :DEAKSLAKE 1j5rA 47 :DDLKKLLDE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1740 # 1aye.56.56 read from T0187.t2k.frag # adding 1aye to template set 1aye:WARNING: atom 767 has residue number 1 < previous residue 99A # found chain 1aye in template set T0187 56 :DEAKSLAKE 1aye 62A:QAVKVFLES Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.35472 Ang S6.O and E10.CG Number of specific fragments= 1 total=1741 # 1ja9A.57.60 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 57 :EAKSLAKEK 1ja9A 69 :EVVAELKKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1742 # 1pytA.57.57 read from T0187.t2k.frag # found chain 1pytA in template set T0187 57 :EAKSLAKEK 1pytA 63 :AVKVFLEAH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94238 Ang L6.CD1 and K10.NZ Number of specific fragments= 1 total=1743 # 1e4iA.57.61 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 57 :EAKSLAKEK 1e4iA 63 :EDIRLMKEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1744 # 1j5rA.57.59 read from T0187.t2k.frag # found chain 1j5rA in template set T0187 57 :EAKSLAKEK 1j5rA 48 :DLKKLLDET Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1745 # 1aye.57.57 read from T0187.t2k.frag # found chain 1aye in template set T0187 57 :EAKSLAKEK 1aye 63A:AVKVFLESQ Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52304 Ang S5.CB and E9.OE2 other bump:2.62216 Ang S5.CA and E9.OE2 other bump:2.04316 Ang S5.O and E9.OE2 other bump:2.43834 Ang S5.C and E9.OE2 other bump:2.73802 Ang S5.CA and E9.OE1 other bump:0.46387 Ang S5.O and E9.OE1 other bump:1.4102 Ang S5.C and E9.OE1 other bump:2.19393 Ang L6.N and E9.OE1 other bump:2.50736 Ang L6.CA and E9.OE1 other bump:2.74721 Ang L6.C and E9.OE1 other bump:3.04223 Ang S5.CA and E9.CD other bump:1.32315 Ang S5.O and E9.CD other bump:2.16976 Ang S5.C and E9.CD Number of specific fragments= 1 total=1746 # 1qoxN.57.61 read from T0187.t2k.frag # adding 1qoxN to template set 1qoxN:# found chain 1qoxN in template set T0187 57 :EAKSLAKEK 1qoxN 63 :EDVQLLKDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1747 # 1ja9A.58.61 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 58 :AKSLAKEKG 1ja9A 70 :VVAELKKLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1748 # 1e4iA.58.62 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 58 :AKSLAKEKG 1e4iA 64 :DIRLMKELG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1749 # 1qoxN.58.62 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 58 :AKSLAKEKG 1qoxN 64 :DVQLLKDLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1750 # 1pytA.58.58 read from T0187.t2k.frag # found chain 1pytA in template set T0187 58 :AKSLAKEKG 1pytA 64 :VKVFLEAHG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94238 Ang L5.CD1 and K9.NZ Number of specific fragments= 1 total=1751 # 1tr1A.58.62 read from T0187.t2k.frag # adding 1tr1A to template set 1tr1A:Skipped atom 771, because occupancy 0.25 <= existing 0.750001 Skipped atom 773, because occupancy 0.25 <= existing 0.750001 Skipped atom 775, because occupancy 0.25 <= existing 0.750001 Skipped atom 777, because occupancy 0.25 <= existing 0.750001 # found chain 1tr1A in template set T0187 58 :AKSLAKEKG 1tr1A 64 :DIRLMKELG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1752 # 1aye.58.58 read from T0187.t2k.frag # found chain 1aye in template set T0187 58 :AKSLAKEKG 1aye 64A:VKVFLESQG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62216 Ang S4.CA and E8.OE2 other bump:2.52304 Ang S4.CB and E8.OE2 other bump:2.04316 Ang S4.O and E8.OE2 other bump:2.43834 Ang S4.C and E8.OE2 other bump:2.73802 Ang S4.CA and E8.OE1 other bump:0.46387 Ang S4.O and E8.OE1 other bump:1.4102 Ang S4.C and E8.OE1 other bump:2.19393 Ang L5.N and E8.OE1 other bump:2.50736 Ang L5.CA and E8.OE1 other bump:2.74721 Ang L5.C and E8.OE1 other bump:3.04223 Ang S4.CA and E8.CD other bump:1.32315 Ang S4.O and E8.CD other bump:2.16976 Ang S4.C and E8.CD Number of specific fragments= 1 total=1753 # 1qoxN.59.63 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 59 :KSLAKEKGF 1qoxN 65 :VQLLKDLGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1754 # 1e4iA.59.63 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 59 :KSLAKEKGF 1e4iA 65 :IRLMKELGI Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.68243 Ang K8.CD and F10.CZ other bump:2.23557 Ang K8.CE and F10.CZ other bump:2.05509 Ang K8.NZ and F10.CZ other bump:2.74493 Ang K8.CG and F10.CZ other bump:1.77198 Ang K8.CD and F10.CE2 other bump:2.84509 Ang K8.NZ and F10.CE2 other bump:3.00766 Ang K8.CG and F10.CE2 other bump:2.569 Ang K8.CD and F10.CE1 other bump:2.67568 Ang K8.CD and F10.CD2 Number of specific fragments= 1 total=1755 # 1tr1A.59.63 read from T0187.t2k.frag # found chain 1tr1A in template set T0187 59 :KSLAKEKGF 1tr1A 65 :IRLMKELGI Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.57447 Ang K8.CG and F10.CZ other bump:1.15668 Ang K8.CD and F10.CZ other bump:0.979042 Ang K8.CE and F10.CZ other bump:1.36382 Ang K8.NZ and F10.CZ other bump:2.93392 Ang K8.CG and F10.CE2 other bump:1.52808 Ang K8.CD and F10.CE2 other bump:2.30664 Ang K8.CE and F10.CE2 other bump:2.28195 Ang K8.NZ and F10.CE2 other bump:2.48282 Ang K8.CG and F10.CE1 other bump:1.6842 Ang K8.CD and F10.CE1 other bump:0.804827 Ang K8.CE and F10.CE1 other bump:1.74559 Ang K8.NZ and F10.CE1 other bump:2.1875 Ang K8.CD and F10.CD2 other bump:2.30234 Ang K8.CD and F10.CD1 other bump:2.16531 Ang K8.CE and F10.CD1 other bump:2.74595 Ang K8.NZ and F10.CD1 other bump:2.51409 Ang K8.CD and F10.CG Number of specific fragments= 1 total=1756 # 1ja9A.59.62 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 59 :KSLAKEKGF 1ja9A 71 :VAELKKLGA Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5622 Ang K8.NZ and F10.CZ other bump:2.18947 Ang A5.CB and F10.CZ other bump:3.23097 Ang L4.C and F10.CZ other bump:2.53488 Ang A5.N and F10.CZ other bump:1.65146 Ang A5.CA and F10.CZ other bump:2.86237 Ang A5.C and F10.CZ other bump:2.06678 Ang K8.NZ and F10.CE2 other bump:2.87827 Ang K8.CB and F10.CE2 other bump:2.57294 Ang K8.CD and F10.CE2 other bump:2.24584 Ang K8.CE and F10.CE2 other bump:2.56899 Ang A5.CA and F10.CE2 other bump:1.05574 Ang A5.CB and F10.CE1 other bump:2.77475 Ang A5.N and F10.CE1 other bump:1.60962 Ang A5.CA and F10.CE1 other bump:2.70311 Ang A5.C and F10.CE1 other bump:2.93474 Ang K8.CB and F10.CD2 other bump:2.95207 Ang K8.CE and F10.CD2 other bump:3.25601 Ang A5.CA and F10.CD2 other bump:1.90549 Ang A5.CB and F10.CD1 other bump:2.54542 Ang A5.CA and F10.CD1 other bump:3.13573 Ang A5.CB and F10.CG Number of specific fragments= 1 total=1757 # 1bmqA.59.59 read from T0187.t2k.frag # adding 1bmqA to template set 1bmqA:# found chain 1bmqA in template set T0187 59 :KSLAKEKGF 1bmqA 190 :TMLLQNLGY Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61058 Ang S3.CA and E7.OE2 other bump:1.78445 Ang S3.O and E7.OE2 other bump:2.72724 Ang S3.CB and E7.OE2 other bump:2.35045 Ang S3.C and E7.OE2 other bump:2.79361 Ang S3.CA and E7.OE1 other bump:0.516781 Ang S3.O and E7.OE1 other bump:1.43771 Ang S3.C and E7.OE1 other bump:2.15445 Ang L4.N and E7.OE1 other bump:2.58337 Ang L4.C and E7.OE1 other bump:2.39789 Ang L4.CA and E7.OE1 other bump:3.06648 Ang S3.CA and E7.CD other bump:1.096 Ang S3.O and E7.CD other bump:2.13163 Ang S3.C and E7.CD other bump:2.46981 Ang S3.O and E7.CG Number of specific fragments= 1 total=1758 # 1pytA.59.59 read from T0187.t2k.frag # found chain 1pytA in template set T0187 59 :KSLAKEKGF 1pytA 65 :KVFLEAHGI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.88527 Ang K8.CB and F10.CE1 other bump:2.73194 Ang K8.CB and F10.CD1 other bump:2.94238 Ang L4.CD1 and K8.NZ Number of specific fragments= 1 total=1759 # 1e4iA.60.64 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 60 :SLAKEKGFN 1e4iA 66 :RLMKELGIR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.969579 Ang K7.CD and F9.CZ other bump:1.76624 Ang K7.CE and F9.CZ other bump:2.25127 Ang K7.NZ and F9.CZ other bump:1.76348 Ang K7.CG and F9.CZ other bump:1.01069 Ang K7.CD and F9.CE2 other bump:2.47836 Ang K7.CE and F9.CE2 other bump:3.20724 Ang K7.CA and F9.CE2 other bump:1.78839 Ang K7.CB and F9.CE2 other bump:1.10498 Ang K7.CG and F9.CE2 other bump:2.24875 Ang K7.CD and F9.CE1 other bump:2.89646 Ang K7.CE and F9.CE1 other bump:2.6754 Ang K7.NZ and F9.CE1 other bump:2.29583 Ang K7.CD and F9.CD2 other bump:2.19675 Ang K7.CB and F9.CD2 other bump:2.20193 Ang K7.CG and F9.CD2 other bump:3.05429 Ang K7.CD and F9.CD1 other bump:3.08842 Ang K7.CD and F9.CG Number of specific fragments= 1 total=1760 # 1qoxN.60.64 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 60 :SLAKEKGFN 1qoxN 66 :QLLKDLGVK Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.10428 Ang K7.CD and F9.CZ other bump:2.22712 Ang K7.NZ and F9.CZ other bump:2.53779 Ang K7.CG and F9.CZ other bump:1.99839 Ang K7.CE and F9.CZ other bump:1.97711 Ang K7.CD and F9.CE2 other bump:1.59214 Ang K7.NZ and F9.CE2 other bump:1.98985 Ang K7.CE and F9.CE2 other bump:1.4174 Ang K7.CD and F9.CE1 other bump:2.03651 Ang K7.CB and F9.CE1 other bump:1.98787 Ang K7.CG and F9.CE1 other bump:2.87422 Ang K7.CE and F9.CE1 other bump:2.71717 Ang K7.CD and F9.CD2 other bump:2.73699 Ang K7.NZ and F9.CD2 other bump:2.87062 Ang K7.CE and F9.CD2 other bump:2.35408 Ang K7.CD and F9.CD1 other bump:2.4025 Ang K7.CB and F9.CD1 other bump:2.5131 Ang K7.CG and F9.CD1 other bump:2.87491 Ang K7.CD and F9.CG Number of specific fragments= 1 total=1761 # 1tr1A.60.64 read from T0187.t2k.frag # found chain 1tr1A in template set T0187 60 :SLAKEKGFN 1tr1A 66 :RLMKELGIR Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81511 Ang K7.CB and F9.CZ other bump:1.66777 Ang K7.CG and F9.CZ other bump:0.585265 Ang K7.CD and F9.CZ other bump:1.2432 Ang K7.CE and F9.CZ other bump:2.31458 Ang K7.NZ and F9.CZ other bump:1.57707 Ang K7.CB and F9.CE2 other bump:3.05398 Ang K7.CA and F9.CE2 other bump:1.13257 Ang K7.CG and F9.CE2 other bump:0.99909 Ang K7.CD and F9.CE2 other bump:2.47358 Ang K7.CE and F9.CE2 other bump:2.5856 Ang K7.CG and F9.CE1 other bump:1.44383 Ang K7.CD and F9.CE1 other bump:0.596634 Ang K7.CE and F9.CE1 other bump:1.29091 Ang K7.NZ and F9.CE1 other bump:2.0265 Ang K7.CB and F9.CD2 other bump:1.9391 Ang K7.CG and F9.CD2 other bump:1.85571 Ang K7.CD and F9.CD2 other bump:2.13239 Ang K7.CD and F9.CD1 other bump:1.94583 Ang K7.CE and F9.CD1 other bump:2.14193 Ang K7.NZ and F9.CD1 other bump:2.79015 Ang K7.CG and F9.CG other bump:2.30503 Ang K7.CD and F9.CG other bump:2.9074 Ang K7.CE and F9.CG Number of specific fragments= 1 total=1762 # 1ja9A.60.63 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 60 :SLAKEKGFN 1ja9A 72 :AELKKLGAQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01609 Ang K7.CB and F9.CD1 Number of specific fragments= 1 total=1763 # 1bmqA.60.60 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 60 :SLAKEKGFN 1bmqA 191 :MLLQNLGYS Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.61058 Ang S2.CA and E6.OE2 other bump:2.35045 Ang S2.C and E6.OE2 other bump:2.72723 Ang S2.CB and E6.OE2 other bump:1.78445 Ang S2.O and E6.OE2 other bump:2.79361 Ang S2.CA and E6.OE1 other bump:1.43771 Ang S2.C and E6.OE1 other bump:2.15445 Ang L3.N and E6.OE1 other bump:2.58337 Ang L3.C and E6.OE1 other bump:0.516781 Ang S2.O and E6.OE1 other bump:2.39789 Ang L3.CA and E6.OE1 other bump:3.06648 Ang S2.CA and E6.CD other bump:2.13163 Ang S2.C and E6.CD other bump:1.096 Ang S2.O and E6.CD other bump:2.46981 Ang S2.O and E6.CG Number of specific fragments= 1 total=1764 # 1i8jA.60.64 read from T0187.t2k.frag # adding 1i8jA to template set 1i8jA:# found chain 1i8jA in template set T0187 60 :SLAKEKGFN 1i8jA 65 :ERIANAGIR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.55257 Ang K7.NZ and F9.CE2 Number of specific fragments= 1 total=1765 # 1e4iA.61.65 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 61 :LAKEKGFNA 1e4iA 67 :LMKELGIRT Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.76348 Ang K6.CG and F8.CZ other bump:0.969579 Ang K6.CD and F8.CZ other bump:1.76624 Ang K6.CE and F8.CZ other bump:2.25127 Ang K6.NZ and F8.CZ other bump:1.78839 Ang K6.CB and F8.CE2 other bump:1.10498 Ang K6.CG and F8.CE2 other bump:1.01069 Ang K6.CD and F8.CE2 other bump:2.47836 Ang K6.CE and F8.CE2 other bump:3.20724 Ang K6.CA and F8.CE2 other bump:2.24875 Ang K6.CD and F8.CE1 other bump:2.89646 Ang K6.CE and F8.CE1 other bump:2.6754 Ang K6.NZ and F8.CE1 other bump:2.19675 Ang K6.CB and F8.CD2 other bump:2.20193 Ang K6.CG and F8.CD2 other bump:2.29583 Ang K6.CD and F8.CD2 other bump:3.05429 Ang K6.CD and F8.CD1 other bump:3.08842 Ang K6.CD and F8.CG Number of specific fragments= 1 total=1766 # 1qoxN.61.65 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 61 :LAKEKGFNA 1qoxN 67 :LLKDLGVKV Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.10428 Ang K6.CD and F8.CZ other bump:2.22712 Ang K6.NZ and F8.CZ other bump:2.53779 Ang K6.CG and F8.CZ other bump:1.99839 Ang K6.CE and F8.CZ other bump:1.97711 Ang K6.CD and F8.CE2 other bump:1.59214 Ang K6.NZ and F8.CE2 other bump:1.98985 Ang K6.CE and F8.CE2 other bump:1.4174 Ang K6.CD and F8.CE1 other bump:2.03651 Ang K6.CB and F8.CE1 other bump:1.98787 Ang K6.CG and F8.CE1 other bump:2.87422 Ang K6.CE and F8.CE1 other bump:2.71717 Ang K6.CD and F8.CD2 other bump:2.73699 Ang K6.NZ and F8.CD2 other bump:2.87062 Ang K6.CE and F8.CD2 other bump:2.35408 Ang K6.CD and F8.CD1 other bump:2.4025 Ang K6.CB and F8.CD1 other bump:2.5131 Ang K6.CG and F8.CD1 other bump:2.87491 Ang K6.CD and F8.CG Number of specific fragments= 1 total=1767 # 1tr1A.61.65 read from T0187.t2k.frag # found chain 1tr1A in template set T0187 61 :LAKEKGFNA 1tr1A 67 :LMKELGIRT Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81511 Ang K6.CB and F8.CZ other bump:1.66777 Ang K6.CG and F8.CZ other bump:0.585265 Ang K6.CD and F8.CZ other bump:1.2432 Ang K6.CE and F8.CZ other bump:2.31458 Ang K6.NZ and F8.CZ other bump:1.57707 Ang K6.CB and F8.CE2 other bump:3.05398 Ang K6.CA and F8.CE2 other bump:1.13257 Ang K6.CG and F8.CE2 other bump:0.99909 Ang K6.CD and F8.CE2 other bump:2.47358 Ang K6.CE and F8.CE2 other bump:2.5856 Ang K6.CG and F8.CE1 other bump:1.44383 Ang K6.CD and F8.CE1 other bump:0.596634 Ang K6.CE and F8.CE1 other bump:1.29091 Ang K6.NZ and F8.CE1 other bump:2.0265 Ang K6.CB and F8.CD2 other bump:1.9391 Ang K6.CG and F8.CD2 other bump:1.85571 Ang K6.CD and F8.CD2 other bump:2.13239 Ang K6.CD and F8.CD1 other bump:1.94583 Ang K6.CE and F8.CD1 other bump:2.14193 Ang K6.NZ and F8.CD1 other bump:2.79015 Ang K6.CG and F8.CG other bump:2.30503 Ang K6.CD and F8.CG other bump:2.9074 Ang K6.CE and F8.CG Number of specific fragments= 1 total=1768 # 1bmqA.61.61 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 61 :LAKEKGFNA 1bmqA 192 :LLQNLGYSV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.78445 Ang G1.O and E5.OE2 other bump:2.35045 Ang G1.C and E5.OE2 other bump:2.58337 Ang L2.C and E5.OE1 other bump:0.516781 Ang G1.O and E5.OE1 other bump:1.43771 Ang G1.C and E5.OE1 other bump:2.15445 Ang L2.N and E5.OE1 other bump:2.39789 Ang L2.CA and E5.OE1 other bump:1.096 Ang G1.O and E5.CD other bump:2.13163 Ang G1.C and E5.CD other bump:2.46981 Ang G1.O and E5.CG Number of specific fragments= 1 total=1769 # 1ja9A.61.64 read from T0187.t2k.frag # found chain 1ja9A in template set T0187 61 :LAKEKGFNA 1ja9A 73 :ELKKLGAQG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.01609 Ang K6.CB and F8.CD1 Number of specific fragments= 1 total=1770 # 1gaxA.61.65 read from T0187.t2k.frag # adding 1gaxA to template set 1gaxA:# found chain 1gaxA in template set T0187 61 :LAKEKGFNA 1gaxA 66 :YKRMRGFEA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5713 Ang L2.O and K6.CB Number of specific fragments= 1 total=1771 # 1e4iA.62.66 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 62 :AKEKGFNAE 1e4iA 68 :MKELGIRTY Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.969579 Ang K5.CD and F7.CZ other bump:1.76624 Ang K5.CE and F7.CZ other bump:2.25127 Ang K5.NZ and F7.CZ other bump:1.76348 Ang K5.CG and F7.CZ other bump:1.01069 Ang K5.CD and F7.CE2 other bump:2.47836 Ang K5.CE and F7.CE2 other bump:3.20724 Ang K5.CA and F7.CE2 other bump:1.78839 Ang K5.CB and F7.CE2 other bump:1.10498 Ang K5.CG and F7.CE2 other bump:2.24875 Ang K5.CD and F7.CE1 other bump:2.89646 Ang K5.CE and F7.CE1 other bump:2.6754 Ang K5.NZ and F7.CE1 other bump:2.29583 Ang K5.CD and F7.CD2 other bump:2.19675 Ang K5.CB and F7.CD2 other bump:2.20193 Ang K5.CG and F7.CD2 other bump:3.05429 Ang K5.CD and F7.CD1 other bump:3.08842 Ang K5.CD and F7.CG Number of specific fragments= 1 total=1772 # 1qoxN.62.66 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 62 :AKEKGFNAE 1qoxN 68 :LKDLGVKVY Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.10428 Ang K5.CD and F7.CZ other bump:2.22712 Ang K5.NZ and F7.CZ other bump:2.53779 Ang K5.CG and F7.CZ other bump:1.99839 Ang K5.CE and F7.CZ other bump:1.97711 Ang K5.CD and F7.CE2 other bump:1.59214 Ang K5.NZ and F7.CE2 other bump:1.98985 Ang K5.CE and F7.CE2 other bump:1.4174 Ang K5.CD and F7.CE1 other bump:2.03651 Ang K5.CB and F7.CE1 other bump:1.98787 Ang K5.CG and F7.CE1 other bump:2.87422 Ang K5.CE and F7.CE1 other bump:2.71717 Ang K5.CD and F7.CD2 other bump:2.73699 Ang K5.NZ and F7.CD2 other bump:2.87062 Ang K5.CE and F7.CD2 other bump:2.35408 Ang K5.CD and F7.CD1 other bump:2.4025 Ang K5.CB and F7.CD1 other bump:2.5131 Ang K5.CG and F7.CD1 other bump:2.87491 Ang K5.CD and F7.CG Number of specific fragments= 1 total=1773 # 1tr1A.62.66 read from T0187.t2k.frag # found chain 1tr1A in template set T0187 62 :AKEKGFNAE 1tr1A 68 :MKELGIRTY Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81511 Ang K5.CB and F7.CZ other bump:1.66777 Ang K5.CG and F7.CZ other bump:0.585265 Ang K5.CD and F7.CZ other bump:1.2432 Ang K5.CE and F7.CZ other bump:2.31458 Ang K5.NZ and F7.CZ other bump:3.05398 Ang K5.CA and F7.CE2 other bump:1.57707 Ang K5.CB and F7.CE2 other bump:1.13257 Ang K5.CG and F7.CE2 other bump:0.99909 Ang K5.CD and F7.CE2 other bump:2.47358 Ang K5.CE and F7.CE2 other bump:2.5856 Ang K5.CG and F7.CE1 other bump:1.44383 Ang K5.CD and F7.CE1 other bump:0.596634 Ang K5.CE and F7.CE1 other bump:1.29091 Ang K5.NZ and F7.CE1 other bump:2.0265 Ang K5.CB and F7.CD2 other bump:1.9391 Ang K5.CG and F7.CD2 other bump:1.85571 Ang K5.CD and F7.CD2 other bump:2.13239 Ang K5.CD and F7.CD1 other bump:1.94583 Ang K5.CE and F7.CD1 other bump:2.14193 Ang K5.NZ and F7.CD1 other bump:2.79015 Ang K5.CG and F7.CG other bump:2.30503 Ang K5.CD and F7.CG other bump:2.9074 Ang K5.CE and F7.CG Number of specific fragments= 1 total=1774 # 1gaxA.62.66 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 62 :AKEKGFNAE 1gaxA 67 :KRMRGFEAV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5713 Ang G1.O and K5.CB Number of specific fragments= 1 total=1775 # 1bmqA.62.62 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 62 :AKEKGFNAE 1bmqA 193 :LQNLGYSVD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.58337 Ang G1.C and E4.OE1 Number of specific fragments= 1 total=1776 # 1jj2F.62.66 read from T0187.t2k.frag # adding 1jj2F to template set 1jj2F:# found chain 1jj2F in template set T0187 62 :AKEKGFNAE 1jj2F 67 :ADEKGVPFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1777 # 1e4iA.63.67 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 63 :KEKGFNAEI 1e4iA 69 :KELGIRTYR Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.969579 Ang K4.CD and F6.CZ other bump:1.76624 Ang K4.CE and F6.CZ other bump:2.25127 Ang K4.NZ and F6.CZ other bump:1.76348 Ang K4.CG and F6.CZ other bump:1.01069 Ang K4.CD and F6.CE2 other bump:2.47836 Ang K4.CE and F6.CE2 other bump:3.20724 Ang K4.CA and F6.CE2 other bump:1.78839 Ang K4.CB and F6.CE2 other bump:1.10498 Ang K4.CG and F6.CE2 other bump:2.24875 Ang K4.CD and F6.CE1 other bump:2.89646 Ang K4.CE and F6.CE1 other bump:2.6754 Ang K4.NZ and F6.CE1 other bump:2.29583 Ang K4.CD and F6.CD2 other bump:2.19675 Ang K4.CB and F6.CD2 other bump:2.20193 Ang K4.CG and F6.CD2 other bump:3.05429 Ang K4.CD and F6.CD1 other bump:3.08842 Ang K4.CD and F6.CG Number of specific fragments= 1 total=1778 # 1qoxN.63.67 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 63 :KEKGFNAEI 1qoxN 69 :KDLGVKVYR Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.10428 Ang K4.CD and F6.CZ other bump:2.22712 Ang K4.NZ and F6.CZ other bump:2.53779 Ang K4.CG and F6.CZ other bump:1.99839 Ang K4.CE and F6.CZ other bump:1.97711 Ang K4.CD and F6.CE2 other bump:1.59214 Ang K4.NZ and F6.CE2 other bump:1.98985 Ang K4.CE and F6.CE2 other bump:1.4174 Ang K4.CD and F6.CE1 other bump:2.03651 Ang K4.CB and F6.CE1 other bump:1.98787 Ang K4.CG and F6.CE1 other bump:2.87422 Ang K4.CE and F6.CE1 other bump:2.71717 Ang K4.CD and F6.CD2 other bump:2.73699 Ang K4.NZ and F6.CD2 other bump:2.87062 Ang K4.CE and F6.CD2 other bump:2.35408 Ang K4.CD and F6.CD1 other bump:2.4025 Ang K4.CB and F6.CD1 other bump:2.5131 Ang K4.CG and F6.CD1 other bump:2.87491 Ang K4.CD and F6.CG Number of specific fragments= 1 total=1779 # 1gaxA.63.67 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 63 :KEKGFNAEI 1gaxA 68 :RMRGFEAVW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1780 # 1tr1A.63.67 read from T0187.t2k.frag # found chain 1tr1A in template set T0187 63 :KEKGFNAEI 1tr1A 69 :KELGIRTYR Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81511 Ang K4.CB and F6.CZ other bump:1.66777 Ang K4.CG and F6.CZ other bump:0.585265 Ang K4.CD and F6.CZ other bump:1.2432 Ang K4.CE and F6.CZ other bump:2.31458 Ang K4.NZ and F6.CZ other bump:3.05398 Ang K4.CA and F6.CE2 other bump:1.57707 Ang K4.CB and F6.CE2 other bump:1.13257 Ang K4.CG and F6.CE2 other bump:0.99909 Ang K4.CD and F6.CE2 other bump:2.47358 Ang K4.CE and F6.CE2 other bump:2.5856 Ang K4.CG and F6.CE1 other bump:1.44383 Ang K4.CD and F6.CE1 other bump:0.596634 Ang K4.CE and F6.CE1 other bump:1.29091 Ang K4.NZ and F6.CE1 other bump:2.0265 Ang K4.CB and F6.CD2 other bump:1.9391 Ang K4.CG and F6.CD2 other bump:1.85571 Ang K4.CD and F6.CD2 other bump:2.13239 Ang K4.CD and F6.CD1 other bump:1.94583 Ang K4.CE and F6.CD1 other bump:2.14193 Ang K4.NZ and F6.CD1 other bump:2.79015 Ang K4.CG and F6.CG other bump:2.30503 Ang K4.CD and F6.CG other bump:2.9074 Ang K4.CE and F6.CG Number of specific fragments= 1 total=1781 # 1bmqA.63.63 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 63 :KEKGFNAEI 1bmqA 194 :QNLGYSVDV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1782 # 1jj2F.63.67 read from T0187.t2k.frag # found chain 1jj2F in template set T0187 63 :KEKGFNAEI 1jj2F 68 :DEKGVPFIF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1783 # 1gaxA.64.68 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 64 :EKGFNAEII 1gaxA 69 :MRGFEAVWL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1784 # 1qoxN.64.68 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 64 :EKGFNAEII 1qoxN 70 :DLGVKVYRF Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.10428 Ang K3.CD and F5.CZ other bump:2.22713 Ang K3.NZ and F5.CZ other bump:2.5378 Ang K3.CG and F5.CZ other bump:1.99839 Ang K3.CE and F5.CZ other bump:1.97711 Ang K3.CD and F5.CE2 other bump:1.59215 Ang K3.NZ and F5.CE2 other bump:1.98986 Ang K3.CE and F5.CE2 other bump:1.41741 Ang K3.CD and F5.CE1 other bump:2.03652 Ang K3.CB and F5.CE1 other bump:1.98787 Ang K3.CG and F5.CE1 other bump:2.87422 Ang K3.CE and F5.CE1 other bump:2.71717 Ang K3.CD and F5.CD2 other bump:2.73701 Ang K3.NZ and F5.CD2 other bump:2.87063 Ang K3.CE and F5.CD2 other bump:2.35409 Ang K3.CD and F5.CD1 other bump:2.4025 Ang K3.CB and F5.CD1 other bump:2.5131 Ang K3.CG and F5.CD1 other bump:2.87492 Ang K3.CD and F5.CG Number of specific fragments= 1 total=1785 # 1e4iA.64.68 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 64 :EKGFNAEII 1e4iA 70 :ELGIRTYRF Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.969579 Ang K3.CD and F5.CZ other bump:1.76624 Ang K3.CE and F5.CZ other bump:2.25127 Ang K3.NZ and F5.CZ other bump:1.76348 Ang K3.CG and F5.CZ other bump:1.01069 Ang K3.CD and F5.CE2 other bump:2.47836 Ang K3.CE and F5.CE2 other bump:1.78839 Ang K3.CB and F5.CE2 other bump:1.10498 Ang K3.CG and F5.CE2 other bump:3.20724 Ang K3.CA and F5.CE2 other bump:2.24875 Ang K3.CD and F5.CE1 other bump:2.89646 Ang K3.CE and F5.CE1 other bump:2.6754 Ang K3.NZ and F5.CE1 other bump:2.29583 Ang K3.CD and F5.CD2 other bump:2.19675 Ang K3.CB and F5.CD2 other bump:2.20193 Ang K3.CG and F5.CD2 other bump:3.05429 Ang K3.CD and F5.CD1 other bump:3.08842 Ang K3.CD and F5.CG Number of specific fragments= 1 total=1786 # 1tr1A.64.68 read from T0187.t2k.frag # found chain 1tr1A in template set T0187 64 :EKGFNAEII 1tr1A 70 :ELGIRTYRF Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81511 Ang K3.CB and F5.CZ other bump:1.66777 Ang K3.CG and F5.CZ other bump:0.585265 Ang K3.CD and F5.CZ other bump:1.2432 Ang K3.CE and F5.CZ other bump:2.31458 Ang K3.NZ and F5.CZ other bump:3.05398 Ang K3.CA and F5.CE2 other bump:1.57707 Ang K3.CB and F5.CE2 other bump:1.13257 Ang K3.CG and F5.CE2 other bump:0.99909 Ang K3.CD and F5.CE2 other bump:2.47358 Ang K3.CE and F5.CE2 other bump:2.5856 Ang K3.CG and F5.CE1 other bump:1.44383 Ang K3.CD and F5.CE1 other bump:0.596634 Ang K3.CE and F5.CE1 other bump:1.29091 Ang K3.NZ and F5.CE1 other bump:2.0265 Ang K3.CB and F5.CD2 other bump:1.9391 Ang K3.CG and F5.CD2 other bump:1.85571 Ang K3.CD and F5.CD2 other bump:2.13239 Ang K3.CD and F5.CD1 other bump:1.94583 Ang K3.CE and F5.CD1 other bump:2.14193 Ang K3.NZ and F5.CD1 other bump:2.79015 Ang K3.CG and F5.CG other bump:2.30503 Ang K3.CD and F5.CG other bump:2.9074 Ang K3.CE and F5.CG Number of specific fragments= 1 total=1787 # 1jj2F.64.68 read from T0187.t2k.frag # found chain 1jj2F in template set T0187 64 :EKGFNAEII 1jj2F 69 :EKGVPFIFV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1788 # 1bmqA.64.64 read from T0187.t2k.frag # found chain 1bmqA in template set T0187 64 :EKGFNAEII 1bmqA 195 :NLGYSVDVK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1789 # 1gaxA.65.69 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 65 :KGFNAEIIT 1gaxA 70 :RGFEAVWLP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1790 # 1qoxN.65.69 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 65 :KGFNAEIIT 1qoxN 71 :LGVKVYRFS Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22712 Ang K2.NZ and F4.CZ other bump:2.53779 Ang K2.CG and F4.CZ other bump:1.10429 Ang K2.CD and F4.CZ other bump:1.9984 Ang K2.CE and F4.CZ other bump:1.59215 Ang K2.NZ and F4.CE2 other bump:1.97712 Ang K2.CD and F4.CE2 other bump:1.98987 Ang K2.CE and F4.CE2 other bump:2.03651 Ang K2.CB and F4.CE1 other bump:1.98788 Ang K2.CG and F4.CE1 other bump:1.41741 Ang K2.CD and F4.CE1 other bump:2.87423 Ang K2.CE and F4.CE1 other bump:2.73701 Ang K2.NZ and F4.CD2 other bump:2.71718 Ang K2.CD and F4.CD2 other bump:2.87064 Ang K2.CE and F4.CD2 other bump:2.4025 Ang K2.CB and F4.CD1 other bump:2.51311 Ang K2.CG and F4.CD1 other bump:2.3541 Ang K2.CD and F4.CD1 other bump:2.87493 Ang K2.CD and F4.CG Number of specific fragments= 1 total=1791 # 1e4iA.65.69 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 65 :KGFNAEIIT 1e4iA 71 :LGIRTYRFS Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.930321 Ang K2.CE and F4.CZ other bump:2.01153 Ang K2.NZ and F4.CZ other bump:0.587572 Ang K2.CD and F4.CZ other bump:1.79783 Ang K2.CG and F4.CZ other bump:2.30325 Ang K2.CE and F4.CE2 other bump:0.871227 Ang K2.CD and F4.CE2 other bump:3.20724 Ang K2.CA and F4.CE2 other bump:1.77108 Ang K2.CB and F4.CE2 other bump:1.15497 Ang K2.CG and F4.CE2 other bump:1.11421 Ang K2.CE and F4.CE1 other bump:1.49009 Ang K2.NZ and F4.CE1 other bump:1.82997 Ang K2.CD and F4.CE1 other bump:2.83622 Ang K2.CG and F4.CE1 other bump:2.05569 Ang K2.CD and F4.CD2 other bump:2.19918 Ang K2.CB and F4.CD2 other bump:2.07928 Ang K2.CG and F4.CD2 other bump:2.47155 Ang K2.CE and F4.CD1 other bump:2.66351 Ang K2.NZ and F4.CD1 other bump:2.61438 Ang K2.CD and F4.CD1 other bump:2.71451 Ang K2.CD and F4.CG other bump:3.04348 Ang K2.CG and F4.CG Number of specific fragments= 1 total=1792 # 1kid.65.69 read from T0187.t2k.frag # found chain 1kid in training set T0187 65 :KGFNAEIIT 1kid 243 :AGKPLLIIA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1793 # 1tr1A.65.69 read from T0187.t2k.frag # found chain 1tr1A in template set T0187 65 :KGFNAEIIT 1tr1A 71 :LGIRTYRFS Fragment has 23 clashes (null) has 23 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.81511 Ang K2.CB and F4.CZ other bump:0.585267 Ang K2.CD and F4.CZ other bump:1.66777 Ang K2.CG and F4.CZ other bump:1.24319 Ang K2.CE and F4.CZ other bump:2.31457 Ang K2.NZ and F4.CZ other bump:3.05398 Ang K2.CA and F4.CE2 other bump:1.57707 Ang K2.CB and F4.CE2 other bump:0.999092 Ang K2.CD and F4.CE2 other bump:1.13257 Ang K2.CG and F4.CE2 other bump:2.47358 Ang K2.CE and F4.CE2 other bump:1.44383 Ang K2.CD and F4.CE1 other bump:2.58561 Ang K2.CG and F4.CE1 other bump:0.596642 Ang K2.CE and F4.CE1 other bump:1.2909 Ang K2.NZ and F4.CE1 other bump:2.0265 Ang K2.CB and F4.CD2 other bump:1.8557 Ang K2.CD and F4.CD2 other bump:1.93911 Ang K2.CG and F4.CD2 other bump:2.13239 Ang K2.CD and F4.CD1 other bump:1.94584 Ang K2.CE and F4.CD1 other bump:2.14193 Ang K2.NZ and F4.CD1 other bump:2.30503 Ang K2.CD and F4.CG other bump:2.79016 Ang K2.CG and F4.CG other bump:2.90741 Ang K2.CE and F4.CG Number of specific fragments= 1 total=1794 # 1k6dA.65.66 read from T0187.t2k.frag # adding 1k6dA to template set 1k6dA:# found chain 1k6dA in template set T0187 65 :KGFNAEIIT 1k6dA 67 :NGRVRKVIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.11843 Ang K2.CB and F4.CE2 Number of specific fragments= 1 total=1795 # 1kid.66.70 read from T0187.t2k.frag # found chain 1kid in training set T0187 66 :GFNAEIITT 1kid 244 :GKPLLIIAE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1796 # 1gaxA.66.70 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 66 :GFNAEIITT 1gaxA 71 :GFEAVWLPG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.14245 Ang T9.O and T10.CG2 neighbor-bump: 2.81285 Ang T9.C and T10.CG2 Number of specific fragments= 1 total=1797 # 1qoxN.66.70 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 66 :GFNAEIITT 1qoxN 72 :GVKVYRFSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1798 # 1k6dA.66.67 read from T0187.t2k.frag # found chain 1k6dA in template set T0187 66 :GFNAEIITT 1k6dA 68 :GRVRKVIAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1799 # 1cjbA.66.66 read from T0187.t2k.frag # adding 1cjbA to template set 1cjbA:# found chain 1cjbA in template set T0187 66 :GFNAEIITT 1cjbA 67 :NEEFHILCL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1800 # 1e4iA.66.70 read from T0187.t2k.frag # found chain 1e4iA in template set T0187 66 :GFNAEIITT 1e4iA 72 :GIRTYRFSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1801 # 1kid.67.71 read from T0187.t2k.frag # found chain 1kid in training set T0187 67 :FNAEIITTS 1kid 245 :KPLLIIAED Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91047 Ang T8.OG1 and S10.C Number of specific fragments= 1 total=1802 # 1gaxA.67.71 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 67 :FNAEIITTS 1gaxA 72 :FEAVWLPGT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.14707 Ang T8.O and T9.OG1 neighbor-bump: 2.67152 Ang T8.C and T9.OG1 Number of specific fragments= 1 total=1803 # 1k6dA.67.68 read from T0187.t2k.frag # found chain 1k6dA in template set T0187 67 :FNAEIITTS 1k6dA 69 :RVRKVIASH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1804 # 1cjbA.67.67 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 67 :FNAEIITTS 1cjbA 68 :EEFHILCLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1805 # 1qoxN.67.71 read from T0187.t2k.frag # found chain 1qoxN in template set T0187 67 :FNAEIITTS 1qoxN 73 :VKVYRFSIS Fragment has 20 clashes (null) has 20 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63901 Ang F2.CE1 and E5.CA other bump:2.79752 Ang F2.CZ and E5.CA other bump:1.97318 Ang F2.CE1 and E5.N other bump:2.44801 Ang F2.CZ and E5.N other bump:2.42827 Ang F2.CD1 and A4.C other bump:1.09939 Ang F2.CE1 and A4.C other bump:2.87272 Ang F2.CE2 and A4.C other bump:1.55055 Ang F2.CZ and A4.C other bump:2.00803 Ang F2.CD1 and A4.O other bump:0.928549 Ang F2.CE1 and A4.O other bump:1.66373 Ang F2.CE2 and A4.O other bump:0.476223 Ang F2.CZ and A4.O other bump:2.5819 Ang F2.CG and A4.O other bump:2.43929 Ang F2.CD2 and A4.O other bump:3.09715 Ang F2.CD1 and A4.CA other bump:2.20643 Ang F2.CE1 and A4.CA other bump:2.72834 Ang F2.CZ and A4.CA other bump:2.72083 Ang F2.CD1 and A4.N other bump:2.49642 Ang F2.CE1 and A4.N other bump:3.16111 Ang F2.CZ and A4.N Number of specific fragments= 1 total=1806 # 1hdoA.67.67 read from T0187.t2k.frag # found chain 1hdoA in training set T0187 67 :FNAEIITTS 1hdoA 68 :QDAVIVLLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1807 # 1kid.68.72 read from T0187.t2k.frag # found chain 1kid in training set T0187 68 :NAEIITTSL 1kid 246 :PLLIIAEDV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.13083 Ang T7.CB and L10.CD2 other bump:2.46352 Ang T7.OG1 and L10.CD2 other bump:2.91047 Ang T7.OG1 and S9.C Number of specific fragments= 1 total=1808 # 1k6dA.68.69 read from T0187.t2k.frag # found chain 1k6dA in template set T0187 68 :NAEIITTSL 1k6dA 70 :VRKVIASHI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97506 Ang I5.CD1 and L10.CD2 other bump:2.43859 Ang N2.ND2 and I5.CG2 Number of specific fragments= 1 total=1809 # 1cjbA.68.68 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 68 :NAEIITTSL 1cjbA 69 :EFHILCLLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1810 # 1gaxA.68.72 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 68 :NAEIITTSL 1gaxA 73 :EAVWLPGTD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.14707 Ang T7.O and T8.OG1 neighbor-bump: 2.67152 Ang T7.C and T8.OG1 Number of specific fragments= 1 total=1811 # 1cjbA.68.70 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 68 :NAEIITTSL 1cjbA 71 :HILCLLKGS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.61404 Ang T7.CG2 and T8.OG1 neighbor-bump: 3.06555 Ang T7.CG2 and T8.CA Number of specific fragments= 1 total=1812 # 1hdoA.68.68 read from T0187.t2k.frag # found chain 1hdoA in training set T0187 68 :NAEIITTSL 1hdoA 69 :DAVIVLLGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1813 # 1kid.69.73 read from T0187.t2k.frag # found chain 1kid in training set T0187 69 :AEIITTSLD 1kid 247 :LLIIAEDVE Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46352 Ang T6.OG1 and L9.CD2 other bump:3.13083 Ang T6.CB and L9.CD2 other bump:2.91047 Ang T6.OG1 and S8.C Number of specific fragments= 1 total=1814 # 1k6dA.69.70 read from T0187.t2k.frag # found chain 1k6dA in template set T0187 69 :AEIITTSLD 1k6dA 71 :RKVIASHIG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97012 Ang I4.CD1 and L9.CD2 Number of specific fragments= 1 total=1815 # 1cjbA.69.69 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 69 :AEIITTSLD 1cjbA 70 :FHILCLLKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1816 # 1cjbA.69.71 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 69 :AEIITTSLD 1cjbA 72 :ILCLLKGSR Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.7521 Ang I5.CB and L9.CD1 neighbor-bump: 2.61404 Ang T6.CG2 and T7.OG1 neighbor-bump: 3.06555 Ang T6.CG2 and T7.CA Number of specific fragments= 1 total=1817 # 1gaxA.69.73 read from T0187.t2k.frag # found chain 1gaxA in template set T0187 69 :AEIITTSLD 1gaxA 74 :AVWLPGTDH Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.14707 Ang T6.O and T7.OG1 neighbor-bump: 2.67152 Ang T6.C and T7.OG1 Number of specific fragments= 1 total=1818 # 1srvA.69.55 read from T0187.t2k.frag # found chain 1srvA in template set T0187 69 :AEIITTSLD 1srvA 247 :LLIIAEDVE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69871 Ang T6.OG1 and L9.CD2 Number of specific fragments= 1 total=1819 # 1kid.70.74 read from T0187.t2k.frag # found chain 1kid in training set T0187 70 :EIITTSLDC 1kid 248 :LIIAEDVEG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3195 Ang C10.CA and C10.CB other bump:2.46352 Ang T5.OG1 and L8.CD2 other bump:3.13083 Ang T5.CB and L8.CD2 other bump:2.91047 Ang T5.OG1 and S7.C Number of specific fragments= 1 total=1820 # 1k6dA.70.71 read from T0187.t2k.frag # found chain 1k6dA in template set T0187 70 :EIITTSLDC 1k6dA 72 :KVIASHIGT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97012 Ang I3.CD1 and L8.CD2 Number of specific fragments= 1 total=1821 # 1cjbA.70.70 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 70 :EIITTSLDC 1cjbA 71 :HILCLLKGS Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73809 Ang T6.N and C10.SG other bump:3.21383 Ang T5.CG2 and C10.SG other bump:2.82534 Ang T6.C and C10.SG Number of specific fragments= 1 total=1822 # 1cjbA.70.72 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 70 :EIITTSLDC 1cjbA 73 :LCLLKGSRG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.75211 Ang I4.CB and L8.CD1 neighbor-bump: 2.61404 Ang T5.CG2 and T6.OG1 neighbor-bump: 3.06555 Ang T5.CG2 and T6.CA Number of specific fragments= 1 total=1823 # 1rvv1.70.75 read from T0187.t2k.frag # adding 1rvv1 to template set 1rvv1:# found chain 1rvv1 in template set T0187 70 :EIITTSLDC 1rvv1 76 :ITLGTVIRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68341 Ang E2.OE2 and I4.CD1 Number of specific fragments= 1 total=1824 # 1rvvA.70.75 read from T0187.t2k.frag # adding 1rvvA to template set 1rvvA:# found chain 1rvvA in template set T0187 70 :EIITTSLDC 1rvvA 76 :ITLGTVIRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68324 Ang E2.OE2 and I4.CD1 Number of specific fragments= 1 total=1825 # 1kid.71.75 read from T0187.t2k.frag # found chain 1kid in training set T0187 71 :IITTSLDCE 1kid 249 :IIAEDVEGE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47506 Ang C9.CB and E10.N self-bump: 1.32261 Ang C9.CA and C9.CB other bump:3.13083 Ang T4.CB and L7.CD2 other bump:2.46352 Ang T4.OG1 and L7.CD2 other bump:2.91047 Ang T4.OG1 and S6.C Number of specific fragments= 1 total=1826 # 1k6dA.71.72 read from T0187.t2k.frag # found chain 1k6dA in template set T0187 71 :IITTSLDCE 1k6dA 73 :VIASHIGTN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.97013 Ang I2.CD1 and L7.CD2 Number of specific fragments= 1 total=1827 # 1cjbA.71.71 read from T0187.t2k.frag # found chain 1cjbA in template set T0187 71 :IITTSLDCE 1cjbA 72 :ILCLLKGSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1828 # 1jjtA.71.72 read from T0187.t2k.frag # found chain 1jjtA in training set T0187 71 :IITTSLDCE 1jjtA 73 :SISSHFHSD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1829 # 1qk4A.71.75 read from T0187.t2k.frag # adding 1qk4A to template set 1qk4A:# found chain 1qk4A in template set T0187 71 :IITTSLDCE 1qk4A 73 :HIICILKGS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07502 Ang S6.CB and E10.CD Number of specific fragments= 1 total=1830 # 1rvv1.71.76 read from T0187.t2k.frag # found chain 1rvv1 in template set T0187 71 :IITTSLDCE 1rvv1 77 :TLGTVIRGA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1831 # 1kid.72.76 read from T0187.t2k.frag # found chain 1kid in training set T0187 72 :ITTSLDCEA 1kid 250 :IAEDVEGEA Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47506 Ang C8.CB and E9.N self-bump: 1.32261 Ang C8.CA and C8.CB other bump:3.13083 Ang T3.CB and L6.CD2 other bump:2.46352 Ang T3.OG1 and L6.CD2 other bump:2.91047 Ang T3.OG1 and S5.C Number of specific fragments= 1 total=1832 # 1k6dA.72.73 read from T0187.t2k.frag # found chain 1k6dA in template set T0187 72 :ITTSLDCEA 1k6dA 74 :IASHIGTNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1833 # 1a17.72.76 read from T0187.t2k.frag # adding 1a17 to template set 1a17:# found chain 1a17 in template set T0187 72 :ITTSLDCEA 1a17 92 :DKKYIKGYY Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.93845 Ang G1.C and I2.CG1 Number of specific fragments= 1 total=1834 # 1l5aA.72.73 read from T0187.t2k.frag # adding 1l5aA to template set 1l5aA:# found chain 1l5aA in template set T0187 72 :ITTSLDCEA 1l5aA 74 :QDLSIHLEA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1835 # 1b3uA.72.74 read from T0187.t2k.frag # adding 1b3uA to template set 1b3uA:# found chain 1b3uA in template set T0187 72 :ITTSLDCEA 1b3uA 75 :FTTLVGGPE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.42327 Ang C8.CB and E9.N self-bump: 2.17281 Ang C8.CB and C8.C other bump:2.89129 Ang T4.CA and C8.SG self-bump: 1.28273 Ang C8.CA and C8.CB other bump:2.69837 Ang I2.CG2 and L6.CD1 other bump:3.129 Ang I2.CG2 and L6.CG other bump:2.77458 Ang I2.CA and S5.OG Number of specific fragments= 1 total=1836 # 1jjtA.72.73 read from T0187.t2k.frag # found chain 1jjtA in training set T0187 72 :ITTSLDCEA 1jjtA 74 :ISSHFHSDS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1837 # 1kid.73.77 read from T0187.t2k.frag # found chain 1kid in training set T0187 73 :TTSLDCEAR 1kid 251 :AEDVEGEAL Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.20793 Ang L5.O and R10.NH2 other bump:2.92105 Ang L5.C and R10.NH2 other bump:2.73482 Ang D6.CA and R10.NH2 other bump:2.55268 Ang D6.CB and R10.NH2 other bump:2.47723 Ang L5.O and R10.CZ other bump:3.30356 Ang L5.C and R10.CZ other bump:2.70954 Ang D6.CA and R10.CZ neighbor-bump: 2.47507 Ang C7.CB and E8.N self-bump: 1.32261 Ang C7.CA and C7.CB other bump:3.10089 Ang T2.CB and L5.CD2 other bump:2.43891 Ang T2.OG1 and L5.CD2 Number of specific fragments= 1 total=1838 # 1a17.73.77 read from T0187.t2k.frag # found chain 1a17 in template set T0187 73 :TTSLDCEAR 1a17 93 :KKYIKGYYR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1839 # 1ilk.73.74 read from T0187.t2k.frag # adding 1ilk to template set 1ilk:Skipped atom 367, because occupancy 0.4 <= existing 0.600001 Skipped atom 369, because occupancy 0.4 <= existing 0.600001 Skipped atom 371, because occupancy 0.4 <= existing 0.600001 Skipped atom 373, because occupancy 0.4 <= existing 0.600001 Skipped atom 375, because occupancy 0.4 <= existing 0.600001 Skipped atom 1228, because occupancy 0.5 <= existing 0.500001 Skipped atom 1230, because occupancy 0.5 <= existing 0.500001 Skipped atom 1232, because occupancy 0.5 <= existing 0.500001 Skipped atom 1234, because occupancy 0.5 <= existing 0.500001 Skipped atom 1236, because occupancy 0.5 <= existing 0.500001 Skipped atom 1238, because occupancy 0.5 <= existing 0.500001 Skipped atom 1240, because occupancy 0.5 <= existing 0.500001 # found chain 1ilk in template set T0187 73 :TTSLDCEAR 1ilk 84 :DPDIKAHVN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43359 Ang D6.CG and R10.NH1 other bump:1.36746 Ang D6.OD1 and R10.NH1 other bump:2.82543 Ang D6.CG and R10.CZ other bump:2.76588 Ang D6.OD2 and R10.CZ other bump:2.20386 Ang D6.OD1 and R10.CZ neighbor-bump: 2.75559 Ang G1.C and T2.CG2 neighbor-bump: 2.15873 Ang G1.O and T2.CG2 Number of specific fragments= 1 total=1840 # 2dkb.73.79 read from T0187.t2k.frag # adding 2dkb to template set 2dkb:Bad short name: N1 for alphabet: pdb_atoms Bad short name: C2 for alphabet: pdb_atoms Bad short name: C2A for alphabet: pdb_atoms Bad short name: C3 for alphabet: pdb_atoms Bad short name: O3 for alphabet: pdb_atoms Bad short name: C4 for alphabet: pdb_atoms Bad short name: C4A for alphabet: pdb_atoms Bad short name: C5 for alphabet: pdb_atoms Bad short name: C6 for alphabet: pdb_atoms Bad short name: C5A for alphabet: pdb_atoms Bad short name: OP4 for alphabet: pdb_atoms Bad short name: P for alphabet: pdb_atoms Bad short name: OP1 for alphabet: pdb_atoms Bad short name: OP2 for alphabet: pdb_atoms Bad short name: OP3 for alphabet: pdb_atoms # found chain 2dkb in template set T0187 73 :TTSLDCEAR 2dkb 80 :SEMLSRPVV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87973 Ang D6.OD1 and E8.OE1 Number of specific fragments= 1 total=1841 # 2bjxA.73.77 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 73 :TTSLDCEAR 2bjxA 196 :RNNFEGEVT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C7.CA and C7.CB neighbor-bump: 2.03306 Ang T3.O and S4.OG neighbor-bump: 2.76983 Ang T3.C and S4.OG Number of specific fragments= 1 total=1842 # 1bjx.73.77 read from T0187.t2k.frag # found chain 1bjx in template set T0187 73 :TTSLDCEAR 1bjx 196 :RNNFEGEVT Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C7.CA and C7.CB neighbor-bump: 2.03306 Ang T3.O and S4.OG neighbor-bump: 2.76983 Ang T3.C and S4.OG Number of specific fragments= 1 total=1843 # 1ilk.74.75 read from T0187.t2k.frag # found chain 1ilk in template set T0187 74 :TSLDCEARE 1ilk 85 :PDIKAHVNS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43359 Ang D5.CG and R9.NH1 other bump:1.36748 Ang D5.OD1 and R9.NH1 other bump:2.82545 Ang D5.CG and R9.CZ other bump:2.20388 Ang D5.OD1 and R9.CZ other bump:2.76588 Ang D5.OD2 and R9.CZ Number of specific fragments= 1 total=1844 # 2dkb.74.80 read from T0187.t2k.frag # found chain 2dkb in template set T0187 74 :TSLDCEARE 2dkb 81 :EMLSRPVVD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87973 Ang D5.OD1 and E7.OE1 Number of specific fragments= 1 total=1845 # 1kid.74.78 read from T0187.t2k.frag # found chain 1kid in training set T0187 74 :TSLDCEARE 1kid 252 :EDVEGEALA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47506 Ang C6.CB and E7.N self-bump: 1.32261 Ang C6.CA and C6.CB Number of specific fragments= 1 total=1846 # 2bjxA.74.78 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 74 :TSLDCEARE 2bjxA 197 :NNFEGEVTK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C6.CA and C6.CB neighbor-bump: 2.03306 Ang T2.O and S3.OG neighbor-bump: 2.76983 Ang T2.C and S3.OG Number of specific fragments= 1 total=1847 # 1bjx.74.78 read from T0187.t2k.frag # found chain 1bjx in template set T0187 74 :TSLDCEARE 1bjx 197 :NNFEGEVTK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C6.CA and C6.CB neighbor-bump: 2.03306 Ang T2.O and S3.OG neighbor-bump: 2.76983 Ang T2.C and S3.OG Number of specific fragments= 1 total=1848 # 1a17.74.78 read from T0187.t2k.frag # found chain 1a17 in template set T0187 74 :TSLDCEARE 1a17 94 :KYIKGYYRR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1849 # 1ilk.75.76 read from T0187.t2k.frag # found chain 1ilk in template set T0187 75 :SLDCEAREA 1ilk 86 :DIKAHVNSL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.43359 Ang D4.CG and R8.NH1 other bump:1.36748 Ang D4.OD1 and R8.NH1 other bump:2.76588 Ang D4.OD2 and R8.CZ other bump:2.82544 Ang D4.CG and R8.CZ other bump:2.20387 Ang D4.OD1 and R8.CZ Number of specific fragments= 1 total=1850 # 2dkb.75.81 read from T0187.t2k.frag # found chain 2dkb in template set T0187 75 :SLDCEAREA 2dkb 82 :MLSRPVVDL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87973 Ang D4.OD1 and E6.OE1 Number of specific fragments= 1 total=1851 # 1lvfA.75.76 read from T0187.t2k.frag # adding 1lvfA to template set 1lvfA:# found chain 1lvfA in template set T0187 75 :SLDCEAREA 1lvfA 77 :KFNLDATEL Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.55149 Ang C5.CA and C5.SG neighbor-bump: 2.66546 Ang L3.C and D4.CB Number of specific fragments= 1 total=1852 # 1bjx.75.79 read from T0187.t2k.frag # found chain 1bjx in template set T0187 75 :SLDCEAREA 1bjx 198 :NFEGEVTKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C5.CA and C5.CB Number of specific fragments= 1 total=1853 # 2bjxA.75.79 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 75 :SLDCEAREA 2bjxA 198 :NFEGEVTKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C5.CA and C5.CB Number of specific fragments= 1 total=1854 # 1d7uA.75.81 read from T0187.t2k.frag # adding 1d7uA to template set 1d7uA:# found chain 1d7uA in template set T0187 75 :SLDCEAREA 1d7uA 82 :MLSRPVVDL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1855 # 1ilk.76.77 read from T0187.t2k.frag # found chain 1ilk in template set T0187 76 :LDCEAREAG 1ilk 87 :IKAHVNSLG Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4336 Ang D3.CG and R7.NH1 other bump:1.36748 Ang D3.OD1 and R7.NH1 other bump:2.82544 Ang D3.CG and R7.CZ other bump:2.20388 Ang D3.OD1 and R7.CZ other bump:2.76588 Ang D3.OD2 and R7.CZ Number of specific fragments= 1 total=1856 # 2dkb.76.82 read from T0187.t2k.frag # found chain 2dkb in template set T0187 76 :LDCEAREAG 2dkb 83 :LSRPVVDLA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.87973 Ang D3.OD1 and E5.OE1 Number of specific fragments= 1 total=1857 # 1lvfA.76.77 read from T0187.t2k.frag # found chain 1lvfA in template set T0187 76 :LDCEAREAG 1lvfA 78 :FNLDATELS Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 2.55149 Ang C4.CA and C4.SG neighbor-bump: 2.66546 Ang L2.C and D3.CB Number of specific fragments= 1 total=1858 # 1d7uA.76.82 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 76 :LDCEAREAG 1d7uA 83 :LSRPVVDLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1859 # 1bjx.76.80 read from T0187.t2k.frag # found chain 1bjx in template set T0187 76 :LDCEAREAG 1bjx 199 :FEGEVTKEN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C4.CA and C4.CB Number of specific fragments= 1 total=1860 # 2bjxA.76.80 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 76 :LDCEAREAG 2bjxA 199 :FEGEVTKEN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C4.CA and C4.CB Number of specific fragments= 1 total=1861 # 2dkb.77.83 read from T0187.t2k.frag # found chain 2dkb in template set T0187 77 :DCEAREAGR 2dkb 84 :SRPVVDLAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1862 # 1ilk.77.78 read from T0187.t2k.frag # found chain 1ilk in template set T0187 77 :DCEAREAGR 1ilk 88 :KAHVNSLGE Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.4079 Ang D2.CG and R6.NH1 other bump:1.52333 Ang D2.OD2 and R6.NH1 other bump:2.93133 Ang D2.CG and R6.CZ other bump:2.6465 Ang D2.OD1 and R6.CZ other bump:2.5146 Ang D2.OD2 and R6.CZ Number of specific fragments= 1 total=1863 # 1d7uA.77.83 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 77 :DCEAREAGR 1d7uA 84 :SRPVVDLAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1864 # 1lvfA.77.78 read from T0187.t2k.frag # found chain 1lvfA in template set T0187 77 :DCEAREAGR 1lvfA 79 :NLDATELSI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1865 # 1dm1A.77.77 read from T0187.t2k.frag # adding 1dm1A to template set 1dm1A:# found chain 1dm1A in template set T0187 77 :DCEAREAGR 1dm1A 78 :AANAGKMSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1866 # 2bjxA.77.81 read from T0187.t2k.frag # found chain 2bjxA in template set T0187 77 :DCEAREAGR 2bjxA 200 :EGEVTKENL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.24445 Ang C3.CA and C3.CB self-bump: 2.20338 Ang D2.CB and D2.C self-bump: 1.25247 Ang D2.CA and D2.CB Number of specific fragments= 1 total=1867 # 1ilk.78.79 read from T0187.t2k.frag # found chain 1ilk in template set T0187 78 :CEAREAGRF 1ilk 89 :AHVNSLGEN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1868 # 2dkb.78.84 read from T0187.t2k.frag # found chain 2dkb in template set T0187 78 :CEAREAGRF 2dkb 85 :RPVVDLATR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1869 # 1dm1A.78.78 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 78 :CEAREAGRF 1dm1A 79 :ANAGKMSAM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.32597 Ang E6.OE2 and F10.CZ other bump:2.87359 Ang E6.CG and F10.CZ other bump:3.01545 Ang E6.CG and F10.CE2 other bump:2.33261 Ang E6.OE2 and F10.CE1 Number of specific fragments= 1 total=1870 # 1d7uA.78.84 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 78 :CEAREAGRF 1d7uA 85 :RPVVDLATR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1871 # 2fal.78.79 read from T0187.t2k.frag # adding 2fal to template set 2fal:Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X Bad short name: ACE for alphabet: ExtAA Replacing ACE with X # found chain 2fal in template set T0187 78 :CEAREAGRF 2fal 79 :ANAGKMSAM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1872 # 1d7uA.78.80 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 78 :CEAREAGRF 1d7uA 81 :GMLSRPVVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1873 # 1ilk.79.80 read from T0187.t2k.frag # found chain 1ilk in template set T0187 79 :EAREAGRFI 1ilk 90 :HVNSLGENL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1874 # 2dkb.79.85 read from T0187.t2k.frag # found chain 2dkb in template set T0187 79 :EAREAGRFI 2dkb 86 :PVVDLATRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1875 # 1dm1A.79.79 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 79 :EAREAGRFI 1dm1A 80 :NAGKMSAML Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65795 Ang E5.CG and F9.CE1 Number of specific fragments= 1 total=1876 # 2fal.79.80 read from T0187.t2k.frag # found chain 2fal in template set T0187 79 :EAREAGRFI 2fal 80 :NAGKMSAML Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62938 Ang E5.O and F9.CD1 Number of specific fragments= 1 total=1877 # 1d7uA.79.85 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 79 :EAREAGRFI 1d7uA 86 :PVVDLATRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1878 # 1mba.79.80 read from T0187.t2k.frag # found chain 1mba in training set T0187 79 :EAREAGRFI 1mba 80 :NAGKMSAML Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1879 # 1ilk.80.81 read from T0187.t2k.frag # found chain 1ilk in template set T0187 80 :AREAGRFIA 1ilk 91 :VNSLGENLK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1880 # 2dkb.80.86 read from T0187.t2k.frag # found chain 2dkb in template set T0187 80 :AREAGRFIA 2dkb 87 :VVDLATRLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1881 # 1dm1A.80.80 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 80 :AREAGRFIA 1dm1A 81 :AGKMSAMLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65795 Ang E4.CG and F8.CE1 Number of specific fragments= 1 total=1882 # 2fal.80.81 read from T0187.t2k.frag # found chain 2fal in template set T0187 80 :AREAGRFIA 2fal 81 :AGKMSAMLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62938 Ang E4.O and F8.CD1 Number of specific fragments= 1 total=1883 # 1d7uA.80.86 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 80 :AREAGRFIA 1d7uA 87 :VVDLATRLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1884 # 1dk8A.80.83 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 80 :AREAGRFIA 1dk8A 194 :SRQTKPATK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1885 # 1ilk.81.82 read from T0187.t2k.frag # found chain 1ilk in template set T0187 81 :REAGRFIAS 1ilk 92 :NSLGENLKT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1886 # 2dkb.81.87 read from T0187.t2k.frag # found chain 2dkb in template set T0187 81 :REAGRFIAS 2dkb 88 :VDLATRLAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1887 # 1dm1A.81.81 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 81 :REAGRFIAS 1dm1A 82 :GKMSAMLSQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65795 Ang E3.CG and F7.CE1 Number of specific fragments= 1 total=1888 # 2fal.81.82 read from T0187.t2k.frag # found chain 2fal in template set T0187 81 :REAGRFIAS 2fal 82 :GKMSAMLSQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62938 Ang E3.O and F7.CD1 Number of specific fragments= 1 total=1889 # 1d7uA.81.87 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 81 :REAGRFIAS 1d7uA 88 :VDLATRLAN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1890 # 1dk8A.81.84 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 81 :REAGRFIAS 1dk8A 195 :RQTKPATKS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1891 # 1ilk.82.83 read from T0187.t2k.frag # found chain 1ilk in template set T0187 82 :EAGRFIASI 1ilk 93 :SLGENLKTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1892 # 2dkb.82.88 read from T0187.t2k.frag # found chain 2dkb in template set T0187 82 :EAGRFIASI 2dkb 89 :DLATRLANI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1893 # 1dm1A.82.82 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 82 :EAGRFIASI 1dm1A 83 :KMSAMLSQF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65795 Ang E2.CG and F6.CE1 Number of specific fragments= 1 total=1894 # 2fal.82.83 read from T0187.t2k.frag # found chain 2fal in template set T0187 82 :EAGRFIASI 2fal 83 :KMSAMLSQF Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62938 Ang E2.O and F6.CD1 Number of specific fragments= 1 total=1895 # 1dk8A.82.85 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 82 :EAGRFIASI 1dk8A 196 :QTKPATKSF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1896 # 1d7uA.82.88 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 82 :EAGRFIASI 1d7uA 89 :DLATRLANI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1897 # 1ilk.83.84 read from T0187.t2k.frag # found chain 1ilk in template set T0187 83 :AGRFIASIM 1ilk 94 :LGENLKTLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1898 # 1dm1A.83.83 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 83 :AGRFIASIM 1dm1A 84 :MSAMLSQFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1899 # 2dkb.83.89 read from T0187.t2k.frag # found chain 2dkb in template set T0187 83 :AGRFIASIM 2dkb 90 :LATRLANIT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1900 # 1dk8A.83.86 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 83 :AGRFIASIM 1dk8A 197 :TKPATKSFI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1901 # 2fal.83.84 read from T0187.t2k.frag # found chain 2fal in template set T0187 83 :AGRFIASIM 2fal 84 :MSAMLSQFA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62938 Ang G1.O and F5.CD1 Number of specific fragments= 1 total=1902 # 1mba.83.84 read from T0187.t2k.frag # found chain 1mba in training set T0187 83 :AGRFIASIM 1mba 84 :MSAMLSQFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1903 # 1dm1A.84.84 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 84 :GRFIASIMK 1dm1A 85 :SAMLSQFAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1904 # 1ilk.84.85 read from T0187.t2k.frag # found chain 1ilk in template set T0187 84 :GRFIASIMK 1ilk 95 :GENLKTLRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1905 # 2fal.84.85 read from T0187.t2k.frag # found chain 2fal in template set T0187 84 :GRFIASIMK 2fal 85 :SAMLSQFAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1906 # 2dkb.84.90 read from T0187.t2k.frag # found chain 2dkb in template set T0187 84 :GRFIASIMK 2dkb 91 :ATRLANITP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1907 # 1dk8A.84.87 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 84 :GRFIASIMK 1dk8A 198 :KPATKSFIK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1908 # 1mba.84.85 read from T0187.t2k.frag # found chain 1mba in training set T0187 84 :GRFIASIMK 1mba 85 :SAMLSQFAK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1909 # 1dm1A.85.85 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 85 :RFIASIMKE 1dm1A 86 :AMLSQFAKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1910 # 2fal.85.86 read from T0187.t2k.frag # found chain 2fal in template set T0187 85 :RFIASIMKE 2fal 86 :AMLSQFAKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1911 # 1dk8A.85.88 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 85 :RFIASIMKE 1dk8A 199 :PATKSFIKG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1912 # 1ilk.85.86 read from T0187.t2k.frag # found chain 1ilk in template set T0187 85 :RFIASIMKE 1ilk 96 :ENLKTLRLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1913 # 1mba.85.86 read from T0187.t2k.frag # found chain 1mba in training set T0187 85 :RFIASIMKE 1mba 86 :AMLSQFAKE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1914 # 1azwA.85.86 read from T0187.t2k.frag # adding 1azwA to template set 1azwA:# found chain 1azwA in template set T0187 85 :RFIASIMKE 1azwA 87 :DLVADIERL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1915 # 1dm1A.86.86 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 86 :FIASIMKEV 1dm1A 87 :MLSQFAKEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1916 # 2fal.86.87 read from T0187.t2k.frag # found chain 2fal in template set T0187 86 :FIASIMKEV 2fal 87 :MLSQFAKEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1917 # 1dk8A.86.89 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 86 :FIASIMKEV 1dk8A 200 :ATKSFIKGC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1918 # 1ilk.86.87 read from T0187.t2k.frag # found chain 1ilk in template set T0187 86 :FIASIMKEV 1ilk 97 :NLKTLRLRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1919 # 1azwA.86.87 read from T0187.t2k.frag # found chain 1azwA in template set T0187 86 :FIASIMKEV 1azwA 88 :LVADIERLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1920 # 1mba.86.87 read from T0187.t2k.frag # found chain 1mba in training set T0187 86 :FIASIMKEV 1mba 87 :MLSQFAKEH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1921 # 1dm1A.87.87 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 87 :IASIMKEVK 1dm1A 88 :LSQFAKEHV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1922 # 1dk8A.87.90 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 87 :IASIMKEVK 1dk8A 201 :TKSFIKGCI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1923 # 2fal.87.88 read from T0187.t2k.frag # found chain 2fal in template set T0187 87 :IASIMKEVK 2fal 88 :LSQFAKEHV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1924 # 1azwA.87.88 read from T0187.t2k.frag # found chain 1azwA in template set T0187 87 :IASIMKEVK 1azwA 89 :VADIERLRT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1925 # 1ilk.87.88 read from T0187.t2k.frag # found chain 1ilk in template set T0187 87 :IASIMKEVK 1ilk 98 :LKTLRLRLR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1926 # 1mba.87.88 read from T0187.t2k.frag # found chain 1mba in training set T0187 87 :IASIMKEVK 1mba 88 :LSQFAKEHV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1927 # 1dm1A.88.88 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 88 :ASIMKEVKF 1dm1A 89 :SQFAKEHVG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17745 Ang K6.C and F10.CZ other bump:2.95463 Ang K6.CB and F10.CZ other bump:2.52475 Ang K6.CA and F10.CE2 other bump:1.76293 Ang K6.O and F10.CE2 other bump:1.87924 Ang K6.C and F10.CE2 other bump:2.71128 Ang E7.N and F10.CE2 other bump:2.49604 Ang K6.CB and F10.CE2 other bump:3.14389 Ang E7.C and F10.CD2 other bump:2.77602 Ang E7.CA and F10.CD2 other bump:1.31168 Ang K6.O and F10.CD2 other bump:2.09215 Ang K6.C and F10.CD2 other bump:2.70558 Ang E7.N and F10.CD2 other bump:2.47456 Ang K6.O and F10.CG Number of specific fragments= 1 total=1928 # 1dk8A.88.91 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 88 :ASIMKEVKF 1dk8A 202 :KSFIKGCIM Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.07393 Ang K6.CG and F10.CZ other bump:2.31096 Ang K6.CG and F10.CE2 other bump:2.76149 Ang K6.CD and F10.CE2 other bump:3.00696 Ang K6.CG and F10.CD2 Number of specific fragments= 1 total=1929 # 2fal.88.89 read from T0187.t2k.frag # found chain 2fal in template set T0187 88 :ASIMKEVKF 2fal 89 :SQFAKEHVG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02501 Ang K6.CA and F10.CE2 other bump:1.91398 Ang K6.O and F10.CE2 other bump:2.56037 Ang K6.C and F10.CE2 other bump:3.04081 Ang K6.CB and F10.CE2 other bump:1.5553 Ang K6.O and F10.CD2 other bump:2.66406 Ang K6.C and F10.CD2 other bump:3.05876 Ang M5.CE and K9.NZ Number of specific fragments= 1 total=1930 # 1azwA.88.89 read from T0187.t2k.frag # found chain 1azwA in template set T0187 88 :ASIMKEVKF 1azwA 90 :ADIERLRTH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1931 # 1d7uA.88.90 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 88 :ASIMKEVKF 1d7uA 91 :ATRLANITP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1932 # 1eqfA.88.91 read from T0187.t2k.frag # adding 1eqfA to template set 1eqfA:# found chain 1eqfA in template set T0187 88 :ASIMKEVKF 1eqfA 1450 :ELIVKNSAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1933 # 1dm1A.89.89 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 89 :SIMKEVKFK 1dm1A 90 :QFAKEHVGF Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.17746 Ang K5.C and F9.CZ other bump:2.95464 Ang K5.CB and F9.CZ other bump:1.76294 Ang K5.O and F9.CE2 other bump:1.87925 Ang K5.C and F9.CE2 other bump:2.52476 Ang K5.CA and F9.CE2 other bump:2.49605 Ang K5.CB and F9.CE2 other bump:2.71129 Ang E6.N and F9.CE2 other bump:2.77602 Ang E6.CA and F9.CD2 other bump:3.14389 Ang E6.C and F9.CD2 other bump:1.31168 Ang K5.O and F9.CD2 other bump:2.09215 Ang K5.C and F9.CD2 other bump:2.70558 Ang E6.N and F9.CD2 other bump:2.47457 Ang K5.O and F9.CG Number of specific fragments= 1 total=1934 # 1dk8A.89.92 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 89 :SIMKEVKFK 1dk8A 203 :SFIKGCIMK Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68282 Ang K5.CG and F9.CZ other bump:2.99481 Ang K5.CB and F9.CE2 other bump:1.79367 Ang K5.CG and F9.CE2 other bump:2.84111 Ang K5.CD and F9.CE2 other bump:2.75441 Ang K5.O and F9.CE2 other bump:3.16395 Ang K5.C and F9.CE2 other bump:2.80338 Ang K5.CG and F9.CD2 other bump:2.09814 Ang K5.O and F9.CD2 other bump:2.89144 Ang K5.C and F9.CD2 Number of specific fragments= 1 total=1935 # 2fal.89.90 read from T0187.t2k.frag # found chain 2fal in template set T0187 89 :SIMKEVKFK 2fal 90 :QFAKEHVGF Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02501 Ang K5.CA and F9.CE2 other bump:3.04082 Ang K5.CB and F9.CE2 other bump:1.91398 Ang K5.O and F9.CE2 other bump:2.56038 Ang K5.C and F9.CE2 other bump:1.55531 Ang K5.O and F9.CD2 other bump:2.66407 Ang K5.C and F9.CD2 other bump:3.05877 Ang M4.CE and K8.NZ Number of specific fragments= 1 total=1936 # 1azwA.89.90 read from T0187.t2k.frag # found chain 1azwA in template set T0187 89 :SIMKEVKFK 1azwA 91 :DIERLRTHL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1937 # 2dkb.89.91 read from T0187.t2k.frag # found chain 2dkb in template set T0187 89 :SIMKEVKFK 2dkb 92 :TRLANITPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1938 # 1d7uA.89.91 read from T0187.t2k.frag # found chain 1d7uA in template set T0187 89 :SIMKEVKFK 1d7uA 92 :TRLANITPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1939 # 1dk8A.90.93 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 90 :IMKEVKFKD 1dk8A 204 :FIKGCIMKQ Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68282 Ang K4.CG and F8.CZ other bump:2.99481 Ang K4.CB and F8.CE2 other bump:1.79367 Ang K4.CG and F8.CE2 other bump:2.84111 Ang K4.CD and F8.CE2 other bump:2.75441 Ang K4.O and F8.CE2 other bump:3.16395 Ang K4.C and F8.CE2 other bump:2.80338 Ang K4.CG and F8.CD2 other bump:2.09814 Ang K4.O and F8.CD2 other bump:2.89144 Ang K4.C and F8.CD2 Number of specific fragments= 1 total=1940 # 1dm1A.90.90 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 90 :IMKEVKFKD 1dm1A 91 :FAKEHVGFG Fragment has 13 clashes (null) has 13 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95464 Ang K4.CB and F8.CZ other bump:3.17746 Ang K4.C and F8.CZ other bump:2.52476 Ang K4.CA and F8.CE2 other bump:2.49605 Ang K4.CB and F8.CE2 other bump:1.76294 Ang K4.O and F8.CE2 other bump:1.87925 Ang K4.C and F8.CE2 other bump:2.71129 Ang E5.N and F8.CE2 other bump:2.77602 Ang E5.CA and F8.CD2 other bump:3.14389 Ang E5.C and F8.CD2 other bump:1.31168 Ang K4.O and F8.CD2 other bump:2.09215 Ang K4.C and F8.CD2 other bump:2.70558 Ang E5.N and F8.CD2 other bump:2.47457 Ang K4.O and F8.CG Number of specific fragments= 1 total=1941 # 1ap7.90.90 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 90 :IMKEVKFKD 1ap7 91 :TLKVLVEHG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33948 Ang K9.O and D10.CG other bump:3.1014 Ang K4.CB and F8.CE2 other bump:2.69898 Ang M3.O and K7.CB Number of specific fragments= 1 total=1942 # 1azwA.90.91 read from T0187.t2k.frag # found chain 1azwA in template set T0187 90 :IMKEVKFKD 1azwA 92 :IERLRTHLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1943 # 2fal.90.91 read from T0187.t2k.frag # found chain 2fal in template set T0187 90 :IMKEVKFKD 2fal 91 :FAKEHVGFG Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.02501 Ang K4.CA and F8.CE2 other bump:3.04082 Ang K4.CB and F8.CE2 other bump:1.91398 Ang K4.O and F8.CE2 other bump:2.56038 Ang K4.C and F8.CE2 other bump:1.55531 Ang K4.O and F8.CD2 other bump:2.66407 Ang K4.C and F8.CD2 other bump:3.05878 Ang M3.CE and K7.NZ Number of specific fragments= 1 total=1944 # 2dkb.90.92 read from T0187.t2k.frag # found chain 2dkb in template set T0187 90 :IMKEVKFKD 2dkb 93 :RLANITPPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1945 # 1dk8A.91.94 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 91 :MKEVKFKDR 1dk8A 205 :IKGCIMKQL Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16403 Ang V5.CG1 and R10.C other bump:2.12556 Ang V5.CG1 and R10.O self-bump: 1.3848 Ang R10.CA and R10.CB other bump:2.68282 Ang K3.CG and F7.CZ other bump:2.99481 Ang K3.CB and F7.CE2 other bump:1.79367 Ang K3.CG and F7.CE2 other bump:2.84111 Ang K3.CD and F7.CE2 other bump:2.75441 Ang K3.O and F7.CE2 other bump:3.16395 Ang K3.C and F7.CE2 other bump:2.80338 Ang K3.CG and F7.CD2 other bump:2.09814 Ang K3.O and F7.CD2 other bump:2.89144 Ang K3.C and F7.CD2 Number of specific fragments= 1 total=1946 # 1ap7.91.91 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 91 :MKEVKFKDR 1ap7 92 :LKVLVEHGA Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.37444 Ang V5.CG2 and R10.NH2 other bump:1.55379 Ang V5.CB and R10.NH2 other bump:1.90378 Ang V5.CG1 and R10.NH2 other bump:2.96158 Ang V5.CG2 and R10.NH1 other bump:2.22059 Ang V5.CB and R10.NH1 other bump:2.94169 Ang V5.CG1 and R10.NH1 other bump:2.45781 Ang V5.CG2 and R10.CZ other bump:1.72517 Ang V5.CB and R10.CZ other bump:1.87696 Ang V5.CG1 and R10.CZ other bump:3.15723 Ang V5.CA and R10.CZ other bump:2.61415 Ang V5.CB and R10.NE other bump:1.88538 Ang V5.CG1 and R10.NE other bump:3.03133 Ang V5.CG1 and R10.CD other bump:2.88877 Ang V5.CG1 and R10.CB neighbor-bump: 2.17447 Ang K8.O and D9.CG other bump:3.1014 Ang K3.CB and F7.CE2 other bump:2.69898 Ang M2.O and K6.CB Number of specific fragments= 1 total=1947 # 1dm1A.91.91 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 91 :MKEVKFKDR 1dm1A 92 :AKEHVGFGV Fragment has 17 clashes (null) has 17 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.77453 Ang K8.CE and R10.NH1 other bump:2.39621 Ang K8.NZ and R10.NH1 other bump:3.09981 Ang K8.CE and R10.CZ other bump:2.82176 Ang V5.CG1 and R10.CB other bump:3.17746 Ang K3.C and F7.CZ other bump:2.95464 Ang K3.CB and F7.CZ other bump:2.52476 Ang K3.CA and F7.CE2 other bump:1.76294 Ang K3.O and F7.CE2 other bump:1.87925 Ang K3.C and F7.CE2 other bump:2.71129 Ang E4.N and F7.CE2 other bump:2.49605 Ang K3.CB and F7.CE2 other bump:3.14389 Ang E4.C and F7.CD2 other bump:2.77602 Ang E4.CA and F7.CD2 other bump:1.31168 Ang K3.O and F7.CD2 other bump:2.09215 Ang K3.C and F7.CD2 other bump:2.70558 Ang E4.N and F7.CD2 other bump:2.47457 Ang K3.O and F7.CG Number of specific fragments= 1 total=1948 # 1azwA.91.92 read from T0187.t2k.frag # found chain 1azwA in template set T0187 91 :MKEVKFKDR 1azwA 93 :ERLRTHLGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1949 # 1eqfA.91.94 read from T0187.t2k.frag # found chain 1eqfA in template set T0187 91 :MKEVKFKDR 1eqfA 1453 :VKNSATYNG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36954 Ang D9.O and R10.CG neighbor-bump: 2.31119 Ang D9.O and R10.CB Number of specific fragments= 1 total=1950 # 2fal.91.92 read from T0187.t2k.frag # found chain 2fal in template set T0187 91 :MKEVKFKDR 2fal 92 :AKEHVGFGV Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15897 Ang K8.CE and R10.NH1 other bump:2.56437 Ang K8.NZ and R10.NH1 other bump:2.87129 Ang V5.CG1 and R10.CB other bump:3.02501 Ang K3.CA and F7.CE2 other bump:1.91398 Ang K3.O and F7.CE2 other bump:2.56038 Ang K3.C and F7.CE2 other bump:3.04082 Ang K3.CB and F7.CE2 other bump:1.55531 Ang K3.O and F7.CD2 other bump:2.66407 Ang K3.C and F7.CD2 other bump:3.05876 Ang M2.CE and K6.NZ Number of specific fragments= 1 total=1951 # 1dk8A.92.95 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 92 :KEVKFKDRP 1dk8A 206 :KGCIMKQLI Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.16403 Ang V4.CG1 and R9.C other bump:2.12556 Ang V4.CG1 and R9.O other bump:3.00246 Ang K7.CE and R9.NH2 other bump:2.68282 Ang K2.CG and F6.CZ other bump:2.84111 Ang K2.CD and F6.CE2 other bump:2.99481 Ang K2.CB and F6.CE2 other bump:1.79367 Ang K2.CG and F6.CE2 other bump:2.75441 Ang K2.O and F6.CE2 other bump:3.16395 Ang K2.C and F6.CE2 other bump:2.80338 Ang K2.CG and F6.CD2 other bump:2.09814 Ang K2.O and F6.CD2 other bump:2.89144 Ang K2.C and F6.CD2 Number of specific fragments= 1 total=1952 # 1ap7.92.92 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 92 :KEVKFKDRP 1ap7 93 :KVLVEHGAD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.10108 Ang V4.CG1 and R9.CD other bump:2.90657 Ang V4.CG1 and R9.CB neighbor-bump: 2.17447 Ang K7.O and D8.CG other bump:3.1014 Ang K2.CB and F6.CE2 other bump:2.69898 Ang G1.O and K5.CB Number of specific fragments= 1 total=1953 # 1azwA.92.93 read from T0187.t2k.frag # found chain 1azwA in template set T0187 92 :KEVKFKDRP 1azwA 94 :RLRTHLGVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1954 # 2dkb.92.94 read from T0187.t2k.frag # found chain 2dkb in template set T0187 92 :KEVKFKDRP 2dkb 95 :ANITPPGLD Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.85416 Ang K2.CE and G11.CA other bump:2.15072 Ang K2.NZ and G11.CA other bump:2.68389 Ang K2.CE and G11.N other bump:2.65958 Ang K2.CG and P10.C other bump:2.59638 Ang K2.CD and P10.C other bump:1.88624 Ang K2.CE and P10.C other bump:2.5296 Ang K2.NZ and P10.C other bump:1.9633 Ang K2.CG and P10.O other bump:1.47116 Ang K2.CD and P10.O other bump:0.849412 Ang K2.CE and P10.O other bump:1.79507 Ang K2.NZ and P10.O other bump:3.26956 Ang K2.CD and P10.CA Number of specific fragments= 1 total=1955 # 1dm1A.92.92 read from T0187.t2k.frag # found chain 1dm1A in template set T0187 92 :KEVKFKDRP 1dm1A 93 :KEHVGFGVG Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.95939 Ang V4.CG2 and R9.NH2 other bump:2.85335 Ang V4.CG2 and R9.CZ other bump:2.74606 Ang V4.CG1 and R9.CZ other bump:2.61979 Ang V4.CG1 and R9.NE other bump:3.11437 Ang V4.CG1 and R9.CG other bump:2.85686 Ang V4.CG1 and R9.CB other bump:3.17746 Ang K2.C and F6.CZ other bump:2.95464 Ang K2.CB and F6.CZ other bump:1.76294 Ang K2.O and F6.CE2 other bump:1.87925 Ang K2.C and F6.CE2 other bump:2.52476 Ang K2.CA and F6.CE2 other bump:2.49605 Ang K2.CB and F6.CE2 other bump:2.71129 Ang E3.N and F6.CE2 other bump:2.77602 Ang E3.CA and F6.CD2 other bump:3.14389 Ang E3.C and F6.CD2 other bump:1.31168 Ang K2.O and F6.CD2 other bump:2.09215 Ang K2.C and F6.CD2 other bump:2.70558 Ang E3.N and F6.CD2 other bump:2.47457 Ang K2.O and F6.CG Number of specific fragments= 1 total=1956 # 1eqfA.92.95 read from T0187.t2k.frag # found chain 1eqfA in template set T0187 92 :KEVKFKDRP 1eqfA 1454 :KNSATYNGP Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.36954 Ang D8.O and R9.CG neighbor-bump: 2.31119 Ang D8.O and R9.CB Number of specific fragments= 1 total=1957 # 1dk8A.93.96 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 93 :EVKFKDRPL 1dk8A 207 :GCIMKQLID Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89641 Ang D7.C and P9.CD other bump:3.16403 Ang V3.CG1 and R8.C other bump:2.12556 Ang V3.CG1 and R8.O other bump:3.00246 Ang K6.CE and R8.NH2 other bump:2.75441 Ang G1.O and F5.CE2 other bump:3.16395 Ang G1.C and F5.CE2 other bump:2.09814 Ang G1.O and F5.CD2 other bump:2.89144 Ang G1.C and F5.CD2 Number of specific fragments= 1 total=1958 # 1ap7.93.93 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 93 :EVKFKDRPL 1ap7 94 :VLVEHGADV Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40452 Ang K4.CB and L10.CD1 other bump:2.89558 Ang K4.CA and L10.CD1 other bump:1.23542 Ang K4.CG and L10.CD1 other bump:2.33343 Ang K4.CD and L10.CD1 other bump:2.63939 Ang K4.CE and L10.CD1 other bump:2.68326 Ang K4.CG and L10.CG other bump:3.10109 Ang V3.CG1 and R8.CD other bump:2.90657 Ang V3.CG1 and R8.CB neighbor-bump: 2.17447 Ang K6.O and D7.CG Number of specific fragments= 1 total=1959 # 1af3.93.95 read from T0187.t2k.frag # adding 1af3 to template set 1af3:# found chain 1af3 in template set T0187 93 :EVKFKDRPL 1af3 96 :EFELRYRRA Fragment has 22 clashes (null) has 22 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:0.492429 Ang D7.OD1 and L10.CD2 other bump:2.31604 Ang D7.OD2 and L10.CD2 other bump:1.43621 Ang D7.CG and L10.CD2 other bump:3.0437 Ang D7.CA and L10.CD2 other bump:2.54518 Ang D7.CB and L10.CD2 other bump:2.25574 Ang D7.OD1 and L10.CD1 other bump:1.35483 Ang D7.OD2 and L10.CD1 other bump:1.10013 Ang D7.CG and L10.CD1 other bump:2.57411 Ang D7.O and L10.CD1 other bump:2.59448 Ang D7.CA and L10.CD1 other bump:1.30976 Ang D7.CB and L10.CD1 other bump:1.13616 Ang D7.OD1 and L10.CG other bump:1.50458 Ang D7.OD2 and L10.CG other bump:0.959833 Ang D7.CG and L10.CG other bump:2.89483 Ang D7.C and L10.CG other bump:2.96412 Ang D7.CA and L10.CG other bump:2.24864 Ang D7.CB and L10.CG other bump:2.35132 Ang D7.OD1 and L10.CB other bump:1.73171 Ang D7.OD2 and L10.CB other bump:2.2086 Ang D7.CG and L10.CB other bump:2.99733 Ang E2.CG and K6.CE other bump:2.55295 Ang G1.O and F5.CD1 Number of specific fragments= 1 total=1960 # 1azwA.93.94 read from T0187.t2k.frag # found chain 1azwA in template set T0187 93 :EVKFKDRPL 1azwA 95 :LRTHLGVDR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1961 # 2dkb.93.95 read from T0187.t2k.frag # found chain 2dkb in template set T0187 93 :EVKFKDRPL 2dkb 96 :NITPPGLDR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1962 # 1nzyA.93.94 read from T0187.t2k.frag # adding 1nzyA to template set 1nzyA:Skipped atom 910, because occupancy 0.5 <= existing 0.500001 # found chain 1nzyA in template set T0187 93 :EVKFKDRPL 1nzyA 95 :KIIRVKRPV Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.5251 Ang V3.CG2 and L10.CD2 other bump:2.53562 Ang E2.OE2 and K6.CD other bump:2.9755 Ang E2.CG and K6.CD other bump:2.73548 Ang E2.CD and K6.CG other bump:2.13625 Ang E2.OE2 and K6.CG other bump:3.05125 Ang E2.CG and K6.CG other bump:2.38024 Ang E2.O and K6.CG Number of specific fragments= 1 total=1963 # 1ap7.94.94 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 94 :VKFKDRPLK 1ap7 95 :LVEHGADVN Fragment has 12 clashes (null) has 12 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59268 Ang K3.CA and L9.CD2 other bump:2.19939 Ang K3.CB and L9.CD2 other bump:3.06236 Ang K3.C and L9.CD2 other bump:1.18996 Ang K3.CG and L9.CD2 other bump:2.45635 Ang K3.CD and L9.CD2 other bump:2.88091 Ang K3.CE and L9.CD2 other bump:2.43356 Ang K3.CG and L9.CG other bump:3.11487 Ang K3.CD and L9.CG other bump:2.73671 Ang K3.CE and L9.CG other bump:3.10108 Ang V2.CG1 and R7.CD other bump:2.90657 Ang V2.CG1 and R7.CB neighbor-bump: 2.17447 Ang K5.O and D6.CG Number of specific fragments= 1 total=1964 # 1dk8A.94.97 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 94 :VKFKDRPLK 1dk8A 208 :CIMKQLIDP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89641 Ang D6.C and P8.CD other bump:3.16403 Ang V2.CG1 and R7.C other bump:2.12556 Ang V2.CG1 and R7.O other bump:3.00246 Ang K5.CE and R7.NH2 Number of specific fragments= 1 total=1965 # 1l6wA.94.98 read from T0187.t2k.frag # adding 1l6wA to template set 1l6wA:# found chain 1l6wA in template set T0187 94 :VKFKDRPLK 1l6wA 99 :LKAEGIPTL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.50807 Ang V2.CG1 and R7.O Number of specific fragments= 1 total=1966 # 1af3.94.96 read from T0187.t2k.frag # found chain 1af3 in template set T0187 94 :VKFKDRPLK 1af3 97 :FELRYRRAF Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.14229 Ang D6.OD2 and L9.CD2 other bump:1.3791 Ang D6.CG and L9.CD2 other bump:0.665533 Ang D6.OD1 and L9.CD2 other bump:3.21091 Ang D6.CA and L9.CD2 other bump:2.57276 Ang D6.CB and L9.CD2 other bump:1.58629 Ang D6.OD2 and L9.CD1 other bump:1.13824 Ang D6.CG and L9.CD1 other bump:2.21197 Ang D6.OD1 and L9.CD1 other bump:2.334 Ang D6.O and L9.CD1 other bump:2.54554 Ang D6.C and L9.CD1 other bump:2.35779 Ang D6.CA and L9.CD1 other bump:1.19092 Ang D6.CB and L9.CD1 other bump:1.59548 Ang D6.OD2 and L9.CG other bump:0.968432 Ang D6.CG and L9.CG other bump:1.09109 Ang D6.OD1 and L9.CG other bump:2.79789 Ang D6.C and L9.CG other bump:2.87558 Ang D6.CA and L9.CG other bump:2.2114 Ang D6.CB and L9.CG other bump:1.71449 Ang D6.OD2 and L9.CB other bump:2.15544 Ang D6.CG and L9.CB other bump:2.31732 Ang D6.OD1 and L9.CB Number of specific fragments= 1 total=1967 # 1cg2A.94.97 read from T0187.t2k.frag # adding 1cg2A to template set 1cg2A:# found chain 1cg2A in template set T0187 94 :VKFKDRPLK 1cg2A 120 :GILAKAPFR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39777 Ang D6.CA and D6.CB Number of specific fragments= 1 total=1968 # 1avpA.94.94 read from T0187.t2k.frag # adding 1avpA to template set 1avpA:# found chain 1avpA in template set T0187 94 :VKFKDRPLK 1avpA 95 :SAIASSPDR Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.94666 Ang K3.NZ and G11.CA other bump:2.07984 Ang R7.NE and G11.CA other bump:2.35778 Ang R7.CZ and G11.CA other bump:2.30208 Ang R7.NH2 and G11.CA other bump:3.27115 Ang R7.CD and G11.CA other bump:2.27525 Ang R7.NE and G11.N other bump:3.15709 Ang R7.CZ and G11.N other bump:3.169 Ang R7.CG and G11.N other bump:3.16719 Ang R7.CD and G11.N other bump:1.88567 Ang F4.CE2 and K10.NZ other bump:1.55984 Ang F4.CZ and K10.NZ other bump:2.35558 Ang F4.CE1 and K10.NZ other bump:2.95588 Ang F4.CD2 and K10.CE other bump:2.3944 Ang F4.CE2 and K10.CE other bump:2.26622 Ang K3.CG and R7.NH2 other bump:1.78315 Ang K3.CD and R7.NH2 other bump:1.19554 Ang K3.CE and R7.NH2 other bump:0.826373 Ang K3.NZ and R7.NH2 other bump:2.55238 Ang K3.NZ and R7.NH1 other bump:2.45848 Ang K3.CG and R7.CZ other bump:2.30291 Ang K3.CE and R7.CZ other bump:1.66922 Ang K3.NZ and R7.CZ other bump:2.92489 Ang K3.CG and R7.NE other bump:2.52226 Ang K3.NZ and R7.NE Number of specific fragments= 1 total=1969 # 1ap7.95.95 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 95 :KFKDRPLKK 1ap7 96 :VEHGADVNA Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.66281 Ang K9.C and K10.O other bump:2.59268 Ang K2.CA and L8.CD2 other bump:2.19939 Ang K2.CB and L8.CD2 other bump:1.18995 Ang K2.CG and L8.CD2 other bump:3.06236 Ang K2.C and L8.CD2 other bump:2.8809 Ang K2.CE and L8.CD2 other bump:2.45634 Ang K2.CD and L8.CD2 other bump:2.43355 Ang K2.CG and L8.CG other bump:2.7367 Ang K2.CE and L8.CG other bump:3.11486 Ang K2.CD and L8.CG neighbor-bump: 2.17447 Ang K4.O and D5.CG Number of specific fragments= 1 total=1970 # 1dk8A.95.98 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 95 :KFKDRPLKK 1dk8A 209 :IMKQLIDPA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89641 Ang D5.C and P7.CD other bump:3.00246 Ang K4.CE and R6.NH2 Number of specific fragments= 1 total=1971 # 1l6wA.95.99 read from T0187.t2k.frag # found chain 1l6wA in template set T0187 95 :KFKDRPLKK 1l6wA 100 :KAEGIPTLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1972 # 1avpA.95.95 read from T0187.t2k.frag # found chain 1avpA in template set T0187 95 :KFKDRPLKK 1avpA 96 :AIASSPDRC Fragment has 66 clashes (null) has 66 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.95251 Ang R6.NE and G11.CA other bump:1.93804 Ang R6.CZ and G11.CA other bump:0.807158 Ang R6.NH1 and G11.CA other bump:2.78292 Ang R6.NH2 and G11.CA other bump:1.94296 Ang K2.CE and G11.N other bump:2.4054 Ang K2.NZ and G11.N other bump:2.24803 Ang R6.NE and G11.N other bump:1.27512 Ang R6.CZ and G11.N other bump:1.43194 Ang R6.NH1 and G11.N other bump:1.82363 Ang R6.NH2 and G11.N other bump:3.17431 Ang R6.CD and G11.N other bump:3.13707 Ang K2.CG and K10.C other bump:2.92657 Ang K2.CD and K10.C other bump:1.76099 Ang K2.CE and K10.C other bump:1.57985 Ang K2.NZ and K10.C other bump:1.1817 Ang R6.NE and K10.C other bump:1.18648 Ang R6.CZ and K10.C other bump:2.0618 Ang R6.NH1 and K10.C other bump:1.97392 Ang R6.NH2 and K10.C other bump:2.24147 Ang R6.CD and K10.C other bump:0.894095 Ang R6.NE and K10.O other bump:1.72253 Ang R6.CZ and K10.O other bump:2.27172 Ang R6.NH1 and K10.O other bump:2.30999 Ang R6.CG and K10.O other bump:1.02693 Ang R6.CD and K10.O other bump:2.48937 Ang K2.NZ and K10.CG other bump:2.91724 Ang K2.CE and K10.CB other bump:1.67923 Ang K2.NZ and K10.CB other bump:3.14306 Ang K2.CG and K10.CA other bump:2.64475 Ang K2.CD and K10.CA other bump:1.62627 Ang K2.CE and K10.CA other bump:0.215047 Ang K2.NZ and K10.CA other bump:2.07984 Ang R6.NE and K10.CA other bump:2.35778 Ang R6.CZ and K10.CA other bump:2.30208 Ang R6.NH2 and K10.CA other bump:3.27115 Ang R6.CD and K10.CA other bump:2.8394 Ang K2.CG and K10.N other bump:2.93589 Ang K2.CD and K10.N other bump:2.62946 Ang K2.CE and K10.N other bump:1.53277 Ang K2.NZ and K10.N other bump:2.27525 Ang R6.NE and K10.N other bump:3.15708 Ang R6.CZ and K10.N other bump:3.16899 Ang R6.CG and K10.N other bump:3.16718 Ang R6.CD and K10.N other bump:2.48112 Ang K2.CG and K9.C other bump:2.687 Ang K2.CD and K9.C other bump:3.0547 Ang K2.CE and K9.C other bump:2.40615 Ang K2.NZ and K9.C other bump:2.36443 Ang K2.CG and K9.O other bump:2.06567 Ang K2.CD and K9.O other bump:1.88567 Ang F3.CE2 and K9.NZ other bump:1.55983 Ang F3.CZ and K9.NZ other bump:2.35557 Ang F3.CE1 and K9.NZ other bump:2.95586 Ang F3.CD2 and K9.CE other bump:2.39439 Ang F3.CE2 and K9.CE other bump:2.52002 Ang K2.CG and R6.NH2 other bump:1.57362 Ang K2.CD and R6.NH2 other bump:0.756616 Ang K2.CE and R6.NH2 other bump:2.15197 Ang K2.NZ and R6.NH2 other bump:2.7023 Ang K2.CG and R6.CZ other bump:2.49469 Ang K2.CD and R6.CZ other bump:1.63132 Ang K2.CE and R6.CZ other bump:2.3192 Ang K2.NZ and R6.CZ other bump:2.34938 Ang K2.CG and R6.NE other bump:2.17555 Ang K2.CE and R6.NE other bump:2.12192 Ang K2.NZ and R6.NE Number of specific fragments= 1 total=1973 # 1af3.95.97 read from T0187.t2k.frag # found chain 1af3 in template set T0187 95 :KFKDRPLKK 1af3 98 :ELRYRRAFS Fragment has 24 clashes (null) has 24 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.91341 Ang P7.CD and K10.NZ other bump:2.72971 Ang P7.CD and K10.CE other bump:2.70176 Ang P7.CB and K10.CE other bump:1.3791 Ang D5.CG and L8.CD2 other bump:0.665533 Ang D5.OD1 and L8.CD2 other bump:2.14229 Ang D5.OD2 and L8.CD2 other bump:3.21091 Ang D5.CA and L8.CD2 other bump:2.57276 Ang D5.CB and L8.CD2 other bump:1.13824 Ang D5.CG and L8.CD1 other bump:2.21197 Ang D5.OD1 and L8.CD1 other bump:1.58629 Ang D5.OD2 and L8.CD1 other bump:2.35779 Ang D5.CA and L8.CD1 other bump:1.19092 Ang D5.CB and L8.CD1 other bump:2.334 Ang D5.O and L8.CD1 other bump:2.54554 Ang D5.C and L8.CD1 other bump:0.968432 Ang D5.CG and L8.CG other bump:1.09109 Ang D5.OD1 and L8.CG other bump:1.59548 Ang D5.OD2 and L8.CG other bump:2.87558 Ang D5.CA and L8.CG other bump:2.2114 Ang D5.CB and L8.CG other bump:2.79789 Ang D5.C and L8.CG other bump:2.15544 Ang D5.CG and L8.CB other bump:2.31732 Ang D5.OD1 and L8.CB other bump:1.71449 Ang D5.OD2 and L8.CB Number of specific fragments= 1 total=1974 # 1huw.95.96 read from T0187.t2k.frag # found chain 1huw in template set T0187 95 :KFKDRPLKK 1huw 97 :FANSLVYGA Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.883 Ang D5.OD2 and K10.CE other bump:2.25509 Ang D5.CG and K10.CD other bump:1.35512 Ang D5.OD2 and K10.CD other bump:2.69912 Ang D5.CB and K10.CD other bump:3.19552 Ang K2.CA and K10.CG other bump:3.31832 Ang D5.CA and P7.CD other bump:2.82959 Ang D5.CB and P7.CD neighbor-bump: 2.61368 Ang R6.N and P7.CD Number of specific fragments= 1 total=1975 # 1ap7.96.96 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 96 :FKDRPLKKP 1ap7 97 :EHGADVNAL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.33695 Ang K9.CA and P10.CD neighbor-bump: 1.87742 Ang K9.C and P10.CD neighbor-bump: 2.85454 Ang K9.C and P10.CG neighbor-bump: 2.66281 Ang K8.C and K9.O other bump:3.06236 Ang G1.C and L7.CD2 neighbor-bump: 2.17447 Ang K3.O and D4.CG Number of specific fragments= 1 total=1976 # 1dk8A.96.99 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 96 :FKDRPLKKP 1dk8A 210 :MKQLIDPAM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51852 Ang L7.O and P10.CD other bump:2.5743 Ang L7.C and P10.CD other bump:2.81202 Ang K8.C and P10.CD other bump:2.28704 Ang L7.O and P10.CG other bump:2.89641 Ang D4.C and P6.CD other bump:3.00246 Ang K3.CE and R5.NH2 Number of specific fragments= 1 total=1977 # 1avpA.96.96 read from T0187.t2k.frag # found chain 1avpA in template set T0187 96 :FKDRPLKKP 1avpA 97 :IASSPDRCI Fragment has 45 clashes (null) has 45 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.26407 Ang R5.CZ and P10.C other bump:2.27593 Ang R5.NH1 and P10.C other bump:2.02011 Ang R5.NE and P10.CD other bump:0.98846 Ang R5.CZ and P10.CD other bump:0.385605 Ang R5.NH2 and P10.CD neighbor-bump: 2.25793 Ang K9.CA and P10.CD neighbor-bump: 1.68735 Ang K9.C and P10.CD other bump:1.97979 Ang R5.NH1 and P10.CD other bump:1.8327 Ang R5.CZ and P10.CG other bump:1.57456 Ang R5.NH2 and P10.CG other bump:1.97161 Ang R5.CZ and P10.CB other bump:2.61697 Ang R5.NH2 and P10.CB other bump:1.11603 Ang R5.NH1 and P10.CB other bump:2.9525 Ang R5.NE and P10.CA other bump:1.93804 Ang R5.CZ and P10.CA other bump:2.78292 Ang R5.NH2 and P10.CA other bump:0.807158 Ang R5.NH1 and P10.CA other bump:2.24803 Ang R5.NE and P10.N other bump:1.27512 Ang R5.CZ and P10.N other bump:1.82363 Ang R5.NH2 and P10.N other bump:1.43194 Ang R5.NH1 and P10.N other bump:3.17431 Ang R5.CD and P10.N other bump:1.1817 Ang R5.NE and K9.C other bump:1.18648 Ang R5.CZ and K9.C other bump:1.97392 Ang R5.NH2 and K9.C other bump:2.0618 Ang R5.NH1 and K9.C other bump:2.24147 Ang R5.CD and K9.C other bump:0.894091 Ang R5.NE and K9.O other bump:1.72253 Ang R5.CZ and K9.O other bump:2.27172 Ang R5.NH1 and K9.O other bump:2.30999 Ang R5.CG and K9.O other bump:1.02693 Ang R5.CD and K9.O other bump:2.07984 Ang R5.NE and K9.CA other bump:2.35778 Ang R5.CZ and K9.CA other bump:2.30208 Ang R5.NH2 and K9.CA other bump:3.27115 Ang R5.CD and K9.CA other bump:2.27525 Ang R5.NE and K9.N other bump:3.15709 Ang R5.CZ and K9.N other bump:3.169 Ang R5.CG and K9.N other bump:3.16719 Ang R5.CD and K9.N other bump:2.35557 Ang F2.CE1 and K8.NZ other bump:1.88568 Ang F2.CE2 and K8.NZ other bump:1.55984 Ang F2.CZ and K8.NZ other bump:2.95587 Ang F2.CD2 and K8.CE other bump:2.3944 Ang F2.CE2 and K8.CE Number of specific fragments= 1 total=1978 # 1l6wA.96.100 read from T0187.t2k.frag # found chain 1l6wA in template set T0187 96 :FKDRPLKKP 1l6wA 101 :AEGIPTLGT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1979 # 2dkb.96.98 read from T0187.t2k.frag # found chain 2dkb in template set T0187 96 :FKDRPLKKP 2dkb 99 :PPGLDRALL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1980 # 1af3.96.98 read from T0187.t2k.frag # found chain 1af3 in template set T0187 96 :FKDRPLKKP 1af3 99 :LRYRRAFSD Fragment has 21 clashes (null) has 21 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.14229 Ang D4.OD2 and L7.CD2 other bump:1.3791 Ang D4.CG and L7.CD2 other bump:0.665533 Ang D4.OD1 and L7.CD2 other bump:3.21091 Ang D4.CA and L7.CD2 other bump:2.57276 Ang D4.CB and L7.CD2 other bump:1.58629 Ang D4.OD2 and L7.CD1 other bump:1.13824 Ang D4.CG and L7.CD1 other bump:2.21197 Ang D4.OD1 and L7.CD1 other bump:2.334 Ang D4.O and L7.CD1 other bump:2.54554 Ang D4.C and L7.CD1 other bump:2.35779 Ang D4.CA and L7.CD1 other bump:1.19092 Ang D4.CB and L7.CD1 other bump:1.59548 Ang D4.OD2 and L7.CG other bump:0.968432 Ang D4.CG and L7.CG other bump:1.09109 Ang D4.OD1 and L7.CG other bump:2.79789 Ang D4.C and L7.CG other bump:2.87558 Ang D4.CA and L7.CG other bump:2.2114 Ang D4.CB and L7.CG other bump:1.71449 Ang D4.OD2 and L7.CB other bump:2.15544 Ang D4.CG and L7.CB other bump:2.31732 Ang D4.OD1 and L7.CB Number of specific fragments= 1 total=1981 # 1ap7.97.97 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 97 :KDRPLKKPA 1ap7 98 :HGADVNALD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.03374 Ang K8.C and P9.CD neighbor-bump: 2.47346 Ang K8.CA and P9.CD neighbor-bump: 2.66281 Ang K7.C and K8.O neighbor-bump: 2.17447 Ang K2.O and D3.CG Number of specific fragments= 1 total=1982 # 1jqlB.97.100 read from T0187.t2k.frag # adding 1jqlB to template set 1jqlB:# found chain 1jqlB in template set T0187 97 :KDRPLKKPA 1jqlB 101 :TGLLHDDLL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29334 Ang G1.O and P5.CD neighbor-bump: 2.48962 Ang R4.N and P5.CD other bump:2.79563 Ang K2.C and P5.CD other bump:2.73745 Ang D3.C and P5.CD other bump:2.49723 Ang G1.O and P5.CG other bump:3.26265 Ang K2.C and P5.CG Number of specific fragments= 1 total=1983 # 2sak.97.100 read from T0187.t2k.frag # adding 2sak to template set 2sak:# found chain 2sak in template set T0187 97 :KDRPLKKPA 2sak 116 :LSEHIKNPG Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91078 Ang L6.CD2 and P9.CB other bump:2.56758 Ang L6.CD2 and P9.CA other bump:2.92859 Ang L6.CD2 and P9.N neighbor-bump: 2.07472 Ang R4.C and P5.CD neighbor-bump: 2.55038 Ang R4.N and P5.CD neighbor-bump: 2.47395 Ang R4.CA and P5.CD neighbor-bump: 2.66278 Ang R4.CB and P5.CD other bump:2.4496 Ang K2.O and P5.CD Number of specific fragments= 1 total=1984 # 1dk8A.97.100 read from T0187.t2k.frag # found chain 1dk8A in training set T0187 97 :KDRPLKKPA 1dk8A 211 :KQLIDPAMF Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.51852 Ang L6.O and P9.CD other bump:2.5743 Ang L6.C and P9.CD other bump:2.81202 Ang K7.C and P9.CD other bump:2.28704 Ang L6.O and P9.CG other bump:2.89641 Ang D3.C and P5.CD other bump:3.00246 Ang K2.CE and R4.NH2 Number of specific fragments= 1 total=1985 # 1avpA.97.97 read from T0187.t2k.frag # found chain 1avpA in template set T0187 97 :KDRPLKKPA 1avpA 98 :ASSPDRCIT Fragment has 40 clashes (null) has 40 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.26407 Ang R4.CZ and P9.C other bump:2.27593 Ang R4.NH1 and P9.C other bump:2.11252 Ang R4.NE and P9.CD neighbor-bump: 2.3811 Ang K8.CA and P9.CD neighbor-bump: 1.78849 Ang K8.C and P9.CD other bump:1.03087 Ang R4.CZ and P9.CD other bump:1.9499 Ang R4.NH1 and P9.CD other bump:0.393434 Ang R4.NH2 and P9.CD other bump:1.87168 Ang R4.CZ and P9.CG other bump:1.73086 Ang R4.NH2 and P9.CG other bump:1.97535 Ang R4.CZ and P9.CB other bump:1.04835 Ang R4.NH1 and P9.CB other bump:2.71159 Ang R4.NH2 and P9.CB other bump:2.95251 Ang R4.NE and P9.CA other bump:1.93804 Ang R4.CZ and P9.CA other bump:0.807158 Ang R4.NH1 and P9.CA other bump:2.78292 Ang R4.NH2 and P9.CA other bump:2.24803 Ang R4.NE and P9.N other bump:1.27512 Ang R4.CZ and P9.N other bump:1.43194 Ang R4.NH1 and P9.N other bump:1.82363 Ang R4.NH2 and P9.N other bump:3.17431 Ang R4.CD and P9.N other bump:1.18171 Ang R4.NE and K8.C other bump:1.18648 Ang R4.CZ and K8.C other bump:2.0618 Ang R4.NH1 and K8.C other bump:1.97392 Ang R4.NH2 and K8.C other bump:2.24147 Ang R4.CD and K8.C other bump:0.894092 Ang R4.NE and K8.O other bump:1.72253 Ang R4.CZ and K8.O other bump:2.27172 Ang R4.NH1 and K8.O other bump:2.30999 Ang R4.CG and K8.O other bump:1.02693 Ang R4.CD and K8.O other bump:2.07984 Ang R4.NE and K8.CA other bump:2.35778 Ang R4.CZ and K8.CA other bump:2.30208 Ang R4.NH2 and K8.CA other bump:3.27115 Ang R4.CD and K8.CA other bump:2.27525 Ang R4.NE and K8.N other bump:3.15709 Ang R4.CZ and K8.N other bump:3.169 Ang R4.CG and K8.N other bump:3.16719 Ang R4.CD and K8.N Number of specific fragments= 1 total=1986 # 2dkb.97.99 read from T0187.t2k.frag # found chain 2dkb in template set T0187 97 :KDRPLKKPA 2dkb 100 :PGLDRALLL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1987 # 2sak.98.101 read from T0187.t2k.frag # found chain 2sak in template set T0187 98 :DRPLKKPAA 2sak 117 :SEHIKNPGF Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91078 Ang L5.CD2 and P8.CB other bump:2.56758 Ang L5.CD2 and P8.CA other bump:2.92859 Ang L5.CD2 and P8.N neighbor-bump: 2.07472 Ang R3.C and P4.CD neighbor-bump: 2.55038 Ang R3.N and P4.CD neighbor-bump: 2.47395 Ang R3.CA and P4.CD neighbor-bump: 2.66278 Ang R3.CB and P4.CD other bump:2.4496 Ang G1.O and P4.CD Number of specific fragments= 1 total=1988 # 1jqlB.98.101 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 98 :DRPLKKPAA 1jqlB 102 :GLLHDDLLL Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79563 Ang G1.C and P4.CD neighbor-bump: 2.48962 Ang R3.N and P4.CD other bump:2.73745 Ang D2.C and P4.CD other bump:3.26265 Ang G1.C and P4.CG Number of specific fragments= 1 total=1989 # 1eta1.98.100 read from T0187.t2k.frag # adding 1eta1 to template set 1eta1:Skipped atom 85, because occupancy 0.25 <= existing 0.500001 Skipped atom 87, because occupancy 0.25 <= existing 0.500001 Skipped atom 89, because occupancy 0.25 <= existing 0.500001 Skipped atom 188, because occupancy 0.5 <= existing 0.500001 Skipped atom 190, because occupancy 0.01 <= existing 0.500001 Skipped atom 192, because occupancy 0.01 <= existing 0.500001 Skipped atom 267, because occupancy 0.5 <= existing 0.500001 Skipped atom 269, because occupancy 0.5 <= existing 0.500001 Skipped atom 553, because occupancy 0.5 <= existing 0.500001 Skipped atom 555, because occupancy 0.25 <= existing 0.500001 Skipped atom 557, because occupancy 0.25 <= existing 0.500001 Skipped atom 559, because occupancy 0.25 <= existing 0.500001 Skipped atom 574, because occupancy 0.25 <= existing 0.500001 Skipped atom 576, because occupancy 0.25 <= existing 0.250001 Skipped atom 578, because occupancy 0.25 <= existing 0.250001 Skipped atom 595, because occupancy 0.25 <= existing 0.750001 Skipped atom 602, because occupancy 0.2 <= existing 0.800001 Skipped atom 636, because occupancy 0.25 <= existing 0.500001 Skipped atom 638, because occupancy 0.25 <= existing 0.500001 Skipped atom 640, because occupancy 0.25 <= existing 0.500001 # found chain 1eta1 in template set T0187 98 :DRPLKKPAA 1eta1 101 :GPRRYTIAA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.28838 Ang D2.CB and R3.N self-bump: 2.15134 Ang D2.CB and D2.C self-bump: 1.2835 Ang D2.CA and D2.CB Number of specific fragments= 1 total=1990 # 1ttbA.98.100 read from T0187.t2k.frag # adding 1ttbA to template set 1ttbA:Skipped atom 64, because occupancy 0.5 <= existing 0.500001 Skipped atom 86, because occupancy 0.33 <= existing 0.330001 Skipped atom 88, because occupancy 0.33 <= existing 0.330001 Skipped atom 90, because occupancy 0.33 <= existing 0.330001 Skipped atom 121, because occupancy 0.2 <= existing 0.800001 Skipped atom 123, because occupancy 0.2 <= existing 0.800001 Skipped atom 191, because occupancy 0.5 <= existing 0.500001 Skipped atom 193, because occupancy 0.5 <= existing 0.500001 Skipped atom 195, because occupancy 0.5 <= existing 0.500001 Skipped atom 262, because occupancy 0.25 <= existing 0.380001 Skipped atom 264, because occupancy 0.38 <= existing 0.380001 Skipped atom 402, because occupancy 0.5 <= existing 0.500001 Skipped atom 404, because occupancy 0.5 <= existing 0.500001 Skipped atom 585, because occupancy 0.3 <= existing 0.400001 Skipped atom 658, because occupancy 0.5 <= existing 0.500001 Skipped atom 810, because occupancy 0.25 <= existing 0.250001 Skipped atom 917, because occupancy 0.2 <= existing 0.800001 # found chain 1ttbA in template set T0187 98 :DRPLKKPAA 1ttbA 101 :GPRRYTIAT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1991 # 1ap7.98.98 read from T0187.t2k.frag # found chain 1ap7 in template set T0187 98 :DRPLKKPAA 1ap7 99 :GADVNALDS Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47346 Ang K7.CA and P8.CD neighbor-bump: 2.03374 Ang K7.C and P8.CD neighbor-bump: 2.66281 Ang K6.C and K7.O neighbor-bump: 2.02144 Ang G1.O and D2.CG neighbor-bump: 2.72648 Ang G1.C and D2.CG Number of specific fragments= 1 total=1992 # 2dkb.98.100 read from T0187.t2k.frag # found chain 2dkb in template set T0187 98 :DRPLKKPAA 2dkb 101 :GLDRALLLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1993 # 2sak.99.102 read from T0187.t2k.frag # found chain 2sak in template set T0187 99 :RPLKKPAAL 2sak 118 :EHIKNPGFN Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91078 Ang L4.CD2 and P7.CB other bump:2.56758 Ang L4.CD2 and P7.CA other bump:2.92859 Ang L4.CD2 and P7.N neighbor-bump: 2.07472 Ang R2.C and P3.CD neighbor-bump: 2.55038 Ang R2.N and P3.CD neighbor-bump: 2.47394 Ang R2.CA and P3.CD neighbor-bump: 2.66278 Ang R2.CB and P3.CD Number of specific fragments= 1 total=1994 # 1eta1.99.101 read from T0187.t2k.frag # found chain 1eta1 in template set T0187 99 :RPLKKPAAL 1eta1 102 :PRRYTIAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1995 # 1ttbA.99.101 read from T0187.t2k.frag # found chain 1ttbA in template set T0187 99 :RPLKKPAAL 1ttbA 102 :PRRYTIATL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1996 # 1jqlB.99.102 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 99 :RPLKKPAAL 1jqlB 103 :LLHDDLLLI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73745 Ang G1.C and P3.CD neighbor-bump: 2.48961 Ang R2.N and P3.CD Number of specific fragments= 1 total=1997 # 1dy5A.99.99 read from T0187.t2k.frag # adding 1dy5A to template set 1dy5A:Skipped atom 135, because occupancy 0.23 <= existing 0.430001 Skipped atom 136, because occupancy 0.23 <= existing 0.430001 Skipped atom 137, because occupancy 0.23 <= existing 0.430001 Skipped atom 138, because occupancy 0.23 <= existing 0.430001 Skipped atom 139, because occupancy 0.34 <= existing 0.430001 Skipped atom 140, because occupancy 0.34 <= existing 0.430001 Skipped atom 141, because occupancy 0.34 <= existing 0.430001 Skipped atom 142, because occupancy 0.34 <= existing 0.430001 Skipped atom 186, because occupancy 0.35 <= existing 0.650001 Skipped atom 187, because occupancy 0.35 <= existing 0.650001 Skipped atom 188, because occupancy 0.35 <= existing 0.650001 Skipped atom 189, because occupancy 0.35 <= existing 0.650001 Skipped atom 190, because occupancy 0.35 <= existing 0.650001 Skipped atom 257, because occupancy 0.41 <= existing 0.590001 Skipped atom 258, because occupancy 0.41 <= existing 0.590001 Skipped atom 329, because occupancy 0.29 <= existing 0.710001 Skipped atom 330, because occupancy 0.29 <= existing 0.710001 Skipped atom 445, because occupancy 0.22 <= existing 0.770001 Skipped atom 446, because occupancy 0.22 <= existing 0.770001 Skipped atom 447, because occupancy 0.22 <= existing 0.770001 Skipped atom 448, because occupancy 0.22 <= existing 0.770001 Skipped atom 510, because occupancy 0.31 <= existing 0.690001 Skipped atom 511, because occupancy 0.31 <= existing 0.690001 Skipped atom 552, because occupancy 0.35 <= existing 0.640001 Skipped atom 553, because occupancy 0.35 <= existing 0.640001 Skipped atom 554, because occupancy 0.35 <= existing 0.640001 Skipped atom 641, because occupancy 0.34 <= existing 0.660001 Skipped atom 642, because occupancy 0.34 <= existing 0.660001 Skipped atom 643, because occupancy 0.34 <= existing 0.660001 Skipped atom 644, because occupancy 0.34 <= existing 0.660001 Skipped atom 645, because occupancy 0.34 <= existing 0.660001 Skipped atom 705, because occupancy 0.36 <= existing 0.640001 Skipped atom 706, because occupancy 0.36 <= existing 0.640001 Skipped atom 707, because occupancy 0.36 <= existing 0.640001 Skipped atom 728, because occupancy 0.5 <= existing 0.500001 Skipped atom 729, because occupancy 0.5 <= existing 0.500001 Skipped atom 730, because occupancy 0.5 <= existing 0.500001 Skipped atom 849, because occupancy 0.32 <= existing 0.680001 Skipped atom 850, because occupancy 0.32 <= existing 0.680001 Skipped atom 975, because occupancy 0.45 <= existing 0.550001 Skipped atom 976, because occupancy 0.45 <= existing 0.550001 Skipped atom 1083, because occupancy 0.44 <= existing 0.560001 Skipped atom 1084, because occupancy 0.44 <= existing 0.560001 Skipped atom 1085, because occupancy 0.44 <= existing 0.560001 Skipped atom 1086, because occupancy 0.44 <= existing 0.560001 Skipped atom 1286, because occupancy 0.18 <= existing 0.820001 Skipped atom 1287, because occupancy 0.18 <= existing 0.820001 Skipped atom 1288, because occupancy 0.18 <= existing 0.820001 Skipped atom 1289, because occupancy 0.18 <= existing 0.820001 Skipped atom 1358, because occupancy 0.33 <= existing 0.670001 Skipped atom 1359, because occupancy 0.33 <= existing 0.670001 Skipped atom 1360, because occupancy 0.33 <= existing 0.670001 Skipped atom 1361, because occupancy 0.33 <= existing 0.670001 Skipped atom 1455, because occupancy 0.31 <= existing 0.690001 Skipped atom 1456, because occupancy 0.31 <= existing 0.690001 Skipped atom 1662, because occupancy 0.33 <= existing 0.670001 Skipped atom 1663, because occupancy 0.33 <= existing 0.670001 Skipped atom 1664, because occupancy 0.33 <= existing 0.670001 Skipped atom 1665, because occupancy 0.33 <= existing 0.670001 Skipped atom 1752, because occupancy 0.23 <= existing 0.770001 Skipped atom 1753, because occupancy 0.23 <= existing 0.770001 # found chain 1dy5A in template set T0187 99 :RPLKKPAAL 1dy5A 100 :TQANKHIIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1998 # 7rsa.99.99 read from T0187.t2k.frag # adding 7rsa to template set 7rsa:Skipped atom 172, because occupancy 0.33 <= existing 0.660001 Skipped atom 174, because occupancy 0.33 <= existing 0.660001 Skipped atom 176, because occupancy 0.33 <= existing 0.660001 Skipped atom 178, because occupancy 0.33 <= existing 0.660001 Skipped atom 180, because occupancy 0.33 <= existing 0.660001 Skipped atom 481, because occupancy 0.33 <= existing 0.670001 Skipped atom 483, because occupancy 0.33 <= existing 0.670001 Skipped atom 806, because occupancy 0.33 <= existing 0.670001 Skipped atom 808, because occupancy 0.33 <= existing 0.670001 Skipped atom 962, because occupancy 0.5 <= existing 0.500001 Skipped atom 964, because occupancy 0.5 <= existing 0.500001 Skipped atom 966, because occupancy 0.5 <= existing 0.500001 Skipped atom 968, because occupancy 0.5 <= existing 0.500001 Skipped atom 970, because occupancy 0.5 <= existing 0.500001 Skipped atom 1073, because occupancy 0.33 <= existing 0.670001 Skipped atom 1075, because occupancy 0.33 <= existing 0.670001 Skipped atom 1077, because occupancy 0.33 <= existing 0.670001 Skipped atom 1079, because occupancy 0.33 <= existing 0.670001 Skipped atom 1228, because occupancy 0.33 <= existing 0.670001 Skipped atom 1230, because occupancy 0.33 <= existing 0.670001 Skipped atom 1319, because occupancy 0.5 <= existing 0.500001 Skipped atom 1321, because occupancy 0.5 <= existing 0.500001 Skipped atom 1323, because occupancy 0.5 <= existing 0.500001 Skipped atom 1325, because occupancy 0.5 <= existing 0.500001 Skipped atom 1348, because occupancy 0.5 <= existing 0.500001 Skipped atom 1350, because occupancy 0.5 <= existing 0.500001 Skipped atom 1352, because occupancy 0.5 <= existing 0.500001 Skipped atom 1354, because occupancy 0.5 <= existing 0.500001 Skipped atom 1356, because occupancy 0.5 <= existing 0.500001 Skipped atom 1358, because occupancy 0.5 <= existing 0.500001 Skipped atom 1360, because occupancy 0.5 <= existing 0.500001 Skipped atom 1449, because occupancy 0.5 <= existing 0.500001 Skipped atom 1451, because occupancy 0.5 <= existing 0.500001 Skipped atom 1453, because occupancy 0.5 <= existing 0.500001 Skipped atom 1455, because occupancy 0.5 <= existing 0.500001 Skipped atom 1457, because occupancy 0.5 <= existing 0.500001 Skipped atom 1578, because occupancy 0.5 <= existing 0.500001 Skipped atom 1580, because occupancy 0.5 <= existing 0.500001 Skipped atom 1582, because occupancy 0.5 <= existing 0.500001 Skipped atom 1584, because occupancy 0.5 <= existing 0.500001 Skipped atom 1586, because occupancy 0.5 <= existing 0.500001 Skipped atom 1685, because occupancy 0.5 <= existing 0.500001 Skipped atom 1687, because occupancy 0.5 <= existing 0.500001 Skipped atom 1689, because occupancy 0.5 <= existing 0.500001 Skipped atom 1691, because occupancy 0.5 <= existing 0.500001 Skipped atom 1693, because occupancy 0.5 <= existing 0.500001 # found chain 7rsa in template set T0187 99 :RPLKKPAAL 7rsa 100 :TQANKHIIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=1999 # 2sak.100.103 read from T0187.t2k.frag # found chain 2sak in template set T0187 100 :PLKKPAALI 2sak 119 :HIKNPGFNL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.91078 Ang L3.CD2 and P6.CB other bump:2.56758 Ang L3.CD2 and P6.CA other bump:2.92859 Ang L3.CD2 and P6.N Number of specific fragments= 1 total=2000 # 1jqlB.100.103 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 100 :PLKKPAALI 1jqlB 104 :LHDDLLLIV Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5452 Ang A8.O and L9.CD2 Number of specific fragments= 1 total=2001 # 1eu3A.100.100 read from T0187.t2k.frag # adding 1eu3A to template set 1eu3A:WARNING: atom 5 has residue number 1 < previous residue 2A # found chain 1eu3A in template set T0187 100 :PLKKPAALI 1eu3A 100 :PKNIPVNLW Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.21512 Ang G1.O and L3.CD1 Number of specific fragments= 1 total=2002 # 1dy5A.100.100 read from T0187.t2k.frag # found chain 1dy5A in template set T0187 100 :PLKKPAALI 1dy5A 101 :QANKHIIVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2003 # 7rsa.100.100 read from T0187.t2k.frag # found chain 7rsa in template set T0187 100 :PLKKPAALI 7rsa 101 :QANKHIIVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2004 # 1rnd.100.100 read from T0187.t2k.frag # adding 1rnd to template set 1rnd:# found chain 1rnd in template set T0187 100 :PLKKPAALI 1rnd 101 :QANKHIIVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2005 # 1eu3A.101.101 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 101 :LKKPAALIF 1eu3A 101 :KNIPVNLWI Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.2564 Ang L8.CD2 and F10.CE1 other bump:2.44541 Ang L8.CG and F10.CE1 other bump:2.49092 Ang L8.CD1 and F10.CE1 Number of specific fragments= 1 total=2006 # 1jqlB.101.104 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 101 :LKKPAALIF 1jqlB 105 :HDDLLLIVR Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5452 Ang A7.O and L8.CD2 Number of specific fragments= 1 total=2007 # 2sak.101.104 read from T0187.t2k.frag # found chain 2sak in template set T0187 101 :LKKPAALIF 2sak 120 :IKNPGFNLI Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.73794 Ang L8.CD2 and F10.CE1 other bump:2.91077 Ang L2.CD2 and P5.CB other bump:2.56757 Ang L2.CD2 and P5.CA other bump:2.92859 Ang L2.CD2 and P5.N Number of specific fragments= 1 total=2008 # 1m4vA.101.105 read from T0187.t2k.frag # adding 1m4vA to template set 1m4vA:# found chain 1m4vA in template set T0187 101 :LKKPAALIF 1m4vA 106 :LNAPKFVIK Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.41868 Ang L8.CG and F10.CZ other bump:2.61741 Ang L8.CD1 and F10.CZ other bump:2.12284 Ang L8.CD2 and F10.CZ other bump:2.08792 Ang L8.CG and F10.CE2 other bump:2.18379 Ang L8.CD2 and F10.CE2 neighbor-bump: 2.54742 Ang L2.O and K3.CG Number of specific fragments= 1 total=2009 # 1pne.101.105 read from T0187.t2k.frag # found chain 1pne in training set T0187 101 :LKKPAALIF 1pne 105 :TAKTLVLLM Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.69751 Ang L2.CB and P5.CD neighbor-bump: 2.56037 Ang K4.N and P5.CD other bump:1.92454 Ang L2.CD1 and P5.CG other bump:2.71845 Ang L2.CB and P5.CG other bump:2.79306 Ang L2.CG and P5.CG other bump:3.0966 Ang L2.CD1 and P5.CB Number of specific fragments= 1 total=2010 # 1dy5A.101.101 read from T0187.t2k.frag # found chain 1dy5A in template set T0187 101 :LKKPAALIF 1dy5A 102 :ANKHIIVAC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2011 # 1eu3A.102.102 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 102 :KKPAALIFG 1eu3A 102 :NIPVNLWIN Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64803 Ang L7.CD2 and F9.CZ other bump:2.4644 Ang L7.CG and F9.CE1 other bump:2.1048 Ang L7.CD2 and F9.CE1 Number of specific fragments= 1 total=2012 # 1m4vA.102.106 read from T0187.t2k.frag # found chain 1m4vA in template set T0187 102 :KKPAALIFG 1m4vA 107 :NAPKFVIKK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48584 Ang L7.CG and F9.CE2 other bump:2.39537 Ang L7.CD2 and F9.CE2 Number of specific fragments= 1 total=2013 # 1pne.102.106 read from T0187.t2k.frag # found chain 1pne in training set T0187 102 :KKPAALIFG 1pne 106 :AKTLVLLMG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48645 Ang F9.CD1 and G10.O neighbor-bump: 2.56037 Ang K3.N and P4.CD Number of specific fragments= 1 total=2014 # 1jqlB.102.105 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 102 :KKPAALIFG 1jqlB 106 :DDLLLIVRG Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5452 Ang A6.O and L7.CD2 Number of specific fragments= 1 total=2015 # 2pkaB.102.102 read from T0187.t2k.frag # adding 2pkaB to template set 2pkaB:# found chain 2pkaB in template set T0187 102 :KKPAALIFG 2pkaB 194 :DSGGPLICN Fragment has 11 clashes (null) has 11 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.10205 Ang K3.CB and P4.CD neighbor-bump: 1.63347 Ang K3.CA and P4.CD neighbor-bump: 1.72364 Ang K3.O and P4.CD neighbor-bump: 0.900389 Ang K3.C and P4.CD self-bump: 1.35744 Ang P4.N and P4.CD neighbor-bump: 3.1003 Ang K3.CB and P4.CG neighbor-bump: 3.05213 Ang K3.CA and P4.CG neighbor-bump: 1.96462 Ang K3.O and P4.CG neighbor-bump: 2.05499 Ang K3.C and P4.CG neighbor-bump: 2.07878 Ang K3.O and P4.CB neighbor-bump: 2.43862 Ang K3.C and P4.CB Number of specific fragments= 1 total=2016 # 1cdy.102.102 read from T0187.t2k.frag # adding 1cdy to template set 1cdy:# found chain 1cdy in template set T0187 102 :KKPAALIFG 1cdy 103 :NSDTHLLQG Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03104 Ang P4.CB and L7.CG neighbor-bump: 3.05979 Ang P4.CG and A5.CA neighbor-bump: 2.38827 Ang P4.CB and A5.N neighbor-bump: 1.94499 Ang P4.CG and A5.N neighbor-bump: 2.64034 Ang P4.CD and A5.N neighbor-bump: 2.37615 Ang K3.N and P4.CD neighbor-bump: 2.83217 Ang K3.CB and P4.CD neighbor-bump: 1.7952 Ang K3.CA and P4.CD neighbor-bump: 1.47748 Ang K3.O and P4.CD neighbor-bump: 0.754949 Ang K3.C and P4.CD self-bump: 1.39826 Ang P4.N and P4.CD other bump:2.91964 Ang K2.C and P4.CD neighbor-bump: 2.77974 Ang K3.CA and P4.CG neighbor-bump: 0.539332 Ang K3.O and P4.CG neighbor-bump: 1.46686 Ang K3.C and P4.CG neighbor-bump: 1.58666 Ang K3.O and P4.CB neighbor-bump: 1.98185 Ang K3.C and P4.CB self-bump: 2.12397 Ang P4.N and P4.CB Number of specific fragments= 1 total=2017 # 1eu3A.103.103 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 103 :KPAALIFGG 1eu3A 103 :IPVNLWING Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.19238 Ang I7.CG2 and G10.C other bump:2.64803 Ang L6.CD2 and F8.CZ other bump:2.4644 Ang L6.CG and F8.CE1 other bump:2.1048 Ang L6.CD2 and F8.CE1 Number of specific fragments= 1 total=2018 # 1pne.103.107 read from T0187.t2k.frag # found chain 1pne in training set T0187 103 :KPAALIFGG 1pne 107 :KTLVLLMGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48645 Ang F8.CD1 and G9.O neighbor-bump: 2.56037 Ang K2.N and P3.CD Number of specific fragments= 1 total=2019 # 1jqlB.103.106 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 103 :KPAALIFGG 1jqlB 107 :DLLLIVRGN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5452 Ang A5.O and L6.CD2 Number of specific fragments= 1 total=2020 # 1cdy.103.103 read from T0187.t2k.frag # found chain 1cdy in template set T0187 103 :KPAALIFGG 1cdy 104 :SDTHLLQGQ Fragment has 19 clashes (null) has 19 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03104 Ang P3.CB and L6.CG neighbor-bump: 3.05978 Ang P3.CG and A4.CA neighbor-bump: 2.38827 Ang P3.CB and A4.N neighbor-bump: 1.94498 Ang P3.CG and A4.N neighbor-bump: 2.64034 Ang P3.CD and A4.N neighbor-bump: 1.47748 Ang K2.O and P3.CD neighbor-bump: 2.37616 Ang K2.N and P3.CD neighbor-bump: 2.70915 Ang K2.CB and P3.CD other bump:2.91965 Ang G1.C and P3.CD neighbor-bump: 1.79521 Ang K2.CA and P3.CD neighbor-bump: 0.754951 Ang K2.C and P3.CD self-bump: 1.39825 Ang P3.N and P3.CD neighbor-bump: 0.539337 Ang K2.O and P3.CG neighbor-bump: 3.06353 Ang K2.CB and P3.CG neighbor-bump: 2.77975 Ang K2.CA and P3.CG neighbor-bump: 1.46687 Ang K2.C and P3.CG neighbor-bump: 1.58668 Ang K2.O and P3.CB neighbor-bump: 1.98186 Ang K2.C and P3.CB self-bump: 2.12397 Ang P3.N and P3.CB Number of specific fragments= 1 total=2021 # 1fil.103.106 read from T0187.t2k.frag # adding 1fil to template set 1fil:# found chain 1fil in template set T0187 103 :KPAALIFGG 1fil 107 :KTLVLLMGK Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.96741 Ang F8.CE2 and G9.O neighbor-bump: 2.64374 Ang K2.N and P3.CD Number of specific fragments= 1 total=2022 # 1dy5A.103.103 read from T0187.t2k.frag # found chain 1dy5A in template set T0187 103 :KPAALIFGG 1dy5A 104 :KHIIVACEG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2023 # 1eu3A.104.104 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 104 :PAALIFGGE 1eu3A 104 :PVNLWINGK Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.03294 Ang I6.CD1 and G11.CA other bump:3.19238 Ang I6.CG2 and G9.C other bump:2.64803 Ang L5.CD2 and F7.CZ other bump:2.4644 Ang L5.CG and F7.CE1 other bump:2.1048 Ang L5.CD2 and F7.CE1 Number of specific fragments= 1 total=2024 # 1pne.104.108 read from T0187.t2k.frag # found chain 1pne in training set T0187 104 :PAALIFGGE 1pne 108 :TLVLLMGKE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.48645 Ang F7.CD1 and G8.O Number of specific fragments= 1 total=2025 # 1dy5A.104.104 read from T0187.t2k.frag # found chain 1dy5A in template set T0187 104 :PAALIFGGE 1dy5A 105 :HIIVACEGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2026 # 7rsa.104.104 read from T0187.t2k.frag # found chain 7rsa in template set T0187 104 :PAALIFGGE 7rsa 105 :HIIVACEGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2027 # 1rnd.104.104 read from T0187.t2k.frag # found chain 1rnd in template set T0187 104 :PAALIFGGE 1rnd 105 :HIIVACEGN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2028 # 1jqlB.104.107 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 104 :PAALIFGGE 1jqlB 108 :LLLIVRGNK Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5452 Ang A4.O and L5.CD2 Number of specific fragments= 1 total=2029 # 1eu3A.105.105 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 105 :AALIFGGET 1eu3A 105 :VNLWINGKQ Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.06415 Ang I5.CD1 and T10.CG2 other bump:2.97676 Ang I5.CD1 and T10.CB other bump:3.03294 Ang I5.CD1 and T10.CA other bump:3.19238 Ang I5.CG2 and G8.C other bump:2.64803 Ang L4.CD2 and F6.CZ other bump:2.4644 Ang L4.CG and F6.CE1 other bump:2.1048 Ang L4.CD2 and F6.CE1 Number of specific fragments= 1 total=2030 # 1pne.105.109 read from T0187.t2k.frag # found chain 1pne in training set T0187 105 :AALIFGGET 1pne 109 :LVLLMGKEG Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.20306 Ang E9.O and T10.CB neighbor-bump: 2.49692 Ang E9.C and T10.CB neighbor-bump: 2.48645 Ang F6.CD1 and G7.O Number of specific fragments= 1 total=2031 # 1dy5A.105.105 read from T0187.t2k.frag # found chain 1dy5A in template set T0187 105 :AALIFGGET 1dy5A 106 :IIVACEGNP Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.52045 Ang F6.CE1 and G11.CA other bump:2.30823 Ang F6.CE2 and G11.CA other bump:1.5662 Ang F6.CZ and G11.CA other bump:2.82619 Ang F6.CZ and G11.N Number of specific fragments= 1 total=2032 # 7rsa.105.105 read from T0187.t2k.frag # found chain 7rsa in template set T0187 105 :AALIFGGET 7rsa 106 :IIVACEGNP Fragment has 10 clashes (null) has 10 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.77264 Ang T10.CG2 and G11.CA other bump:2.27392 Ang F6.CE1 and G11.CA other bump:2.42274 Ang F6.CE2 and G11.CA other bump:1.45813 Ang F6.CZ and G11.CA neighbor-bump: 2.30964 Ang T10.CB and G11.N neighbor-bump: 1.60012 Ang T10.CG2 and G11.N other bump:2.81629 Ang F6.CZ and G11.N self-bump: 2.20163 Ang T10.CB and T10.C self-bump: 2.36319 Ang T10.CG2 and T10.C self-bump: 1.27211 Ang T10.CA and T10.CB Number of specific fragments= 1 total=2033 # 1rnd.105.105 read from T0187.t2k.frag # found chain 1rnd in template set T0187 105 :AALIFGGET 1rnd 106 :IIVACEGNP Fragment has 8 clashes (null) has 8 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.27188 Ang F6.CE1 and G11.CA other bump:2.22264 Ang F6.CE2 and G11.CA other bump:1.27702 Ang F6.CZ and G11.CA other bump:2.67598 Ang F6.CZ and G11.N neighbor-bump: 1.95277 Ang T10.CG2 and G11.N self-bump: 2.2124 Ang T10.CB and T10.C self-bump: 2.34077 Ang T10.CG2 and T10.C self-bump: 1.28936 Ang T10.CA and T10.CB Number of specific fragments= 1 total=2034 # 1jqlB.105.108 read from T0187.t2k.frag # found chain 1jqlB in template set T0187 105 :AALIFGGET 1jqlB 109 :LLIVRGNKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5452 Ang A3.O and L4.CD2 Number of specific fragments= 1 total=2035 # 1eu3A.106.106 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 106 :ALIFGGETV 1eu3A 106 :NLWINGKQI Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8469 Ang F5.CD1 and V10.CG1 other bump:2.68891 Ang I4.CD1 and T9.OG1 other bump:3.03294 Ang I4.CD1 and T9.CA other bump:3.19238 Ang I4.CG2 and G7.C other bump:2.64803 Ang L3.CD2 and F5.CZ other bump:2.4644 Ang L3.CG and F5.CE1 other bump:2.1048 Ang L3.CD2 and F5.CE1 Number of specific fragments= 1 total=2036 # 1pne.106.110 read from T0187.t2k.frag # found chain 1pne in training set T0187 106 :ALIFGGETV 1pne 110 :VLLMGKEGV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.49692 Ang E8.C and T9.CB neighbor-bump: 2.20307 Ang E8.O and T9.CB neighbor-bump: 2.48645 Ang F5.CD1 and G6.O Number of specific fragments= 1 total=2037 # 1dy5A.106.106 read from T0187.t2k.frag # found chain 1dy5A in template set T0187 106 :ALIFGGETV 1dy5A 107 :IVACEGNPY Fragment has 29 clashes (null) has 29 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.62669 Ang F5.CD1 and G11.CA other bump:2.35273 Ang F5.CE1 and G11.CA other bump:2.37576 Ang F5.CD1 and G11.N other bump:1.7021 Ang F5.CE1 and G11.N other bump:2.34963 Ang F5.CZ and G11.N other bump:2.57443 Ang F5.CD1 and V10.C other bump:1.29413 Ang F5.CE1 and V10.C other bump:2.61614 Ang F5.CE2 and V10.C other bump:1.3509 Ang F5.CZ and V10.C other bump:2.759 Ang F5.CD1 and V10.O other bump:1.41012 Ang F5.CE1 and V10.O other bump:1.71477 Ang F5.CZ and V10.O other bump:2.42916 Ang G7.O and V10.CG2 other bump:3.26674 Ang E8.CD and V10.CG2 other bump:2.775 Ang F5.CE2 and V10.CG2 other bump:3.15715 Ang F5.CZ and V10.CG2 other bump:2.10824 Ang E8.OE1 and V10.CG2 other bump:2.69925 Ang F5.CG and V10.CG1 other bump:1.47839 Ang F5.CD2 and V10.CG1 other bump:2.91162 Ang F5.CE1 and V10.CG1 other bump:0.574043 Ang F5.CE2 and V10.CG1 other bump:1.87246 Ang F5.CZ and V10.CG1 other bump:2.87992 Ang F5.CD2 and V10.CB other bump:1.51098 Ang F5.CE2 and V10.CB other bump:1.64321 Ang F5.CZ and V10.CB other bump:2.52045 Ang F5.CE1 and V10.CA other bump:2.30823 Ang F5.CE2 and V10.CA other bump:1.5662 Ang F5.CZ and V10.CA other bump:2.82619 Ang F5.CZ and V10.N Number of specific fragments= 1 total=2038 # 7rsa.106.106 read from T0187.t2k.frag # found chain 7rsa in template set T0187 106 :ALIFGGETV 7rsa 107 :IVACEGNPY Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.79601 Ang F5.CD1 and G11.CA other bump:2.60317 Ang F5.CE1 and G11.CA other bump:2.50566 Ang F5.CD1 and G11.N other bump:1.86643 Ang F5.CE1 and G11.N other bump:2.57441 Ang F5.CZ and G11.N other bump:2.92158 Ang F5.CE2 and V10.C other bump:2.56681 Ang F5.CD1 and V10.C other bump:1.29657 Ang F5.CE1 and V10.C other bump:1.6419 Ang F5.CZ and V10.C other bump:2.73573 Ang F5.CD1 and V10.O other bump:1.46318 Ang F5.CE1 and V10.O other bump:2.03465 Ang F5.CZ and V10.O other bump:2.55986 Ang F5.CE2 and V10.CG2 other bump:2.8133 Ang F5.CZ and V10.CG2 other bump:2.37346 Ang G7.O and V10.CG2 other bump:3.16448 Ang E8.CD and V10.CG2 other bump:2.01578 Ang E8.OE1 and V10.CG2 other bump:1.37311 Ang F5.CD2 and V10.CG1 other bump:0.239266 Ang F5.CE2 and V10.CG1 other bump:2.47479 Ang F5.CG and V10.CG1 other bump:2.8903 Ang F5.CD1 and V10.CG1 other bump:2.5514 Ang F5.CE1 and V10.CG1 other bump:1.54911 Ang F5.CZ and V10.CG1 other bump:2.84912 Ang F5.CD2 and V10.CB other bump:1.46338 Ang F5.CE2 and V10.CB other bump:2.67153 Ang F5.CE1 and V10.CB other bump:1.2969 Ang F5.CZ and V10.CB other bump:2.42274 Ang F5.CE2 and V10.CA other bump:2.27392 Ang F5.CE1 and V10.CA other bump:1.45813 Ang F5.CZ and V10.CA other bump:2.81629 Ang F5.CZ and V10.N Number of specific fragments= 1 total=2039 # 1cdy.106.106 read from T0187.t2k.frag # found chain 1cdy in template set T0187 106 :ALIFGGETV 1cdy 107 :HLLQGQSLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2040 # 1rnd.106.106 read from T0187.t2k.frag # found chain 1rnd in template set T0187 106 :ALIFGGETV 1rnd 107 :IVACEGNPY Fragment has 30 clashes (null) has 30 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.68406 Ang F5.CD1 and G11.CA other bump:2.39533 Ang F5.CE1 and G11.CA other bump:2.40911 Ang F5.CD1 and G11.N other bump:1.60868 Ang F5.CE1 and G11.N other bump:2.32053 Ang F5.CZ and G11.N other bump:2.54671 Ang F5.CD1 and V10.C other bump:2.78213 Ang F5.CE2 and V10.C other bump:1.17213 Ang F5.CE1 and V10.C other bump:1.42994 Ang F5.CZ and V10.C other bump:2.75209 Ang F5.CD1 and V10.O other bump:1.5289 Ang F5.CE1 and V10.O other bump:2.01732 Ang F5.CZ and V10.O other bump:2.53282 Ang F5.CE2 and V10.CG2 other bump:2.52206 Ang G7.O and V10.CG2 other bump:2.86388 Ang F5.CZ and V10.CG2 other bump:2.39967 Ang E8.OE1 and V10.CG2 other bump:1.33001 Ang F5.CD2 and V10.CG1 other bump:2.48967 Ang F5.CG and V10.CG1 other bump:2.96062 Ang F5.CD1 and V10.CG1 other bump:0.278572 Ang F5.CE2 and V10.CG1 other bump:2.65702 Ang F5.CE1 and V10.CG1 other bump:1.65976 Ang F5.CZ and V10.CG1 other bump:2.79616 Ang F5.CD2 and V10.CB other bump:1.40391 Ang F5.CE2 and V10.CB other bump:2.7696 Ang F5.CE1 and V10.CB other bump:1.3892 Ang F5.CZ and V10.CB other bump:2.22264 Ang F5.CE2 and V10.CA other bump:2.27188 Ang F5.CE1 and V10.CA other bump:1.27702 Ang F5.CZ and V10.CA other bump:2.67598 Ang F5.CZ and V10.N Number of specific fragments= 1 total=2041 # 1cdy.107.107 read from T0187.t2k.frag # found chain 1cdy in template set T0187 107 :LIFGGETVV 1cdy 108 :LLQGQSLTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2042 # 1eu3A.107.107 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 107 :LIFGGETVV 1eu3A 107 :LWINGKQIS Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.8469 Ang F4.CD1 and V9.CG1 other bump:2.68891 Ang I3.CD1 and T8.OG1 other bump:3.03294 Ang I3.CD1 and T8.CA other bump:3.19238 Ang I3.CG2 and G6.C other bump:2.64803 Ang L2.CD2 and F4.CZ other bump:2.1048 Ang L2.CD2 and F4.CE1 other bump:2.4644 Ang L2.CG and F4.CE1 Number of specific fragments= 1 total=2043 # 1f5fA.107.113 read from T0187.t2k.frag # adding 1f5fA to template set 1f5fA:Skipped atom 32, because occupancy 0.5 <= existing 0.500001 Skipped atom 34, because occupancy 0.5 <= existing 0.500001 Skipped atom 36, because occupancy 0.5 <= existing 0.500001 Skipped atom 38, because occupancy 0.5 <= existing 0.500001 Skipped atom 40, because occupancy 0.5 <= existing 0.500001 Skipped atom 42, because occupancy 0.5 <= existing 0.500001 Skipped atom 446, because occupancy 0.5 <= existing 0.500001 Skipped atom 448, because occupancy 0.5 <= existing 0.500001 Skipped atom 450, because occupancy 0.5 <= existing 0.500001 Skipped atom 452, because occupancy 0.5 <= existing 0.500001 Skipped atom 766, because occupancy 0.5 <= existing 0.500001 Skipped atom 768, because occupancy 0.5 <= existing 0.500001 Skipped atom 770, because occupancy 0.5 <= existing 0.500001 Skipped atom 772, because occupancy 0.5 <= existing 0.500001 Skipped atom 778, because occupancy 0.5 <= existing 0.500001 Skipped atom 780, because occupancy 0.5 <= existing 0.500001 Skipped atom 782, because occupancy 0.5 <= existing 0.500001 Skipped atom 784, because occupancy 0.5 <= existing 0.500001 Skipped atom 786, because occupancy 0.5 <= existing 0.500001 Skipped atom 913, because occupancy 0.5 <= existing 0.500001 Skipped atom 915, because occupancy 0.5 <= existing 0.500001 Skipped atom 917, because occupancy 0.5 <= existing 0.500001 Skipped atom 919, because occupancy 0.5 <= existing 0.500001 Skipped atom 921, because occupancy 0.5 <= existing 0.500001 Skipped atom 923, because occupancy 0.5 <= existing 0.500001 Skipped atom 925, because occupancy 0.5 <= existing 0.500001 # found chain 1f5fA in template set T0187 107 :LIFGGETVV 1f5fA 114 :LEVDGEEVL Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17188 Ang F4.CE1 and V9.CG2 other bump:2.15454 Ang F4.CD1 and V9.CG2 other bump:3.10275 Ang F4.CD1 and V9.CG1 other bump:3.22311 Ang I3.CG2 and G6.C other bump:2.84488 Ang L2.CD2 and F4.CZ other bump:2.62721 Ang L2.CD2 and F4.CE1 Number of specific fragments= 1 total=2044 # 1crb.107.108 read from T0187.t2k.frag # adding 1crb to template set 1crb:# found chain 1crb in template set T0187 107 :LIFGGETVV 1crb 109 :WIEGDELHL Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89665 Ang F4.CD1 and V9.CG2 other bump:2.14433 Ang L2.CD1 and F4.CZ other bump:2.77474 Ang L2.CG and F4.CE1 other bump:1.56126 Ang L2.CD1 and F4.CE1 other bump:2.54142 Ang L2.CD1 and F4.CD1 Number of specific fragments= 1 total=2045 # 1dy5A.107.107 read from T0187.t2k.frag # found chain 1dy5A in template set T0187 107 :LIFGGETVV 1dy5A 108 :VACEGNPYV Fragment has 31 clashes (null) has 31 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.65239 Ang F4.CD1 and V10.C other bump:3.13099 Ang F4.CE1 and V10.C other bump:2.81075 Ang F4.CD1 and V10.O other bump:2.62669 Ang F4.CD1 and V10.CA other bump:2.35273 Ang F4.CE1 and V10.CA other bump:2.37576 Ang F4.CD1 and V10.N other bump:1.7021 Ang F4.CE1 and V10.N other bump:2.34963 Ang F4.CZ and V10.N other bump:2.57443 Ang F4.CD1 and V9.C other bump:1.29413 Ang F4.CE1 and V9.C other bump:2.61614 Ang F4.CE2 and V9.C other bump:1.3509 Ang F4.CZ and V9.C other bump:2.759 Ang F4.CD1 and V9.O other bump:1.41012 Ang F4.CE1 and V9.O other bump:1.71477 Ang F4.CZ and V9.O other bump:2.4702 Ang G6.O and V9.CG2 other bump:3.23912 Ang E7.CD and V9.CG2 other bump:2.80352 Ang F4.CE2 and V9.CG2 other bump:3.18294 Ang F4.CZ and V9.CG2 other bump:2.0765 Ang E7.OE1 and V9.CG2 other bump:2.76313 Ang F4.CG and V9.CG1 other bump:1.51626 Ang F4.CD2 and V9.CG1 other bump:0.675648 Ang F4.CE2 and V9.CG1 other bump:1.97045 Ang F4.CZ and V9.CG1 other bump:2.8792 Ang F4.CD2 and V9.CB other bump:1.51522 Ang F4.CE2 and V9.CB other bump:1.66823 Ang F4.CZ and V9.CB other bump:2.52045 Ang F4.CE1 and V9.CA other bump:2.30823 Ang F4.CE2 and V9.CA other bump:1.5662 Ang F4.CZ and V9.CA other bump:2.82619 Ang F4.CZ and V9.N Number of specific fragments= 1 total=2046 # 7rsa.107.107 read from T0187.t2k.frag # found chain 7rsa in template set T0187 107 :LIFGGETVV 7rsa 108 :VACEGNPYV Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.82349 Ang F4.CD1 and V10.C other bump:2.79601 Ang F4.CD1 and V10.CA other bump:2.60317 Ang F4.CE1 and V10.CA other bump:2.50566 Ang F4.CD1 and V10.N other bump:1.86643 Ang F4.CE1 and V10.N other bump:2.57441 Ang F4.CZ and V10.N other bump:2.56681 Ang F4.CD1 and V9.C other bump:1.29657 Ang F4.CE1 and V9.C other bump:1.6419 Ang F4.CZ and V9.C other bump:2.92158 Ang F4.CE2 and V9.C other bump:2.73573 Ang F4.CD1 and V9.O other bump:1.46318 Ang F4.CE1 and V9.O other bump:2.03465 Ang F4.CZ and V9.O other bump:2.83978 Ang F4.CZ and V9.CG2 other bump:2.41495 Ang G6.O and V9.CG2 other bump:3.13824 Ang E7.CD and V9.CG2 other bump:1.98544 Ang E7.OE1 and V9.CG2 other bump:2.58882 Ang F4.CE2 and V9.CG2 other bump:2.98151 Ang F4.CD1 and V9.CG1 other bump:2.6554 Ang F4.CE1 and V9.CG1 other bump:1.64268 Ang F4.CZ and V9.CG1 other bump:2.53196 Ang F4.CG and V9.CG1 other bump:1.38893 Ang F4.CD2 and V9.CG1 other bump:0.326921 Ang F4.CE2 and V9.CG1 other bump:2.69401 Ang F4.CE1 and V9.CB other bump:1.32026 Ang F4.CZ and V9.CB other bump:2.84535 Ang F4.CD2 and V9.CB other bump:1.46002 Ang F4.CE2 and V9.CB other bump:2.27392 Ang F4.CE1 and V9.CA other bump:1.45813 Ang F4.CZ and V9.CA other bump:2.42274 Ang F4.CE2 and V9.CA other bump:2.81629 Ang F4.CZ and V9.N Number of specific fragments= 1 total=2047 # 1cdy.108.108 read from T0187.t2k.frag # found chain 1cdy in template set T0187 108 :IFGGETVVH 1cdy 109 :LQGQSLTLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2048 # 1f5fA.108.114 read from T0187.t2k.frag # found chain 1f5fA in template set T0187 108 :IFGGETVVH 1f5fA 115 :EVDGEEVLR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15454 Ang F3.CD1 and V8.CG2 other bump:2.17188 Ang F3.CE1 and V8.CG2 other bump:3.10275 Ang F3.CD1 and V8.CG1 other bump:3.15767 Ang I2.CG2 and G5.C Number of specific fragments= 1 total=2049 # 1afb1.108.121 read from T0187.t2k.frag # adding 1afb1 to template set 1afb1:Skipped atom 209, because occupancy 0.5 <= existing 0.500001 Skipped atom 211, because occupancy 0.5 <= existing 0.500001 Skipped atom 213, because occupancy 0.5 <= existing 0.500001 Skipped atom 215, because occupancy 0.5 <= existing 0.500001 Skipped atom 217, because occupancy 0.5 <= existing 0.500001 # found chain 1afb1 in template set T0187 108 :IFGGETVVH 1afb1 194 :LGGGEDCVT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.47092 Ang I2.O and F3.CD1 Number of specific fragments= 1 total=2050 # 1crb.108.109 read from T0187.t2k.frag # found chain 1crb in template set T0187 108 :IFGGETVVH 1crb 110 :IEGDELHLE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89665 Ang F3.CD1 and V8.CG2 Number of specific fragments= 1 total=2051 # 3cd4.108.108 read from T0187.t2k.frag # adding 3cd4 to template set 3cd4:Skipped atom 567, because occupancy 0.5 <= existing 0.500001 Skipped atom 569, because occupancy 0.5 <= existing 0.500001 Skipped atom 571, because occupancy 0.5 <= existing 0.500001 Skipped atom 573, because occupancy 0.5 <= existing 0.500001 Skipped atom 575, because occupancy 0.5 <= existing 0.500001 Skipped atom 581, because occupancy 0.5 <= existing 0.500001 Skipped atom 583, because occupancy 0.5 <= existing 0.500001 Skipped atom 585, because occupancy 0.5 <= existing 0.500001 Skipped atom 587, because occupancy 0.5 <= existing 0.500001 # found chain 3cd4 in template set T0187 108 :IFGGETVVH 3cd4 109 :LQGQSLTLT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2052 # 1eu3A.108.108 read from T0187.t2k.frag # found chain 1eu3A in template set T0187 108 :IFGGETVVH 1eu3A 108 :WINGKQISV Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.64096 Ang V8.O and H10.CE1 other bump:2.8469 Ang F3.CD1 and V8.CG1 other bump:3.20569 Ang I2.CG2 and G5.C Number of specific fragments= 1 total=2053 # 1afb1.109.122 read from T0187.t2k.frag # found chain 1afb1 in template set T0187 109 :FGGETVVHV 1afb1 195 :GGGEDCVTI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2054 # 1cdy.109.109 read from T0187.t2k.frag # found chain 1cdy in template set T0187 109 :FGGETVVHV 1cdy 110 :QGQSLTLTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2055 # 1rtm1.109.117 read from T0187.t2k.frag # adding 1rtm1 to template set 1rtm1:Skipped atom 144, because occupancy 0.5 <= existing 0.500001 Skipped atom 146, because occupancy 0.5 <= existing 0.500001 Skipped atom 148, because occupancy 0.5 <= existing 0.500001 Skipped atom 164, because occupancy 0.5 <= existing 0.500001 Skipped atom 166, because occupancy 0.5 <= existing 0.500001 Skipped atom 168, because occupancy 0.5 <= existing 0.500001 Skipped atom 241, because occupancy 0.4 <= existing 0.600001 Skipped atom 291, because occupancy 0.5 <= existing 0.500001 Skipped atom 432, because occupancy 0.5 <= existing 0.500001 Skipped atom 458, because occupancy 0.5 <= existing 0.500001 Skipped atom 742, because occupancy 0.5 <= existing 0.500001 Skipped atom 744, because occupancy 0.5 <= existing 0.500001 Skipped atom 746, because occupancy 0.5 <= existing 0.500001 Skipped atom 748, because occupancy 0.5 <= existing 0.500001 Skipped atom 810, because occupancy 0.5 <= existing 0.500001 Skipped atom 812, because occupancy 0.5 <= existing 0.500001 Skipped atom 814, because occupancy 0.5 <= existing 0.500001 Skipped atom 816, because occupancy 0.5 <= existing 0.500001 # found chain 1rtm1 in template set T0187 109 :FGGETVVHV 1rtm1 190 :GSGEDCVTI Fragment has 6 clashes (null) has 6 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.85519 Ang F2.CD2 and G3.CA neighbor-bump: 2.4192 Ang F2.CG and G3.N neighbor-bump: 2.14601 Ang F2.CD2 and G3.N neighbor-bump: 3.08733 Ang F2.CE2 and G3.N self-bump: 2.57467 Ang F2.CG and F2.C self-bump: 1.33853 Ang F2.CA and F2.CB Number of specific fragments= 1 total=2056 # 3cd4.109.109 read from T0187.t2k.frag # found chain 3cd4 in template set T0187 109 :FGGETVVHV 3cd4 110 :QGQSLTLTL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2057 # 1f5fA.109.115 read from T0187.t2k.frag # found chain 1f5fA in template set T0187 109 :FGGETVVHV 1f5fA 116 :VDGEEVLRL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.17188 Ang F2.CE1 and V7.CG2 other bump:2.15454 Ang F2.CD1 and V7.CG2 other bump:3.10275 Ang F2.CD1 and V7.CG1 Number of specific fragments= 1 total=2058 # 1crb.109.110 read from T0187.t2k.frag # found chain 1crb in template set T0187 109 :FGGETVVHV 1crb 111 :EGDELHLEM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.40123 Ang F2.CD2 and V7.CG2 other bump:2.68464 Ang F2.CE2 and V7.CG2 other bump:3.096 Ang F2.CE2 and V7.CB Number of specific fragments= 1 total=2059 # 1afb1.110.123 read from T0187.t2k.frag # found chain 1afb1 in template set T0187 110 :GGETVVHVK 1afb1 196 :GGEDCVTIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2060 # 1rtm1.110.118 read from T0187.t2k.frag # found chain 1rtm1 in template set T0187 110 :GGETVVHVK 1rtm1 191 :SGEDCVTIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2061 # 1cdy.110.110 read from T0187.t2k.frag # found chain 1cdy in template set T0187 110 :GGETVVHVK 1cdy 111 :GQSLTLTLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2062 # 1fs0G.110.111 read from T0187.t2k.frag # adding 1fs0G to template set 1fs0G:# found chain 1fs0G in template set T0187 110 :GGETVVHVK 1fs0G 130 :GGNVVAQVT Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56789 Ang V6.O and V7.CG2 neighbor-bump: 2.92552 Ang V6.C and V7.CG2 Number of specific fragments= 1 total=2063 # 3cd4.110.110 read from T0187.t2k.frag # found chain 3cd4 in template set T0187 110 :GGETVVHVK 3cd4 111 :GQSLTLTLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2064 # 1whsB.110.114 read from T0187.t2k.frag # adding 1whsB to template set 1whsB:# found chain 1whsB in template set T0187 110 :GGETVVHVK 1whsB 385 :KGLTLVSVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2065 # 1afb1.111.124 read from T0187.t2k.frag # found chain 1afb1 in template set T0187 111 :GETVVHVKG 1afb1 197 :GEDCVTIVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2066 # 1rtm1.111.119 read from T0187.t2k.frag # found chain 1rtm1 in template set T0187 111 :GETVVHVKG 1rtm1 192 :GEDCVTIVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2067 # 1cdy.111.111 read from T0187.t2k.frag # found chain 1cdy in template set T0187 111 :GETVVHVKG 1cdy 112 :QSLTLTLES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2068 # 1fs0G.111.112 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 111 :GETVVHVKG 1fs0G 131 :GNVVAQVTG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56789 Ang V5.O and V6.CG2 neighbor-bump: 2.92552 Ang V5.C and V6.CG2 Number of specific fragments= 1 total=2069 # 1whsB.111.115 read from T0187.t2k.frag # found chain 1whsB in template set T0187 111 :GETVVHVKG 1whsB 386 :GLTLVSVRG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2070 # 3cd4.111.111 read from T0187.t2k.frag # found chain 3cd4 in template set T0187 111 :GETVVHVKG 3cd4 112 :QSLTLTLES Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2071 # 1cdy.112.112 read from T0187.t2k.frag # found chain 1cdy in template set T0187 112 :ETVVHVKGN 1cdy 113 :SLTLTLESP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2072 # 1fs0G.112.113 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 112 :ETVVHVKGN 1fs0G 132 :NVVAQVTGM Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56789 Ang V4.O and V5.CG2 neighbor-bump: 2.92552 Ang V4.C and V5.CG2 Number of specific fragments= 1 total=2073 # 1afb1.112.125 read from T0187.t2k.frag # found chain 1afb1 in template set T0187 112 :ETVVHVKGN 1afb1 198 :EDCVTIVDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2074 # 1rtm1.112.120 read from T0187.t2k.frag # found chain 1rtm1 in template set T0187 112 :ETVVHVKGN 1rtm1 193 :EDCVTIVDN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2075 # 1whsB.112.116 read from T0187.t2k.frag # found chain 1whsB in template set T0187 112 :ETVVHVKGN 1whsB 387 :LTLVSVRGA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.88449 Ang V7.CG1 and N10.ND2 other bump:3.13123 Ang V7.CG1 and N10.CG Number of specific fragments= 1 total=2076 # 3cd4.112.112 read from T0187.t2k.frag # found chain 3cd4 in template set T0187 112 :ETVVHVKGN 3cd4 113 :SLTLTLESP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2077 # 1fs0G.113.114 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 113 :TVVHVKGNG 1fs0G 133 :VVAQVTGMG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56789 Ang V3.O and V4.CG2 neighbor-bump: 2.92552 Ang V3.C and V4.CG2 Number of specific fragments= 1 total=2078 # 1cdy.113.113 read from T0187.t2k.frag # found chain 1cdy in template set T0187 113 :TVVHVKGNG 1cdy 114 :LTLTLESPP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2079 # 1afb1.113.126 read from T0187.t2k.frag # found chain 1afb1 in template set T0187 113 :TVVHVKGNG 1afb1 199 :DCVTIVDNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2080 # 1rtm1.113.121 read from T0187.t2k.frag # found chain 1rtm1 in template set T0187 113 :TVVHVKGNG 1rtm1 194 :DCVTIVDNG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2081 # 1whsB.113.117 read from T0187.t2k.frag # found chain 1whsB in template set T0187 113 :TVVHVKGNG 1whsB 388 :TLVSVRGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2082 # 1whtB.113.117 read from T0187.t2k.frag # adding 1whtB to template set 1whtB:# found chain 1whtB in template set T0187 113 :TVVHVKGNG 1whtB 388 :TLVSVRGAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2083 # 1fs0G.114.115 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 114 :VVHVKGNGI 1fs0G 134 :VAQVTGMGD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.56789 Ang V2.O and V3.CG2 neighbor-bump: 2.92552 Ang V2.C and V3.CG2 Number of specific fragments= 1 total=2084 # 1cdy.114.114 read from T0187.t2k.frag # found chain 1cdy in template set T0187 114 :VVHVKGNGI 1cdy 115 :TLTLESPPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2085 # 1whsB.114.118 read from T0187.t2k.frag # found chain 1whsB in template set T0187 114 :VVHVKGNGI 1whsB 389 :LVSVRGAGH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2086 # 1rtm1.114.122 read from T0187.t2k.frag # found chain 1rtm1 in template set T0187 114 :VVHVKGNGI 1rtm1 195 :CVTIVDNGL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2087 # 3cd4.114.114 read from T0187.t2k.frag # found chain 3cd4 in template set T0187 114 :VVHVKGNGI 3cd4 115 :TLTLESPPG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2088 # 1whtB.114.118 read from T0187.t2k.frag # found chain 1whtB in template set T0187 114 :VVHVKGNGI 1whtB 389 :LVSVRGAGH Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2089 # 1fs0G.115.116 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 115 :VHVKGNGIG 1fs0G 135 :AQVTGMGDN Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.5679 Ang G1.O and V2.CG2 neighbor-bump: 2.92552 Ang G1.C and V2.CG2 Number of specific fragments= 1 total=2090 # 1ap8.115.116 read from T0187.t2k.frag # adding 1ap8 to template set 1ap8:# found chain 1ap8 in template set T0187 115 :VHVKGNGIG 1ap8 117 :FQLRGKGAD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59723 Ang H3.NE2 and K5.NZ Number of specific fragments= 1 total=2091 # 1l0oA.115.76 read from T0187.t2k.frag # adding 1l0oA to template set 1l0oA:# found chain 1l0oA in template set T0187 115 :VHVKGNGIG 1l0oA 77 :LTVRDEGVG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2092 # 1g8kB.115.118 read from T0187.t2k.frag # adding 1g8kB to template set 1g8kB:# found chain 1g8kB in template set T0187 115 :VHVKGNGIG 1g8kB 119 :VGVDGLIYG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2093 # 1whsB.115.119 read from T0187.t2k.frag # found chain 1whsB in template set T0187 115 :VHVKGNGIG 1whsB 390 :VSVRGAGHE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94693 Ang N7.CG and G11.CA other bump:2.53009 Ang N7.OD1 and G11.CA Number of specific fragments= 1 total=2094 # 1hcxA.115.115 read from T0187.t2k.frag # adding 1hcxA to template set 1hcxA:# found chain 1hcxA in template set T0187 115 :VHVKGNGIG 1hcxA 307 :FTVEPDGLI Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.15032 Ang K5.CG and I9.CG2 other bump:1.85008 Ang K5.CD and I9.CG2 other bump:2.94299 Ang K5.CE and I9.CG2 other bump:2.45643 Ang K5.CB and I9.CG2 other bump:3.18008 Ang K5.CD and I9.CB Number of specific fragments= 1 total=2095 # 1fs0G.116.117 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 116 :HVKGNGIGG 1fs0G 136 :QVTGMGDNP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2096 # 1ap8.116.117 read from T0187.t2k.frag # found chain 1ap8 in template set T0187 116 :HVKGNGIGG 1ap8 118 :QLRGKGADI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59724 Ang H2.NE2 and K4.NZ Number of specific fragments= 1 total=2097 # 1l0oA.116.77 read from T0187.t2k.frag # found chain 1l0oA in template set T0187 116 :HVKGNGIGG 1l0oA 78 :TVRDEGVGI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2098 # 2trcP.116.125 read from T0187.t2k.frag # adding 2trcP to template set 2trcP:# found chain 2trcP in template set T0187 116 :HVKGNGIGG 2trcP 139 :NIYEDGVRG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.89025 Ang K4.CE and G11.CA neighbor-bump: 2.55505 Ang K4.CG and G5.N Number of specific fragments= 1 total=2099 # 1g8kB.116.119 read from T0187.t2k.frag # found chain 1g8kB in template set T0187 116 :HVKGNGIGG 1g8kB 120 :GVDGLIYGR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2100 # 1whsB.116.120 read from T0187.t2k.frag # found chain 1whsB in template set T0187 116 :HVKGNGIGG 1whsB 391 :SVRGAGHEV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94693 Ang N6.CG and G10.CA other bump:2.53009 Ang N6.OD1 and G10.CA Number of specific fragments= 1 total=2101 # 1fs0G.117.118 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 117 :VKGNGIGGR 1fs0G 137 :VTGMGDNPS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2102 # 1l0oA.117.78 read from T0187.t2k.frag # found chain 1l0oA in template set T0187 117 :VKGNGIGGR 1l0oA 79 :VRDEGVGIP Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2103 # 2trcP.117.126 read from T0187.t2k.frag # found chain 2trcP in template set T0187 117 :VKGNGIGGR 2trcP 140 :IYEDGVRGC Fragment has 42 clashes (null) has 42 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84769 Ang K3.NZ and G11.CA other bump:2.50196 Ang K3.NZ and G11.N other bump:2.82982 Ang K3.CE and R10.C other bump:2.41527 Ang K3.NZ and R10.C other bump:1.94392 Ang K3.C and R10.NH2 other bump:2.25988 Ang G4.N and R10.NH2 other bump:2.30009 Ang K3.CA and R10.NH2 other bump:1.43328 Ang K3.CB and R10.NH2 other bump:2.13607 Ang K3.CG and R10.NH2 other bump:2.44357 Ang K3.C and R10.NH1 other bump:1.40338 Ang G4.N and R10.NH1 other bump:1.27433 Ang G4.CA and R10.NH1 other bump:1.54019 Ang G4.C and R10.NH1 other bump:2.28503 Ang N5.N and R10.NH1 other bump:2.65185 Ang K3.CG and R10.NH1 other bump:1.80047 Ang K3.C and R10.CZ other bump:1.26269 Ang G4.N and R10.CZ other bump:2.41226 Ang K3.CA and R10.CZ other bump:1.8714 Ang K3.CB and R10.CZ other bump:2.24625 Ang G4.CA and R10.CZ other bump:2.69416 Ang G4.C and R10.CZ other bump:1.57508 Ang K3.CG and R10.CZ other bump:2.26659 Ang K3.C and R10.NE other bump:1.7386 Ang G4.N and R10.NE other bump:2.19064 Ang K3.CA and R10.NE other bump:1.87589 Ang K3.CB and R10.NE other bump:1.10702 Ang K3.CG and R10.NE other bump:2.55872 Ang K3.CD and R10.NE other bump:3.20956 Ang K3.CE and R10.NE other bump:2.41997 Ang G4.N and R10.CD other bump:3.29618 Ang K3.CA and R10.CD other bump:2.28402 Ang G4.O and R10.CD other bump:3.06621 Ang G4.C and R10.CD other bump:2.2268 Ang K3.CG and R10.CD other bump:2.42048 Ang I7.CG2 and R10.CD other bump:2.83268 Ang K3.CG and R10.CG other bump:2.75539 Ang I7.CG2 and R10.CG other bump:2.95924 Ang K3.CG and R10.CB other bump:2.80618 Ang K3.CD and R10.CB other bump:1.98503 Ang K3.CE and R10.CB other bump:2.89025 Ang K3.CE and R10.CA neighbor-bump: 2.55505 Ang K3.CG and G4.N Number of specific fragments= 1 total=2104 # 1ap8.117.118 read from T0187.t2k.frag # found chain 1ap8 in template set T0187 117 :VKGNGIGGR 1ap8 119 :LRGKGADID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2105 # 1fjgI.117.64 read from T0187.t2k.frag # adding 1fjgI to template set 1fjgI:# found chain 1fjgI in template set T0187 117 :VKGNGIGGR 1fjgI 65 :VRGGGKSGQ Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.86571 Ang V2.CG1 and R10.NH2 other bump:2.15047 Ang V2.CG1 and R10.CZ other bump:1.87176 Ang V2.CG1 and R10.NE other bump:3.19755 Ang V2.CG1 and R10.CD self-bump: 2.67296 Ang V2.CG1 and V2.O Number of specific fragments= 1 total=2106 # 1g8kB.117.120 read from T0187.t2k.frag # found chain 1g8kB in template set T0187 117 :VKGNGIGGR 1g8kB 121 :VDGLIYGRQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2107 # 1fs0G.118.119 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 118 :KGNGIGGRN 1fs0G 138 :TGMGDNPSL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36598 Ang N10.CA and N10.CB Number of specific fragments= 1 total=2108 # 2trcP.118.127 read from T0187.t2k.frag # found chain 2trcP in template set T0187 118 :KGNGIGGRN 2trcP 141 :YEDGVRGCD Fragment has 32 clashes (null) has 32 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9439 Ang K2.C and R9.NH2 other bump:2.30006 Ang K2.CA and R9.NH2 other bump:1.64905 Ang K2.CB and R9.NH2 other bump:2.25988 Ang G3.N and R9.NH2 other bump:1.22993 Ang K2.CG and R9.NH2 other bump:2.47881 Ang K2.CD and R9.NH2 other bump:2.91934 Ang K2.CE and R9.NH2 other bump:2.44356 Ang K2.C and R9.NH1 other bump:1.40336 Ang G3.N and R9.NH1 other bump:1.27432 Ang G3.CA and R9.NH1 other bump:1.54019 Ang G3.C and R9.NH1 other bump:2.28504 Ang N4.N and R9.NH1 other bump:2.3473 Ang K2.CG and R9.NH1 other bump:1.80044 Ang K2.C and R9.CZ other bump:2.41223 Ang K2.CA and R9.CZ other bump:2.04044 Ang K2.CB and R9.CZ other bump:1.26267 Ang G3.N and R9.CZ other bump:2.24625 Ang G3.CA and R9.CZ other bump:2.69417 Ang G3.C and R9.CZ other bump:1.2719 Ang K2.CG and R9.CZ other bump:2.26658 Ang K2.C and R9.NE other bump:2.19062 Ang K2.CA and R9.NE other bump:1.9141 Ang K2.CB and R9.NE other bump:1.73859 Ang G3.N and R9.NE other bump:1.78901 Ang K2.CG and R9.NE other bump:3.29618 Ang K2.CA and R9.CD other bump:2.41997 Ang G3.N and R9.CD other bump:2.28401 Ang G3.O and R9.CD other bump:3.06621 Ang G3.C and R9.CD other bump:2.42048 Ang I6.CG2 and R9.CD other bump:2.75539 Ang I6.CG2 and R9.CG neighbor-bump: 2.51294 Ang K2.CG and G3.N Number of specific fragments= 1 total=2109 # 1fjgI.118.65 read from T0187.t2k.frag # found chain 1fjgI in template set T0187 118 :KGNGIGGRN 1fjgI 66 :RGGGKSGQI Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.29981 Ang G1.C and R9.NH2 other bump:2.91233 Ang G1.C and R9.CZ Number of specific fragments= 1 total=2110 # 1l0oA.118.79 read from T0187.t2k.frag # found chain 1l0oA in template set T0187 118 :KGNGIGGRN 1l0oA 80 :RDEGVGIPD Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.35368 Ang R9.CA and R9.CB Number of specific fragments= 1 total=2111 # 1sup.118.121 read from T0187.t2k.frag # adding 1sup to template set 1sup:Skipped atom 21, because occupancy 0.28 <= existing 0.720001 Skipped atom 174, because occupancy 0.3 <= existing 0.700001 Skipped atom 421, because occupancy 0.32 <= existing 0.680001 Skipped atom 423, because occupancy 0.32 <= existing 0.680001 Skipped atom 425, because occupancy 0.32 <= existing 0.680001 Skipped atom 427, because occupancy 0.32 <= existing 0.680001 Skipped atom 458, because occupancy 0.15 <= existing 0.700001 Skipped atom 459, because occupancy 0.15 <= existing 0.700001 Skipped atom 466, because occupancy 0.2 <= existing 0.800001 Skipped atom 468, because occupancy 0.2 <= existing 0.800001 Skipped atom 470, because occupancy 0.2 <= existing 0.800001 Skipped atom 472, because occupancy 0.2 <= existing 0.800001 Skipped atom 474, because occupancy 0.2 <= existing 0.800001 Skipped atom 518, because occupancy 0.15 <= existing 0.850001 Skipped atom 520, because occupancy 0.15 <= existing 0.850001 Skipped atom 568, because occupancy 0.2 <= existing 0.800001 Skipped atom 675, because occupancy 0.32 <= existing 0.680001 Skipped atom 677, because occupancy 0.32 <= existing 0.680001 Skipped atom 679, because occupancy 0.32 <= existing 0.680001 Skipped atom 688, because occupancy 0.33 <= existing 0.670001 Skipped atom 690, because occupancy 0.33 <= existing 0.670001 Skipped atom 692, because occupancy 0.33 <= existing 0.670001 Skipped atom 694, because occupancy 0.33 <= existing 0.670001 Skipped atom 696, because occupancy 0.33 <= existing 0.670001 Skipped atom 698, because occupancy 0.33 <= existing 0.670001 Skipped atom 700, because occupancy 0.33 <= existing 0.670001 Skipped atom 702, because occupancy 0.33 <= existing 0.670001 Skipped atom 704, because occupancy 0.33 <= existing 0.670001 Skipped atom 706, because occupancy 0.33 <= existing 0.670001 Skipped atom 708, because occupancy 0.33 <= existing 0.670001 Skipped atom 710, because occupancy 0.33 <= existing 0.670001 Skipped atom 712, because occupancy 0.33 <= existing 0.670001 Skipped atom 714, because occupancy 0.33 <= existing 0.670001 Skipped atom 716, because occupancy 0.33 <= existing 0.670001 Skipped atom 718, because occupancy 0.33 <= existing 0.670001 Skipped atom 720, because occupancy 0.33 <= existing 0.670001 Skipped atom 722, because occupancy 0.33 <= existing 0.670001 Skipped atom 724, because occupancy 0.33 <= existing 0.670001 Skipped atom 726, because occupancy 0.33 <= existing 0.670001 Skipped atom 728, because occupancy 0.33 <= existing 0.670001 Skipped atom 730, because occupancy 0.33 <= existing 0.670001 Skipped atom 732, because occupancy 0.33 <= existing 0.670001 Skipped atom 734, because occupancy 0.33 <= existing 0.670001 Skipped atom 736, because occupancy 0.33 <= existing 0.670001 Skipped atom 1217, because occupancy 0.32 <= existing 0.680001 Skipped atom 1219, because occupancy 0.32 <= existing 0.680001 Skipped atom 1271, because occupancy 0.15 <= existing 0.850001 Skipped atom 1273, because occupancy 0.15 <= existing 0.850001 Skipped atom 1589, because occupancy 0.3 <= existing 0.700001 Skipped atom 1591, because occupancy 0.3 <= existing 0.700001 Skipped atom 1593, because occupancy 0.3 <= existing 0.700001 Skipped atom 1786, because occupancy 0.45 <= existing 0.550001 Skipped atom 1793, because occupancy 0.37 <= existing 0.450001 Skipped atom 1794, because occupancy 0.18 <= existing 0.450001 Skipped atom 1840, because occupancy 0.25 <= existing 0.750001 Skipped atom 1842, because occupancy 0.25 <= existing 0.750001 Skipped atom 1853, because occupancy 0.28 <= existing 0.720001 Skipped atom 1855, because occupancy 0.28 <= existing 0.720001 Skipped atom 1857, because occupancy 0.28 <= existing 0.720001 Skipped atom 1859, because occupancy 0.28 <= existing 0.720001 Skipped atom 1861, because occupancy 0.28 <= existing 0.720001 Skipped atom 1863, because occupancy 0.28 <= existing 0.720001 Skipped atom 1865, because occupancy 0.28 <= existing 0.720001 Skipped atom 1867, because occupancy 0.28 <= existing 0.720001 Skipped atom 1869, because occupancy 0.28 <= existing 0.720001 Skipped atom 1871, because occupancy 0.28 <= existing 0.720001 Skipped atom 1873, because occupancy 0.28 <= existing 0.720001 Skipped atom 1875, because occupancy 0.28 <= existing 0.720001 Skipped atom 1877, because occupancy 0.28 <= existing 0.720001 Skipped atom 1879, because occupancy 0.28 <= existing 0.720001 Skipped atom 1881, because occupancy 0.28 <= existing 0.720001 Skipped atom 1883, because occupancy 0.28 <= existing 0.720001 Skipped atom 1885, because occupancy 0.28 <= existing 0.720001 Skipped atom 1887, because occupancy 0.28 <= existing 0.720001 Skipped atom 1889, because occupancy 0.28 <= existing 0.720001 Skipped atom 1891, because occupancy 0.28 <= existing 0.720001 Skipped atom 1980, because occupancy 0.38 <= existing 0.450001 Skipped atom 1981, because occupancy 0.17 <= existing 0.450001 Skipped atom 1983, because occupancy 0.38 <= existing 0.450001 Skipped atom 1984, because occupancy 0.17 <= existing 0.450001 # found chain 1sup in template set T0187 118 :KGNGIGGRN 1sup 122 :INMSLGGPS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63953 Ang K2.CD and N4.ND2 Number of specific fragments= 1 total=2112 # 1g7oA.118.124 read from T0187.t2k.frag # adding 1g7oA to template set 1g7oA:# found chain 1g7oA in template set T0187 118 :KGNGIGGRN 1g7oA 125 :KKEASAGNF Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.6946 Ang G1.O and I6.CD1 other bump:2.28311 Ang G1.O and I6.CG1 Number of specific fragments= 1 total=2113 # 1fs0G.119.120 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 119 :GNGIGGRNQ 1fs0G 139 :GMGDNPSLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36598 Ang N9.CA and N9.CB Number of specific fragments= 1 total=2114 # 2trcP.119.128 read from T0187.t2k.frag # found chain 2trcP in template set T0187 119 :GNGIGGRNQ 2trcP 142 :EDGVRGCDA Fragment has 18 clashes (null) has 18 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.9439 Ang G1.C and R8.NH2 other bump:2.25988 Ang G2.N and R8.NH2 other bump:2.44356 Ang G1.C and R8.NH1 other bump:1.40336 Ang G2.N and R8.NH1 other bump:1.27432 Ang G2.CA and R8.NH1 other bump:1.54019 Ang G2.C and R8.NH1 other bump:2.28504 Ang N3.N and R8.NH1 other bump:1.80044 Ang G1.C and R8.CZ other bump:1.26267 Ang G2.N and R8.CZ other bump:2.24625 Ang G2.CA and R8.CZ other bump:2.69417 Ang G2.C and R8.CZ other bump:2.26658 Ang G1.C and R8.NE other bump:1.73859 Ang G2.N and R8.NE other bump:2.41997 Ang G2.N and R8.CD other bump:2.42048 Ang I5.CG2 and R8.CD other bump:2.28401 Ang G2.O and R8.CD other bump:3.06621 Ang G2.C and R8.CD other bump:2.75539 Ang I5.CG2 and R8.CG Number of specific fragments= 1 total=2115 # 1g7oA.119.125 read from T0187.t2k.frag # found chain 1g7oA in template set T0187 119 :GNGIGGRNQ 1g7oA 126 :KEASAGNFA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2116 # 1sup.119.122 read from T0187.t2k.frag # found chain 1sup in template set T0187 119 :GNGIGGRNQ 1sup 123 :NMSLGGPSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2117 # 1nedA.119.120 read from T0187.t2k.frag # adding 1nedA to template set 1nedA:# found chain 1nedA in template set T0187 119 :GNGIGGRNQ 1nedA 126 :AIGSGGPYA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.53663 Ang N3.CG and G4.N Number of specific fragments= 1 total=2118 # 1fjgI.119.66 read from T0187.t2k.frag # found chain 1fjgI in template set T0187 119 :GNGIGGRNQ 1fjgI 67 :GGGKSGQID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2119 # 1fs0G.120.121 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 120 :NGIGGRNQE 1fs0G 140 :MGDNPSLSE Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36598 Ang N8.CA and N8.CB Number of specific fragments= 1 total=2120 # 2trcP.120.129 read from T0187.t2k.frag # found chain 2trcP in template set T0187 120 :NGIGGRNQE 2trcP 143 :DGVRGCDAL Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.54019 Ang G1.C and R7.NH1 other bump:2.28504 Ang N2.N and R7.NH1 other bump:2.69417 Ang G1.C and R7.CZ other bump:2.28401 Ang G1.O and R7.CD other bump:3.06621 Ang G1.C and R7.CD other bump:2.42048 Ang I4.CG2 and R7.CD other bump:2.75539 Ang I4.CG2 and R7.CG Number of specific fragments= 1 total=2121 # 1g7oA.120.126 read from T0187.t2k.frag # found chain 1g7oA in template set T0187 120 :NGIGGRNQE 1g7oA 127 :EASAGNFAD Fragment has 5 clashes (null) has 5 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.72471 Ang R7.CZ and E10.OE2 other bump:2.06663 Ang R7.NH1 and E10.OE2 other bump:2.84403 Ang R7.CZ and E10.CD other bump:1.69451 Ang R7.NH1 and E10.CD other bump:2.60387 Ang R7.NH1 and E10.CB Number of specific fragments= 1 total=2122 # 1sup.120.123 read from T0187.t2k.frag # found chain 1sup in template set T0187 120 :NGIGGRNQE 1sup 124 :MSLGGPSGS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2123 # 1nedA.120.121 read from T0187.t2k.frag # found chain 1nedA in template set T0187 120 :NGIGGRNQE 1nedA 127 :IGSGGPYAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2124 # 1exrA.120.130 read from T0187.t2k.frag # found chain 1exrA in training set T0187 120 :NGIGGRNQE 1exrA 131 :DGDGHINYE Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.84434 Ang N2.ND2 and I4.CD1 other bump:2.86685 Ang N2.ND2 and I4.CG1 Number of specific fragments= 1 total=2125 # 1fs0G.121.122 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 121 :GIGGRNQEL 1fs0G 141 :GDNPSLSEL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36598 Ang N7.CA and N7.CB Number of specific fragments= 1 total=2126 # 1it2A.121.124 read from T0187.t2k.frag # adding 1it2A to template set 1it2A:# found chain 1it2A in template set T0187 121 :GIGGRNQEL 1it2A 125 :IDGGAEFEK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2127 # 1exrA.121.131 read from T0187.t2k.frag # found chain 1exrA in training set T0187 121 :GIGGRNQEL 1exrA 132 :GDGHINYEE Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.18846 Ang R6.CD and G11.CA other bump:1.95833 Ang R6.NE and G11.CA other bump:1.86287 Ang R6.NH2 and G11.CA other bump:1.9346 Ang R6.CZ and G11.CA other bump:2.40402 Ang R6.NE and G11.N other bump:3.01114 Ang R6.CZ and G11.N other bump:2.87979 Ang R6.NE and L10.C Number of specific fragments= 1 total=2128 # 1enfA.121.128 read from T0187.t2k.frag # adding 1enfA to template set 1enfA:Skipped atom 359, because occupancy 0.5 <= existing 0.500001 Skipped atom 361, because occupancy 0.5 <= existing 0.500001 Skipped atom 363, because occupancy 0.5 <= existing 0.500001 Skipped atom 365, because occupancy 0.5 <= existing 0.500001 Skipped atom 367, because occupancy 0.5 <= existing 0.500001 Skipped atom 369, because occupancy 0.5 <= existing 0.500001 Skipped atom 371, because occupancy 0.5 <= existing 0.500001 Skipped atom 373, because occupancy 0.5 <= existing 0.500001 Skipped atom 375, because occupancy 0.5 <= existing 0.500001 Skipped atom 684, because occupancy 0.5 <= existing 0.500001 Skipped atom 686, because occupancy 0.5 <= existing 0.500001 Skipped atom 688, because occupancy 0.5 <= existing 0.500001 Skipped atom 690, because occupancy 0.5 <= existing 0.500001 Skipped atom 692, because occupancy 0.5 <= existing 0.500001 Skipped atom 694, because occupancy 0.5 <= existing 0.500001 Skipped atom 721, because occupancy 0.5 <= existing 0.500001 Skipped atom 723, because occupancy 0.5 <= existing 0.500001 Skipped atom 725, because occupancy 0.5 <= existing 0.500001 Skipped atom 727, because occupancy 0.5 <= existing 0.500001 Skipped atom 729, because occupancy 0.5 <= existing 0.500001 Skipped atom 731, because occupancy 0.5 <= existing 0.500001 Skipped atom 748, because occupancy 0.5 <= existing 0.500001 Skipped atom 750, because occupancy 0.5 <= existing 0.500001 Skipped atom 752, because occupancy 0.5 <= existing 0.500001 Skipped atom 754, because occupancy 0.5 <= existing 0.500001 Skipped atom 756, because occupancy 0.5 <= existing 0.500001 Skipped atom 758, because occupancy 0.5 <= existing 0.500001 Skipped atom 760, because occupancy 0.5 <= existing 0.500001 Skipped atom 762, because occupancy 0.5 <= existing 0.500001 Skipped atom 820, because occupancy 0.5 <= existing 0.500001 Skipped atom 822, because occupancy 0.5 <= existing 0.500001 Skipped atom 824, because occupancy 0.5 <= existing 0.500001 Skipped atom 826, because occupancy 0.5 <= existing 0.500001 Skipped atom 828, because occupancy 0.5 <= existing 0.500001 Skipped atom 830, because occupancy 0.5 <= existing 0.500001 Skipped atom 832, because occupancy 0.5 <= existing 0.500001 Skipped atom 834, because occupancy 0.5 <= existing 0.500001 Skipped atom 836, because occupancy 0.5 <= existing 0.500001 Skipped atom 913, because occupancy 0.5 <= existing 0.500001 Skipped atom 915, because occupancy 0.5 <= existing 0.500001 Skipped atom 917, because occupancy 0.5 <= existing 0.500001 Skipped atom 919, because occupancy 0.5 <= existing 0.500001 Skipped atom 921, because occupancy 0.5 <= existing 0.500001 Skipped atom 923, because occupancy 0.5 <= existing 0.500001 Skipped atom 925, because occupancy 0.5 <= existing 0.500001 Skipped atom 927, because occupancy 0.5 <= existing 0.500001 Skipped atom 936, because occupancy 0.5 <= existing 0.500001 Skipped atom 938, because occupancy 0.5 <= existing 0.500001 Skipped atom 940, because occupancy 0.5 <= existing 0.500001 Skipped atom 942, because occupancy 0.5 <= existing 0.500001 Skipped atom 944, because occupancy 0.5 <= existing 0.500001 Skipped atom 946, because occupancy 0.5 <= existing 0.500001 Skipped atom 948, because occupancy 0.5 <= existing 0.500001 Skipped atom 950, because occupancy 0.5 <= existing 0.500001 Skipped atom 952, because occupancy 0.5 <= existing 0.500001 Skipped atom 954, because occupancy 0.5 <= existing 0.500001 Skipped atom 956, because occupancy 0.5 <= existing 0.500001 Skipped atom 958, because occupancy 0.5 <= existing 0.500001 Skipped atom 960, because occupancy 0.5 <= existing 0.500001 Skipped atom 962, because occupancy 0.5 <= existing 0.500001 Skipped atom 1295, because occupancy 0.5 <= existing 0.500001 Skipped atom 1297, because occupancy 0.5 <= existing 0.500001 Skipped atom 1299, because occupancy 0.5 <= existing 0.500001 Skipped atom 1301, because occupancy 0.5 <= existing 0.500001 Skipped atom 1303, because occupancy 0.5 <= existing 0.500001 Skipped atom 1305, because occupancy 0.5 <= existing 0.500001 Skipped atom 1307, because occupancy 0.5 <= existing 0.500001 Skipped atom 1309, because occupancy 0.5 <= existing 0.500001 Skipped atom 1311, because occupancy 0.5 <= existing 0.500001 Skipped atom 1388, because occupancy 0.5 <= existing 0.500001 Skipped atom 1390, because occupancy 0.5 <= existing 0.500001 Skipped atom 1392, because occupancy 0.5 <= existing 0.500001 Skipped atom 1394, because occupancy 0.5 <= existing 0.500001 Skipped atom 1396, because occupancy 0.5 <= existing 0.500001 Skipped atom 1398, because occupancy 0.5 <= existing 0.500001 Skipped atom 1400, because occupancy 0.5 <= existing 0.500001 Skipped atom 1402, because occupancy 0.5 <= existing 0.500001 Skipped atom 1404, because occupancy 0.5 <= existing 0.500001 Skipped atom 1406, because occupancy 0.5 <= existing 0.500001 Skipped atom 1408, because occupancy 0.5 <= existing 0.500001 Skipped atom 1757, because occupancy 0.5 <= existing 0.500001 Skipped atom 1759, because occupancy 0.5 <= existing 0.500001 Skipped atom 1761, because occupancy 0.5 <= existing 0.500001 Skipped atom 1763, because occupancy 0.5 <= existing 0.500001 Skipped atom 1765, because occupancy 0.5 <= existing 0.500001 Skipped atom 1767, because occupancy 0.5 <= existing 0.500001 Skipped atom 1769, because occupancy 0.5 <= existing 0.500001 Skipped atom 1771, because occupancy 0.5 <= existing 0.500001 # found chain 1enfA in template set T0187 121 :GIGGRNQEL 1enfA 130 :KKNVTLQEL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2129 # 1devC.121.121 read from T0187.t2k.frag # adding 1devC to template set 1devC:# found chain 1devC in template set T0187 121 :GIGGRNQEL 1devC 382 :LKIFNNQEF Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.12642 Ang R6.CZ and E9.OE2 other bump:2.59256 Ang R6.CD and E9.OE2 other bump:1.47931 Ang R6.NH1 and E9.OE2 other bump:1.78903 Ang R6.NH1 and E9.OE1 other bump:2.98018 Ang R6.NE and E9.CD other bump:2.71018 Ang R6.CZ and E9.CD other bump:2.57463 Ang R6.CD and E9.CD other bump:1.74467 Ang R6.NH1 and E9.CD other bump:2.69644 Ang R6.CD and E9.CG Number of specific fragments= 1 total=2130 # 1sup.121.124 read from T0187.t2k.frag # found chain 1sup in template set T0187 121 :GIGGRNQEL 1sup 125 :SLGGPSGSA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2131 # 1devC.122.122 read from T0187.t2k.frag # found chain 1devC in template set T0187 122 :IGGRNQELA 1devC 383 :KIFNNQEFA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:1.47931 Ang R5.NH1 and E8.OE2 other bump:2.12642 Ang R5.CZ and E8.OE2 other bump:2.59256 Ang R5.CD and E8.OE2 other bump:1.78903 Ang R5.NH1 and E8.OE1 other bump:1.74467 Ang R5.NH1 and E8.CD other bump:2.98018 Ang R5.NE and E8.CD other bump:2.71018 Ang R5.CZ and E8.CD other bump:2.57463 Ang R5.CD and E8.CD other bump:2.69644 Ang R5.CD and E8.CG Number of specific fragments= 1 total=2132 # 1it2A.122.125 read from T0187.t2k.frag # found chain 1it2A in template set T0187 122 :IGGRNQELA 1it2A 126 :DGGAEFEKL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2133 # 1exrA.122.132 read from T0187.t2k.frag # found chain 1exrA in training set T0187 122 :IGGRNQELA 1exrA 133 :DGHINYEEF Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63603 Ang R5.CZ and A10.C other bump:1.70166 Ang R5.NH2 and A10.C other bump:2.61508 Ang R5.CZ and A10.O other bump:1.36586 Ang R5.NH2 and A10.O other bump:2.68478 Ang R5.NE and A10.CB other bump:2.65308 Ang R5.CZ and A10.CB other bump:2.96507 Ang R5.NH2 and A10.CB other bump:3.18846 Ang R5.CD and A10.CA other bump:1.95833 Ang R5.NE and A10.CA other bump:1.9346 Ang R5.CZ and A10.CA other bump:1.86287 Ang R5.NH2 and A10.CA other bump:2.40402 Ang R5.NE and A10.N other bump:3.01114 Ang R5.CZ and A10.N other bump:2.87979 Ang R5.NE and L9.C Number of specific fragments= 1 total=2134 # 1sup.122.125 read from T0187.t2k.frag # found chain 1sup in template set T0187 122 :IGGRNQELA 1sup 126 :LGGPSGSAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2135 # 1fs0G.122.123 read from T0187.t2k.frag # found chain 1fs0G in template set T0187 122 :IGGRNQELA 1fs0G 142 :DNPSLSELI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.36598 Ang N6.CA and N6.CB Number of specific fragments= 1 total=2136 # 1enfA.122.129 read from T0187.t2k.frag # found chain 1enfA in template set T0187 122 :IGGRNQELA 1enfA 131 :KNVTLQELD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2137 # 1devC.123.123 read from T0187.t2k.frag # found chain 1devC in template set T0187 123 :GGRNQELAL 1devC 384 :IFNNQEFAA Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59256 Ang R4.CD and E7.OE2 other bump:2.12642 Ang R4.CZ and E7.OE2 other bump:1.47931 Ang R4.NH1 and E7.OE2 other bump:1.78903 Ang R4.NH1 and E7.OE1 other bump:2.57463 Ang R4.CD and E7.CD other bump:2.98018 Ang R4.NE and E7.CD other bump:2.71018 Ang R4.CZ and E7.CD other bump:1.74467 Ang R4.NH1 and E7.CD other bump:2.69644 Ang R4.CD and E7.CG Number of specific fragments= 1 total=2138 # 1it2A.123.126 read from T0187.t2k.frag # found chain 1it2A in template set T0187 123 :GGRNQELAL 1it2A 127 :GGAEFEKLF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2139 # 1sup.123.126 read from T0187.t2k.frag # found chain 1sup in template set T0187 123 :GGRNQELAL 1sup 127 :GGPSGSAAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2140 # 1b24A.123.127 read from T0187.t2k.frag # adding 1b24A to template set 1b24A:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # found chain 1b24A in template set T0187 123 :GGRNQELAL 1b24A 128 :WNKNKALLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2141 # 1k3bB.123.123 read from T0187.t2k.frag # adding 1k3bB to template set 1k3bB:# found chain 1k3bB in template set T0187 123 :GGRNQELAL 1k3bB 330 :GCNEALMKL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.39839 Ang N5.CA and N5.CB Number of specific fragments= 1 total=2142 # 1exrA.123.133 read from T0187.t2k.frag # found chain 1exrA in training set T0187 123 :GGRNQELAL 1exrA 134 :GHINYEEFV Fragment has 14 clashes (null) has 14 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.63603 Ang R4.CZ and A9.C other bump:1.70166 Ang R4.NH2 and A9.C other bump:2.61508 Ang R4.CZ and A9.O other bump:1.36586 Ang R4.NH2 and A9.O other bump:2.68478 Ang R4.NE and A9.CB other bump:2.65308 Ang R4.CZ and A9.CB other bump:2.96507 Ang R4.NH2 and A9.CB other bump:3.18846 Ang R4.CD and A9.CA other bump:1.95833 Ang R4.NE and A9.CA other bump:1.9346 Ang R4.CZ and A9.CA other bump:1.86287 Ang R4.NH2 and A9.CA other bump:2.40402 Ang R4.NE and A9.N other bump:3.01114 Ang R4.CZ and A9.N other bump:2.87979 Ang R4.NE and L8.C Number of specific fragments= 1 total=2143 # 1devC.124.124 read from T0187.t2k.frag # found chain 1devC in template set T0187 124 :GRNQELALS 1devC 385 :FNNQEFAAL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59256 Ang R3.CD and E6.OE2 other bump:2.12642 Ang R3.CZ and E6.OE2 other bump:1.47931 Ang R3.NH1 and E6.OE2 other bump:1.78903 Ang R3.NH1 and E6.OE1 other bump:2.57463 Ang R3.CD and E6.CD other bump:2.98018 Ang R3.NE and E6.CD other bump:2.71018 Ang R3.CZ and E6.CD other bump:1.74467 Ang R3.NH1 and E6.CD other bump:2.69644 Ang R3.CD and E6.CG Number of specific fragments= 1 total=2144 # 1sup.124.127 read from T0187.t2k.frag # found chain 1sup in template set T0187 124 :GRNQELALS 1sup 128 :GPSGSAALK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2145 # 1b24A.124.128 read from T0187.t2k.frag # found chain 1b24A in template set T0187 124 :GRNQELALS 1b24A 129 :NKNKALLEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2146 # 1knqA.124.127 read from T0187.t2k.frag # adding 1knqA to template set 1knqA:Skipped atom 277, because occupancy 0.5 <= existing 0.500001 Skipped atom 279, because occupancy 0.5 <= existing 0.500001 Skipped atom 506, because occupancy 0.5 <= existing 0.500001 Skipped atom 508, because occupancy 0.5 <= existing 0.500001 # found chain 1knqA in template set T0187 124 :GRNQELALS 1knqA 128 :FFKTQMLVT Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2147 # 1colA.124.127 read from T0187.t2k.frag # adding 1colA to template set 1colA:# found chain 1colA in template set T0187 124 :GRNQELALS 1colA 128 :GNWGPLMLE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2148 # 1it2A.124.127 read from T0187.t2k.frag # found chain 1it2A in template set T0187 124 :GRNQELALS 1it2A 128 :GAEFEKLFS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2149 # 1devC.125.125 read from T0187.t2k.frag # found chain 1devC in template set T0187 125 :RNQELALSA 1devC 386 :NNQEFAALL Fragment has 9 clashes (null) has 9 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.59254 Ang R2.CD and E5.OE2 other bump:2.12641 Ang R2.CZ and E5.OE2 other bump:1.47933 Ang R2.NH1 and E5.OE2 other bump:1.78902 Ang R2.NH1 and E5.OE1 other bump:2.57462 Ang R2.CD and E5.CD other bump:2.98017 Ang R2.NE and E5.CD other bump:2.71017 Ang R2.CZ and E5.CD other bump:1.74468 Ang R2.NH1 and E5.CD other bump:2.69643 Ang R2.CD and E5.CG Number of specific fragments= 1 total=2150 # 1sup.125.128 read from T0187.t2k.frag # found chain 1sup in template set T0187 125 :RNQELALSA 1sup 129 :PSGSAALKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2151 # 1b24A.125.129 read from T0187.t2k.frag # found chain 1b24A in template set T0187 125 :RNQELALSA 1b24A 130 :KNKALLEIV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2152 # 1knqA.125.128 read from T0187.t2k.frag # found chain 1knqA in template set T0187 125 :RNQELALSA 1knqA 129 :FKTQMLVTQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2153 # 1k8kF.125.129 read from T0187.t2k.frag # adding 1k8kF to template set 1k8kF:# found chain 1k8kF in template set T0187 125 :RNQELALSA 1k8kF 130 :KLVDFVIHF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2154 # 1colA.125.128 read from T0187.t2k.frag # found chain 1colA in template set T0187 125 :RNQELALSA 1colA 129 :NWGPLMLEV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2155 # 1devC.126.126 read from T0187.t2k.frag # found chain 1devC in template set T0187 126 :NQELALSAA 1devC 387 :NQEFAALLA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2156 # 1sup.126.129 read from T0187.t2k.frag # found chain 1sup in template set T0187 126 :NQELALSAA 1sup 130 :SGSAALKAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2157 # 1b24A.126.130 read from T0187.t2k.frag # found chain 1b24A in template set T0187 126 :NQELALSAA 1b24A 131 :NKALLEIVS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2158 # 1k8kF.126.130 read from T0187.t2k.frag # found chain 1k8kF in template set T0187 126 :NQELALSAA 1k8kF 131 :LVDFVIHFM Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2159 # 1knqA.126.129 read from T0187.t2k.frag # found chain 1knqA in template set T0187 126 :NQELALSAA 1knqA 130 :KTQMLVTQF Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2160 # 1bebA.126.128 read from T0187.t2k.frag # adding 1bebA to template set 1bebA:# found chain 1bebA in template set T0187 126 :NQELALSAA 1bebA 129 :DDEALEKFD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2161 # 1devC.127.127 read from T0187.t2k.frag # found chain 1devC in template set T0187 127 :QELALSAAI 1devC 388 :QEFAALLAQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2162 # 1sup.127.130 read from T0187.t2k.frag # found chain 1sup in template set T0187 127 :QELALSAAI 1sup 131 :GSAALKAAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2163 # 1k8kF.127.131 read from T0187.t2k.frag # found chain 1k8kF in template set T0187 127 :QELALSAAI 1k8kF 132 :VDFVIHFME Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2164 # 1b24A.127.131 read from T0187.t2k.frag # found chain 1b24A in template set T0187 127 :QELALSAAI 1b24A 132 :KALLEIVSR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2165 # 1knqA.127.130 read from T0187.t2k.frag # found chain 1knqA in template set T0187 127 :QELALSAAI 1knqA 131 :TQMLVTQFE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2166 # 1cg5A.127.128 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 127 :QELALSAAI 1cg5A 129 :LELVAYELS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.44939 Ang L6.O and I10.CG2 Number of specific fragments= 1 total=2167 # 1devC.128.128 read from T0187.t2k.frag # found chain 1devC in template set T0187 128 :ELALSAAIA 1devC 389 :EFAALLAQS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2168 # 1sup.128.131 read from T0187.t2k.frag # found chain 1sup in template set T0187 128 :ELALSAAIA 1sup 132 :SAALKAAVD Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2169 # 1k8kF.128.132 read from T0187.t2k.frag # found chain 1k8kF in template set T0187 128 :ELALSAAIA 1k8kF 133 :DFVIHFMEE Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2170 # 1cg5A.128.129 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 128 :ELALSAAIA 1cg5A 130 :ELVAYELSS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48454 Ang L5.O and I9.CD1 Number of specific fragments= 1 total=2171 # 1bebA.128.130 read from T0187.t2k.frag # found chain 1bebA in template set T0187 128 :ELALSAAIA 1bebA 131 :EALEKFDKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2172 # 1b24A.128.132 read from T0187.t2k.frag # found chain 1b24A in template set T0187 128 :ELALSAAIA 1b24A 133 :ALLEIVSRW Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2173 # 1devC.129.129 read from T0187.t2k.frag # found chain 1devC in template set T0187 129 :LALSAAIAL 1devC 390 :FAALLAQSV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2174 # 1sup.129.132 read from T0187.t2k.frag # found chain 1sup in template set T0187 129 :LALSAAIAL 1sup 133 :AALKAAVDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2175 # 1bebA.129.131 read from T0187.t2k.frag # found chain 1bebA in template set T0187 129 :LALSAAIAL 1bebA 132 :ALEKFDKAL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2176 # 1k8kF.129.133 read from T0187.t2k.frag # found chain 1k8kF in template set T0187 129 :LALSAAIAL 1k8kF 134 :FVIHFMEEI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2177 # 1b24A.129.133 read from T0187.t2k.frag # found chain 1b24A in template set T0187 129 :LALSAAIAL 1b24A 134 :LLEIVSRWL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2178 # 1cg5A.129.130 read from T0187.t2k.frag # found chain 1cg5A in template set T0187 129 :LALSAAIAL 1cg5A 131 :LVAYELSSC Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.48454 Ang L4.O and I8.CD1 Number of specific fragments= 1 total=2179 # 1devC.130.130 read from T0187.t2k.frag # found chain 1devC in template set T0187 130 :ALSAAIALE 1devC 391 :AALLAQSVN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2180 # 1sup.130.133 read from T0187.t2k.frag # found chain 1sup in template set T0187 130 :ALSAAIALE 1sup 134 :ALKAAVDKA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2181 # 1bebA.130.132 read from T0187.t2k.frag # found chain 1bebA in template set T0187 130 :ALSAAIALE 1bebA 133 :LEKFDKALK Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22364 Ang I7.CA and E10.CD other bump:3.17018 Ang I7.CA and E10.CG other bump:2.48535 Ang A6.O and E10.CG Number of specific fragments= 1 total=2182 # 1k8kF.130.134 read from T0187.t2k.frag # found chain 1k8kF in template set T0187 130 :ALSAAIALE 1k8kF 135 :VIHFMEEID Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2183 # 1b24A.130.134 read from T0187.t2k.frag # found chain 1b24A in template set T0187 130 :ALSAAIALE 1b24A 135 :LEIVSRWLN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2184 # 1knqA.130.133 read from T0187.t2k.frag # found chain 1knqA in template set T0187 130 :ALSAAIALE 1knqA 134 :LVTQFETLQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2185 # 1devC.131.131 read from T0187.t2k.frag # found chain 1devC in template set T0187 131 :LSAAIALEG 1devC 392 :ALLAQSVNQ Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2186 # 1bebA.131.133 read from T0187.t2k.frag # found chain 1bebA in template set T0187 131 :LSAAIALEG 1bebA 134 :EKFDKALKA Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22364 Ang I6.CA and E9.CD other bump:2.48535 Ang A5.O and E9.CG other bump:3.17017 Ang I6.CA and E9.CG Number of specific fragments= 1 total=2187 # 1sup.131.134 read from T0187.t2k.frag # found chain 1sup in template set T0187 131 :LSAAIALEG 1sup 135 :LKAAVDKAV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2188 # 1colA.131.135 read from T0187.t2k.frag # found chain 1colA in template set T0187 131 :LSAAIALEG 1colA 136 :EVESWVLSG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2189 # 1b24A.131.135 read from T0187.t2k.frag # found chain 1b24A in template set T0187 131 :LSAAIALEG 1b24A 136 :EIVSRWLNN Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2190 # 1k8kF.131.135 read from T0187.t2k.frag # found chain 1k8kF in template set T0187 131 :LSAAIALEG 1k8kF 136 :IHFMEEIDK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2191 # 1bebA.132.134 read from T0187.t2k.frag # found chain 1bebA in template set T0187 132 :SAAIALEGI 1bebA 135 :KFDKALKAL Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22364 Ang I5.CA and E8.CD other bump:2.48535 Ang A4.O and E8.CG other bump:3.17017 Ang I5.CA and E8.CG Number of specific fragments= 1 total=2192 # 1devC.132.132 read from T0187.t2k.frag # found chain 1devC in template set T0187 132 :SAAIALEGI 1devC 393 :LLAQSVNQG Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 1.70641 Ang G9.O and I10.CG2 neighbor-bump: 2.57018 Ang G9.C and I10.CG2 neighbor-bump: 2.0743 Ang G9.O and I10.CB neighbor-bump: 2.57141 Ang G9.C and I10.CB Number of specific fragments= 1 total=2193 # 1sup.132.135 read from T0187.t2k.frag # found chain 1sup in template set T0187 132 :SAAIALEGI 1sup 136 :KAAVDKAVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2194 # 1colA.132.136 read from T0187.t2k.frag # found chain 1colA in template set T0187 132 :SAAIALEGI 1colA 137 :VESWVLSGI Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46882 Ang I5.CG2 and I10.CD1 Number of specific fragments= 1 total=2195 # 1b24A.132.136 read from T0187.t2k.frag # found chain 1b24A in template set T0187 132 :SAAIALEGI 1b24A 137 :IVSRWLNNL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2196 # 1a9nA.132.133 read from T0187.t2k.frag # adding 1a9nA to template set 1a9nA:# found chain 1a9nA in template set T0187 132 :SAAIALEGI 1a9nA 134 :YVIYKVPQV Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22215 Ang I5.C and E8.OE2 other bump:1.07776 Ang I5.O and E8.OE2 other bump:3.05067 Ang I5.C and E8.CD other bump:2.04108 Ang I5.O and E8.CD Number of specific fragments= 1 total=2197 # 1bebA.133.135 read from T0187.t2k.frag # found chain 1bebA in template set T0187 133 :AAIALEGIE 1bebA 136 :FDKALKALP Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22364 Ang I4.CA and E7.CD other bump:2.48535 Ang A3.O and E7.CG other bump:3.17017 Ang I4.CA and E7.CG Number of specific fragments= 1 total=2198 # 1sup.133.136 read from T0187.t2k.frag # found chain 1sup in template set T0187 133 :AAIALEGIE 1sup 137 :AAVDKAVAS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2199 # 1colA.133.137 read from T0187.t2k.frag # found chain 1colA in template set T0187 133 :AAIALEGIE 1colA 138 :ESWVLSGIA Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46882 Ang I4.CG2 and I9.CD1 Number of specific fragments= 1 total=2200 # 1b24A.133.137 read from T0187.t2k.frag # found chain 1b24A in template set T0187 133 :AAIALEGIE 1b24A 138 :VSRWLNNLG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2201 # 1f2eA.133.135 read from T0187.t2k.frag # adding 1f2eA to template set 1f2eA:# found chain 1f2eA in template set T0187 133 :AAIALEGIE 1f2eA 136 :LDKELAGRD Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.9662 Ang L6.CD2 and I9.CG2 other bump:2.52386 Ang A3.O and E7.CG Number of specific fragments= 1 total=2202 # 1a9nA.133.134 read from T0187.t2k.frag # found chain 1a9nA in template set T0187 133 :AAIALEGIE 1a9nA 135 :VIYKVPQVR Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.22215 Ang I4.C and E7.OE2 other bump:1.07776 Ang I4.O and E7.OE2 other bump:3.05067 Ang I4.C and E7.CD other bump:2.04108 Ang I4.O and E7.CD Number of specific fragments= 1 total=2203 # 1bebA.134.136 read from T0187.t2k.frag # found chain 1bebA in template set T0187 134 :AIALEGIEG 1bebA 137 :DKALKALPM Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22364 Ang I3.CA and E6.CD other bump:2.48535 Ang A2.O and E6.CG other bump:3.17017 Ang I3.CA and E6.CG Number of specific fragments= 1 total=2204 # 1sup.134.137 read from T0187.t2k.frag # found chain 1sup in template set T0187 134 :AIALEGIEG 1sup 138 :AVDKAVASG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2205 # 1b24A.134.138 read from T0187.t2k.frag # found chain 1b24A in template set T0187 134 :AIALEGIEG 1b24A 139 :SRWLNNLGV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2206 # 1mtyG.134.135 read from T0187.t2k.frag # adding 1mtyG to template set 1mtyG:# found chain 1mtyG in template set T0187 134 :AIALEGIEG 1mtyG 139 :LMELRNLNY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1478 Ang I8.CG2 and E9.N self-bump: 2.41345 Ang I8.CG2 and I8.C self-bump: 1.32447 Ang I8.CA and I8.CB Number of specific fragments= 1 total=2207 # 1mmoG.134.135 read from T0187.t2k.frag # adding 1mmoG to template set 1mmoG:# found chain 1mmoG in template set T0187 134 :AIALEGIEG 1mmoG 139 :LMELRNLNY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.02904 Ang I8.CG2 and E9.CG neighbor-bump: 2.16351 Ang I8.CG2 and E9.N self-bump: 2.40429 Ang I8.CG2 and I8.C self-bump: 1.33087 Ang I8.CA and I8.CB Number of specific fragments= 1 total=2208 # 1colA.134.138 read from T0187.t2k.frag # found chain 1colA in template set T0187 134 :AIALEGIEG 1colA 139 :SWVLSGIAS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.46882 Ang I3.CG2 and I8.CD1 Number of specific fragments= 1 total=2209 # 1bebA.135.137 read from T0187.t2k.frag # found chain 1bebA in template set T0187 135 :IALEGIEGV 1bebA 138 :KALKALPMH Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:3.22364 Ang I2.CA and E5.CD other bump:3.17017 Ang I2.CA and E5.CG other bump:2.48535 Ang G1.O and E5.CG Number of specific fragments= 1 total=2210 # 1sup.135.138 read from T0187.t2k.frag # found chain 1sup in template set T0187 135 :IALEGIEGV 1sup 139 :VDKAVASGV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53909 Ang E5.OE2 and V10.CG1 other bump:2.88231 Ang E5.CG and V10.CB Number of specific fragments= 1 total=2211 # 1b24A.135.139 read from T0187.t2k.frag # found chain 1b24A in template set T0187 135 :IALEGIEGV 1b24A 140 :RWLNNLGVR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2212 # 1mtyG.135.136 read from T0187.t2k.frag # found chain 1mtyG in template set T0187 135 :IALEGIEGV 1mtyG 140 :MELRNLNYY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1478 Ang I7.CG2 and E8.N self-bump: 2.41345 Ang I7.CG2 and I7.C self-bump: 1.32447 Ang I7.CA and I7.CB Number of specific fragments= 1 total=2213 # 1mmoG.135.136 read from T0187.t2k.frag # found chain 1mmoG in template set T0187 135 :IALEGIEGV 1mmoG 140 :MELRNLNYY Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.02904 Ang I7.CG2 and E8.CG neighbor-bump: 2.16351 Ang I7.CG2 and E8.N self-bump: 2.40429 Ang I7.CG2 and I7.C self-bump: 1.33087 Ang I7.CA and I7.CB Number of specific fragments= 1 total=2214 # 1f2eA.135.137 read from T0187.t2k.frag # found chain 1f2eA in template set T0187 135 :IALEGIEGV 1f2eA 138 :KELAGRDHY Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02387 Ang I7.CD1 and G9.O other bump:2.9662 Ang L4.CD2 and I7.CG2 other bump:2.52386 Ang G1.O and E5.CG Number of specific fragments= 1 total=2215 # 1bebA.136.138 read from T0187.t2k.frag # found chain 1bebA in template set T0187 136 :ALEGIEGVI 1bebA 139 :ALKALPMHI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2216 # 1sup.136.139 read from T0187.t2k.frag # found chain 1sup in template set T0187 136 :ALEGIEGVI 1sup 140 :DKAVASGVV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53909 Ang E4.OE2 and V9.CG1 other bump:2.88231 Ang E4.CG and V9.CB Number of specific fragments= 1 total=2217 # 1b24A.136.140 read from T0187.t2k.frag # found chain 1b24A in template set T0187 136 :ALEGIEGVI 1b24A 141 :WLNNLGVRN Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84954 Ang L3.CD2 and I10.CD1 Number of specific fragments= 1 total=2218 # 1mtyG.136.137 read from T0187.t2k.frag # found chain 1mtyG in template set T0187 136 :ALEGIEGVI 1mtyG 141 :ELRNLNYYD Fragment has 3 clashes (null) has 3 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 2.1478 Ang I6.CG2 and E7.N self-bump: 2.41345 Ang I6.CG2 and I6.C self-bump: 1.32447 Ang I6.CA and I6.CB Number of specific fragments= 1 total=2219 # 1mmoG.136.137 read from T0187.t2k.frag # found chain 1mmoG in template set T0187 136 :ALEGIEGVI 1mmoG 141 :ELRNLNYYD Fragment has 4 clashes (null) has 4 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues neighbor-bump: 3.02904 Ang I6.CG2 and E7.CG neighbor-bump: 2.16351 Ang I6.CG2 and E7.N self-bump: 2.40429 Ang I6.CG2 and I6.C self-bump: 1.33087 Ang I6.CA and I6.CB Number of specific fragments= 1 total=2220 # 1f2eA.136.138 read from T0187.t2k.frag # found chain 1f2eA in template set T0187 136 :ALEGIEGVI 1f2eA 139 :ELAGRDHYA Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.02387 Ang I6.CD1 and G8.O other bump:2.9662 Ang L3.CD2 and I6.CG2 Number of specific fragments= 1 total=2221 # 1sup.137.140 read from T0187.t2k.frag # found chain 1sup in template set T0187 137 :LEGIEGVIL 1sup 141 :KAVASGVVV Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.53909 Ang E3.OE2 and V8.CG1 other bump:2.88231 Ang E3.CG and V8.CB Number of specific fragments= 1 total=2222 # 1bebA.137.139 read from T0187.t2k.frag # found chain 1bebA in template set T0187 137 :LEGIEGVIL 1bebA 140 :LKALPMHIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2223 # 1poiB.137.138 read from T0187.t2k.frag # adding 1poiB to template set 1poiB:# found chain 1poiB in template set T0187 137 :LEGIEGVIL 1poiB 141 :IATYSNTII Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.45596 Ang V8.CG1 and L10.CD2 other bump:2.38781 Ang L2.CD2 and E6.OE2 Number of specific fragments= 1 total=2224 # 1b24A.137.141 read from T0187.t2k.frag # found chain 1b24A in template set T0187 137 :LEGIEGVIL 1b24A 142 :LNNLGVRNT Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84953 Ang L2.CD2 and I9.CD1 Number of specific fragments= 1 total=2225 # 1mtyG.137.138 read from T0187.t2k.frag # found chain 1mtyG in template set T0187 137 :LEGIEGVIL 1mtyG 142 :LRNLNYYDT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.93893 Ang E6.CD and I9.CD1 other bump:2.91071 Ang E6.CA and I9.CD1 other bump:1.98906 Ang E6.CB and I9.CD1 other bump:2.42137 Ang E6.CG and I9.CD1 neighbor-bump: 2.1478 Ang I5.CG2 and E6.N self-bump: 2.41345 Ang I5.CG2 and I5.C self-bump: 1.32447 Ang I5.CA and I5.CB Number of specific fragments= 1 total=2226 # 1mmoG.137.138 read from T0187.t2k.frag # found chain 1mmoG in template set T0187 137 :LEGIEGVIL 1mmoG 142 :LRNLNYYDT Fragment has 7 clashes (null) has 7 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.914 Ang E6.CA and I9.CD1 other bump:2.22413 Ang E6.CB and I9.CD1 other bump:2.66787 Ang E6.CG and I9.CD1 neighbor-bump: 3.02904 Ang I5.CG2 and E6.CG neighbor-bump: 2.16351 Ang I5.CG2 and E6.N self-bump: 2.40429 Ang I5.CG2 and I5.C self-bump: 1.33087 Ang I5.CA and I5.CB Number of specific fragments= 1 total=2227 # 1sup.138.141 read from T0187.t2k.frag # found chain 1sup in template set T0187 138 :EGIEGVILC 1sup 142 :AVASGVVVV Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2228 # 1poiB.138.139 read from T0187.t2k.frag # found chain 1poiB in template set T0187 138 :EGIEGVILC 1poiB 142 :ATYSNTIIM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84716 Ang V7.CG1 and L9.CD2 Number of specific fragments= 1 total=2229 # 1bebA.138.140 read from T0187.t2k.frag # found chain 1bebA in template set T0187 138 :EGIEGVILC 1bebA 141 :KALPMHIRL Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2230 # 2trcP.138.146 read from T0187.t2k.frag # found chain 2trcP in template set T0187 138 :EGI 2trcP 160 :AEY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues T0187 144 :ILC 2trcP 166 :KFC Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 5 residues Number of specific fragments= 2 total=2232 Number of alignments=297 # 1a79A.138.143 read from T0187.t2k.frag # adding 1a79A to template set 1a79A:# found chain 1a79A in template set T0187 138 :EGIEGVILC 1a79A 152 :HSVRKKLLI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2233 # 1nsj.138.147 read from T0187.t2k.frag # adding 1nsj to template set 1nsj:# found chain 1nsj in template set T0187 138 :EGIEGVILC 1nsj 148 :RDRFRYLVL Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94018 Ang E5.CB and I8.CD1 Number of specific fragments= 1 total=2234 # 1sup.139.142 read from T0187.t2k.frag # found chain 1sup in template set T0187 139 :GIEGVILCS 1sup 143 :VASGVVVVA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2235 # 1poiB.139.140 read from T0187.t2k.frag # found chain 1poiB in template set T0187 139 :GIEGVILCS 1poiB 143 :TYSNTIIMM Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84716 Ang V6.CG1 and L8.CD2 Number of specific fragments= 1 total=2236 # 2trcP.139.147 read from T0187.t2k.frag # found chain 2trcP in template set T0187 139 :GI 2trcP 161 :EY Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 4 residues T0187 144 :ILCS 2trcP 166 :KFCK Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 6 residues Number of specific fragments= 2 total=2238 Number of alignments=298 # 1nsj.139.148 read from T0187.t2k.frag # found chain 1nsj in template set T0187 139 :GIEGVILCS 1nsj 149 :DRFRYLVLS Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.94018 Ang E4.CB and I7.CD1 Number of specific fragments= 1 total=2239 # 1cseE.139.142 read from T0187.t2k.frag # adding 1cseE to template set 1cseE:# found chain 1cseE in template set T0187 139 :GIEGVILCS 1cseE 144 :ARGVVVVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2240 # 1bebA.139.141 read from T0187.t2k.frag # found chain 1bebA in template set T0187 139 :GIEGVILCS 1bebA 142 :ALPMHIRLS Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2241 # 1sup.140.143 read from T0187.t2k.frag # found chain 1sup in template set T0187 140 :IEGVILCSA 1sup 144 :ASGVVVVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2242 # 1poiB.140.141 read from T0187.t2k.frag # found chain 1poiB in template set T0187 140 :IEGVILCSA 1poiB 144 :YSNTIIMMQ Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84716 Ang V5.CG1 and L7.CD2 Number of specific fragments= 1 total=2243 # 1nsj.140.149 read from T0187.t2k.frag # found chain 1nsj in template set T0187 140 :IEGVILCSA 1nsj 150 :RFRYLVLSG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.3335 Ang A10.CA and A10.CB other bump:2.94018 Ang E3.CB and I6.CD1 Number of specific fragments= 1 total=2244 # 1cseE.140.143 read from T0187.t2k.frag # found chain 1cseE in template set T0187 140 :IEGVILCSA 1cseE 145 :RGVVVVAAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2245 # 2trcP.140.148 read from T0187.t2k.frag # found chain 2trcP in template set T0187 140 :I 2trcP 162 :Y Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 3 residues T0187 144 :ILCSA 2trcP 166 :KFCKI Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 7 residues Number of specific fragments= 2 total=2247 Number of alignments=299 # 1cseE.140.142 read from T0187.t2k.frag # found chain 1cseE in template set T0187 140 :IEGVILCSA 1cseE 144 :ARGVVVVAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2248 # 1sup.141.144 read from T0187.t2k.frag # found chain 1sup in template set T0187 141 :EGVILCSAG 1sup 145 :SGVVVVAAA Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2249 # 1poiB.141.142 read from T0187.t2k.frag # found chain 1poiB in template set T0187 141 :EGVILCSAG 1poiB 145 :SNTIIMMQH Fragment has 1 clashes (null) has 1 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues other bump:2.84716 Ang V4.CG1 and L6.CD2 Number of specific fragments= 1 total=2250 # 1cseE.141.144 read from T0187.t2k.frag # found chain 1cseE in template set T0187 141 :EGVILCSAG 1cseE 146 :GVVVVAAAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2251 # 1nsj.141.150 read from T0187.t2k.frag # found chain 1nsj in template set T0187 141 :EGVILCSAG 1nsj 151 :FRYLVLSGG Fragment has 2 clashes (null) has 2 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues self-bump: 1.33349 Ang A9.CA and A9.CB other bump:2.94018 Ang E2.CB and I5.CD1 Number of specific fragments= 1 total=2252 # 2trcP.141.149 read from T0187.t2k.frag # found chain 2trcP in template set T0187 144 :ILCSAG 2trcP 166 :KFCKIR Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 8 residues Number of specific fragments= 1 total=2253 # 1sup.141.145 read from T0187.t2k.frag # found chain 1sup in template set T0187 141 :EGVILCSAG 1sup 146 :GVVVVAAAG Fragment has 0 clashes (null) has 0 clashes, 0 disulphide bonds, and 0 hydrogen bonds in 11 residues Number of specific fragments= 1 total=2254 # command:# Prefix for output files set to # command:# Printing 132 template chains to Template.atoms # Printed template library # command:# Prefix for output files set to decoys/ # command:CPU_time= 466190 msec, elapsed time= 583330 msec) # command:# Setting InsertAlignment to 0.3 # Setting ClashingRotamer to 0.5 # Setting InsertFragment to 1 # Setting CrossAndInsert to 1 # Setting TwoFragment to 1 # Setting InsertSpecificFragment to 1.5 # Setting ReduceBreak to 5 # Setting CloseGap to 0.1 # Setting ReduceClash to 1 # Setting JiggleSubtree to 0.03 # Setting OptSubtree to 0.03 # Setting InsertSSBond to 0 # Setting ImproveSSBond to 0 # Initial Method pseudocounts set to # InsertAlignment 0.3 # InsertSpecificFragment 1.5 # InsertFragment 1 # TwoFragment 1 # CrossOver 0.05 # CrossAndInsert 1 # ReduceClash 1 # OneRotamer 0 # ClashingRotamer 0.5 # ReduceBreak 5 # CloseGap 0.1 # JiggleSubtree 0.03 # OptSubtree 0.03 # ReduceConstraint 0.2 # InsertSSBond 0 # ImproveSSBond 0 # command:# naming current conformation T0187.try1 # command:# OptConform to optimize cost = # ( 0.2 * gen6.5(6.5) + 1 * wet6.5(6.5, /log(length)) + 3 * dry5(5) + 11 * dry6.5(6.5) + 4 * dry8(8) + 1 * dry12(12) + 0.5 * phobic_fit + 0.2 * sidechain + 1 * clashes + -0.2 * sidechain_clashes + 0.5 * backbone_clashes + 15 * break + 1 * pred_alpha2 + 0.05 * constraints + 1 * contact_order ) # Will do 2 iterations of optimization # iteration 0 # filling pool to have 40 conformations # best score in initial pool out of 40: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA at pool[9] 83.3594 cost/residue, 373 clashes # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA 83.3594 cost/residue, 373 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 6 ## InsertFragment 8 ## TwoFragment 3 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 6 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al10 82.7519 cost/residue, 338 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 13 ## TwoFragment 4 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 9 ## OneRotamer 0 ## ClashingRotamer 11 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 1 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1 82.2504 cost/residue, 280 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 14 ## InsertFragment 22 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 9 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 13 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 2 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0187.try1 82.2504 cost/residue, 280 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 19 ## InsertFragment 24 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 12 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 19 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 4 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.297871 -0.0473509 -0.789849 0.534013 -44.4313 33.3745 40.3682 # generation 5: best score out of 40: T0187.try1-al10 81.1893 cost/residue, 344 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 22 ## InsertFragment 32 ## TwoFragment 4 ## CrossOver 2 ## CrossAndInsert 14 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 25 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 6 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 19 # generation 6: best score out of 40: T0187.try1-al10 80.8917 cost/residue, 398 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 41 ## TwoFragment 4 ## CrossOver 4 ## CrossAndInsert 17 ## ReduceClash 17 ## OneRotamer 0 ## ClashingRotamer 26 ## ReduceBreak 1 ## CloseGap 1 ## JiggleSubtree 11 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 141 # generation 7: best score out of 40: T0187.try1-al10 80.2322 cost/residue, 343 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 26 ## InsertFragment 53 ## TwoFragment 4 ## CrossOver 5 ## CrossAndInsert 19 ## ReduceClash 19 ## OneRotamer 0 ## ClashingRotamer 26 ## ReduceBreak 1 ## CloseGap 2 ## JiggleSubtree 14 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 8: best score out of 40: T0187.try1-al10 80.2322 cost/residue, 343 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 57 ## TwoFragment 7 ## CrossOver 5 ## CrossAndInsert 20 ## ReduceClash 20 ## OneRotamer 0 ## ClashingRotamer 27 ## ReduceBreak 1 ## CloseGap 2 ## JiggleSubtree 24 ## OptSubtree 9 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 116 # Removing break before 116 # generation 9: best score out of 40: T0187.try1-al10 79.8521 cost/residue, 305 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 33 ## InsertFragment 63 ## TwoFragment 8 ## CrossOver 8 ## CrossAndInsert 22 ## ReduceClash 21 ## OneRotamer 0 ## ClashingRotamer 27 ## ReduceBreak 1 ## CloseGap 2 ## JiggleSubtree 32 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # jumping subtree containing (T0187)G319 jump= 0.657125 0.0847664 -0.72453 0.189887 -34.2633 5.53298 -36.6159 # Removing break before 138 # generation 10: best score out of 40: T0187.try1-al10 79.8521 cost/residue, 305 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 34 ## InsertFragment 68 ## TwoFragment 9 ## CrossOver 10 ## CrossAndInsert 23 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 27 ## ReduceBreak 1 ## CloseGap 3 ## JiggleSubtree 42 ## OptSubtree 15 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 93 # jumping subtree containing (T0187)G201 jump= -0.373755 0.346516 -0.445721 0.735912 13.0999 41.0447 -15.533 # generation 11: best score out of 40: T0187.try1-al10 79.1781 cost/residue, 258 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 70 ## TwoFragment 9 ## CrossOver 10 ## CrossAndInsert 23 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 27 ## ReduceBreak 1 ## CloseGap 4 ## JiggleSubtree 57 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 12: best score out of 40: T0187.try1-al10 79.0388 cost/residue, 306 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 37 ## InsertFragment 71 ## TwoFragment 10 ## CrossOver 12 ## CrossAndInsert 25 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 27 ## ReduceBreak 1 ## CloseGap 4 ## JiggleSubtree 70 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A231 jump= 0.833573 0.00335494 -0.265818 -0.484238 -20.3254 1.81782 -25.4046 # Removing break before 30 # jumping subtree containing (T0187)S260 jump= -0.637956 -0.324401 0.668172 0.203281 4.94399 13.3776 6.9172 # Removing break before 6 # generation 13: best score out of 40: T0187.try1-al10 77.9307 cost/residue, 283 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 41 ## InsertFragment 74 ## TwoFragment 10 ## CrossOver 15 ## CrossAndInsert 26 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 27 ## ReduceBreak 1 ## CloseGap 6 ## JiggleSubtree 83 ## OptSubtree 25 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S207 jump= -0.227138 0.0391801 0.880642 0.413937 -31.9873 -6.39765 -18.1039 # generation 14: best score out of 40: T0187.try1-al10 77.9307 cost/residue, 283 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 42 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 16 ## CrossAndInsert 29 ## ReduceClash 26 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 6 ## JiggleSubtree 102 ## OptSubtree 28 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 105 # jumping subtree containing (T0187)S207 jump= -0.837926 0.380452 0.291701 0.260856 -21.5882 0.258549 -17.5451 # generation 15: best score out of 40: T0187.try1-al10 77.9307 cost/residue, 283 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 42 ## InsertFragment 81 ## TwoFragment 10 ## CrossOver 16 ## CrossAndInsert 29 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 7 ## JiggleSubtree 113 ## OptSubtree 33 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= 0.824902 -0.122928 0.507577 0.216315 19.7689 -22.429 4.49254 # Removing break before 99 # Removing break before 117 # generation 16: best score out of 40: T0187.try1-al10 77.9307 cost/residue, 283 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 42 ## InsertFragment 82 ## TwoFragment 10 ## CrossOver 16 ## CrossAndInsert 30 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 133 ## OptSubtree 39 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A334 jump= 0.999953 -0.00209574 -0.00483822 0.00815742 10.46 7.90518 -10.8837 # Removing break before 58 # jumping subtree containing (T0187)T236 jump= -0.324611 -0.759918 0.443889 -0.346575 -33.3263 -2.18311 24.2328 # Removing break before 61 # jumping subtree containing (T0187)K215 jump= -0.342747 0.736653 0.406878 -0.417512 -4.14987 -20.9936 -27.1628 # generation 17: best score out of 40: T0187.try1-al10 77.9239 cost/residue, 283 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 42 ## InsertFragment 82 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 31 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 9 ## JiggleSubtree 150 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 107 # generation 18: best score out of 40: T0187.try1-al10 77.869 cost/residue, 292 clashes 0.00577549 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 83 ## TwoFragment 10 ## CrossOver 20 ## CrossAndInsert 31 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 10 ## JiggleSubtree 166 ## OptSubtree 50 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 107 # Removing break before 99 # Removing break before 133 # Removing break before 99 # Removing break before 107 # Removing break before 99 # generation 19: best score out of 40: T0187.try1-al10 77.5727 cost/residue, 271 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 84 ## TwoFragment 10 ## CrossOver 21 ## CrossAndInsert 32 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 11 ## JiggleSubtree 186 ## OptSubtree 57 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H246 jump= 0.138043 -0.183759 0.616215 0.753297 -24.9045 -8.46173 -19.9883 # Removing break before 58 # Removing break before 119 # Removing break before 58 # generation 20: best score out of 40: T0187.try1-al10 77.5727 cost/residue, 271 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 84 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 32 ## ReduceClash 29 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 12 ## JiggleSubtree 207 ## OptSubtree 64 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 41 # jumping subtree containing (T0187)K259 jump= 0.274496 -0.175996 -0.849032 0.41572 2.44228 21.5044 54.2613 # jumping subtree containing (T0187)K259 jump= 0.191861 -0.593899 0.642546 0.444531 9.9348 9.92243 5.77891 # Removing break before 58 # Removing break before 58 # generation 21: best score out of 40: T0187.try1-al10 77.5727 cost/residue, 271 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 85 ## TwoFragment 10 ## CrossOver 23 ## CrossAndInsert 33 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 14 ## JiggleSubtree 225 ## OptSubtree 71 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 103 # Removing break before 51 # jumping subtree containing (T0187)G201 jump= -0.782188 -0.521747 0.212669 0.265959 -14.9854 -2.77288 -3.676 # jumping subtree containing (T0187)G201 jump= -0.999969 -0.00165863 0.00735783 -0.00203867 -1.54601 -25.7773 -5.66362 # jumping subtree containing (T0187)A288 jump= 0.0583004 0.942034 -0.176507 0.279319 7.1571 -0.510505 -2.05059 # Removing break before 103 # Removing break before 103 # jumping subtree containing (T0187)G201 jump= -0.965622 0.0743246 0.189432 -0.161758 -14.2449 17.1615 29.1407 # generation 22: best score out of 40: T0187.try1-al10 77.5727 cost/residue, 271 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 85 ## TwoFragment 10 ## CrossOver 24 ## CrossAndInsert 33 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 16 ## JiggleSubtree 238 ## OptSubtree 79 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 103 # Removing break before 67 # Removing break before 41 # generation 23: best score out of 40: T0187.try1-al10 77.5582 cost/residue, 262 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 86 ## TwoFragment 10 ## CrossOver 26 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 18 ## JiggleSubtree 253 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 103 # Removing break before 67 # Removing break before 41 # jumping subtree containing (T0187)G201 jump= 0.616524 -0.644623 -0.174609 0.416978 21.3092 -4.56248 4.1055 # generation 24: best score out of 40: T0187.try1-al10 77.556 cost/residue, 284 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 87 ## TwoFragment 10 ## CrossOver 27 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 19 ## JiggleSubtree 271 ## OptSubtree 91 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 103 # jumping subtree containing (T0187)G201 jump= 0.782922 -0.185268 -0.0461432 0.592097 9.99972 -0.604041 -13.7529 # Removing break before 125 # jumping subtree containing (T0187)G321 jump= 0.980355 -0.0312777 -0.0931106 -0.171045 -16.059 21.4542 -7.44365 # Removing break before 71 # Removing break before 71 # generation 25: best score out of 40: T0187.try1-al10 77.5559 cost/residue, 284 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 87 ## TwoFragment 10 ## CrossOver 30 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 20 ## JiggleSubtree 291 ## OptSubtree 97 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 125 # Removing break before 67 # Removing break before 72 # jumping subtree containing (T0187)I245 jump= 0.676432 0.727724 -0.101285 -0.0509839 10.822 26.5403 -14.6183 # Removing break before 54 # Removing break before 44 # jumping subtree containing (T0187)I335 jump= 0.932108 0.0521928 -0.357087 0.0306663 -17.4034 -17.129 14.6162 # jumping subtree containing (T0187)N268 jump= -0.845674 -0.251894 0.455928 0.11625 -4.04785 -29.2314 -26.3603 # generation 26: best score out of 40: T0187.try1-al10 77.5257 cost/residue, 275 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 87 ## TwoFragment 10 ## CrossOver 32 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 22 ## JiggleSubtree 308 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 100 # Removing break before 133 # jumping subtree containing (T0187)D256 jump= 0.992187 -0.0952687 0.0340636 -0.0730001 -0.20214 -13.4433 10.2571 # Removing break before 21 # Removing break before 34 # generation 27: best score out of 40: T0187.try1-al10 77.3062 cost/residue, 285 clashes 0.00557073 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 89 ## TwoFragment 10 ## CrossOver 35 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 327 ## OptSubtree 110 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.631862 -0.366658 -0.66042 0.173662 -23.1066 -21.9672 -55.1129 # Removing break before 67 # Removing break before 102 # generation 28: best score out of 40: T0187.try1-al10 77.2811 cost/residue, 285 clashes 0.00523074 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 91 ## TwoFragment 10 ## CrossOver 39 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 342 ## OptSubtree 118 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.909857 0.255782 0.323078 0.0485336 -5.71934 19.1025 35.9808 # Removing break before 57 # Removing break before 57 # jumping subtree containing (T0187)A334 jump= -0.0546485 0.0445578 0.020739 0.997295 -29.0802 116.787 -23.4479 # Removing break before 110 # generation 29: best score out of 40: T0187.try1-al10 77.2783 cost/residue, 284 clashes 0.00523074 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 92 ## TwoFragment 10 ## CrossOver 41 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 358 ## OptSubtree 128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A334 jump= 0.800837 0.3825 0.219062 -0.40542 -58.1557 -21.9149 -32.3702 # Removing break before 58 # Removing break before 58 # Removing break before 58 # Removing break before 57 # jumping subtree containing (T0187)G201 jump= 0.726466 -0.246303 0.576129 0.282236 77.0509 66.3929 -34.155 # Removing break before 58 # Removing break before 58 # generation 30: best score out of 40: T0187.try1-al10 77.237 cost/residue, 302 clashes 0.0127644 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 93 ## TwoFragment 10 ## CrossOver 43 ## CrossAndInsert 34 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 381 ## OptSubtree 135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.530865 -0.489872 -0.279355 0.632589 -103.148 77.0636 -45.1271 # Removing break before 58 # Removing break before 58 # generation 31: best score out of 40: T0187.try1-al10 77.0499 cost/residue, 302 clashes 0.00523077 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 93 ## TwoFragment 10 ## CrossOver 44 ## CrossAndInsert 36 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 402 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 36 # jumping subtree containing (T0187)G201 jump= -0.734406 -0.303654 -0.595162 -0.119266 -10.64 19.1382 -78.3249 # Removing break before 36 # Removing break before 58 # Removing break before 36 # Removing break before 36 # Removing break before 36 # generation 32: best score out of 40: T0187.try1-al10 77.0499 cost/residue, 302 clashes 0.00523077 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 45 ## CrossAndInsert 36 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 423 ## OptSubtree 152 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= 0.87374 0.37525 -0.186655 -0.246833 14.2094 -5.5266 -15.46 # jumping subtree containing (T0187)N268 jump= -0.056176 -0.358001 -0.925763 -0.1079 -97.7578 66.3746 -40.2622 # Removing break before 58 # generation 33: best score out of 40: T0187.try1-al10 77.0187 cost/residue, 297 clashes 0.00523075 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 46 ## CrossAndInsert 37 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 441 ## OptSubtree 166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A333 jump= 0.986051 -0.0823041 -0.143511 0.018291 -25.0797 6.50752 8.19497 # Removing break before 58 # Removing break before 58 # Removing break before 58 # generation 34: best score out of 40: T0187.try1-al10 77.0187 cost/residue, 297 clashes 0.00523072 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 48 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 467 ## OptSubtree 172 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F296 jump= 0.221017 0.504341 -0.322148 0.770073 -49.6587 82.617 40.8136 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= 0.441956 0.4221 0.587178 0.530781 50.6367 79.2342 -141.664 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.0703577 -0.094578 0.709057 0.695229 -65.8638 71.2049 -54.1872 # Removing break before 58 # generation 35: best score out of 40: T0187.try1-al10 77.0151 cost/residue, 297 clashes 0.00523075 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 51 ## CrossAndInsert 38 ## ReduceClash 30 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 489 ## OptSubtree 180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)F296 jump= 0.999568 -0.0195446 0.0067652 -0.0208807 -2.58967 -10.6055 11.8782 # Removing break before 58 # generation 36: best score out of 40: T0187.try1-al10 76.9302 cost/residue, 291 clashes 0.00523074 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 52 ## CrossAndInsert 38 ## ReduceClash 31 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 508 ## OptSubtree 192 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Y220 jump= -0.634481 -0.266423 -0.455283 0.564951 -68.4174 -36.9974 -66.6509 # jumping subtree containing (T0187)A306 jump= -0.741381 0.143359 -0.63274 -0.171589 29.3509 24.9537 -101.901 # Removing break before 58 # jumping subtree containing (T0187)A306 jump= -0.977066 0.0548008 -0.184355 0.09139 15.6466 22.8115 -21.7628 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)F296 jump= -0.922324 0.0497599 0.0476734 0.380223 -25.5752 -22.1891 16.4898 # Removing break before 58 # jumping subtree containing (T0187)L276 jump= -0.129033 -0.314227 0.922907 0.181256 -48.7799 0.292933 -97.6802 # Removing break before 58 # generation 37: best score out of 40: T0187.try1-al10 76.9301 cost/residue, 291 clashes 0.00523075 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 52 ## CrossAndInsert 38 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 526 ## OptSubtree 205 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= 0.911755 -0.343413 -0.19129 0.119072 4.04667 67.908 58.3031 # jumping subtree containing (T0187)F296 jump= -0.399411 -0.574776 -0.66566 -0.258842 33.6543 26.231 -106.399 # jumping subtree containing (T0187)Q327 jump= 0.993865 -0.0604767 -0.0065183 0.0923686 -13.7225 24.1767 3.26502 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= 0.989521 -0.0387126 -0.135747 -0.0303797 -4.64359 -10.0648 -15.2136 # jumping subtree containing (T0187)N268 jump= -0.934103 0.143644 0.0725803 -0.318668 -39.8757 63.0328 20.2132 # jumping subtree containing (T0187)L329 jump= 0.0075374 -0.00988326 -0.975629 0.219074 -77.2566 -31.0688 -59.3514 # generation 38: best score out of 40: T0187.try1-al10 76.9301 cost/residue, 291 clashes 0.00523077 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 56 ## CrossAndInsert 38 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 549 ## OptSubtree 212 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= 0.983521 -0.104276 -0.105653 0.103202 20.8808 14.009 28.8741 # jumping subtree containing (T0187)F296 jump= -0.112558 -0.980925 -0.0130496 0.157946 -33.3326 82.6653 -109.139 # Removing break before 58 # generation 39: best score out of 40: T0187.try1-al10 76.7809 cost/residue, 291 clashes 0.0052308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 94 ## TwoFragment 10 ## CrossOver 60 ## CrossAndInsert 38 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 561 ## OptSubtree 222 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.817973 0.181806 0.541737 -0.0662346 6.62998 -0.372643 -32.5695 # Removing break before 58 # Removing break before 58 # Removing break before 58 # generation 40: best score out of 40: T0187.try1-al10 76.7809 cost/residue, 291 clashes 0.0052308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 95 ## TwoFragment 10 ## CrossOver 61 ## CrossAndInsert 38 ## ReduceClash 33 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 581 ## OptSubtree 228 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F296 jump= -0.805359 -0.221591 -0.510066 -0.20525 -23.2339 26.5319 -86.316 # jumping subtree containing (T0187)G201 jump= 0.755475 -0.534399 -0.356265 -0.129421 -61.6296 60.6567 65.0395 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= -0.606085 0.672695 0.180617 0.384083 -26.1411 60.1877 14.7596 # jumping subtree containing (T0187)N268 jump= 0.714455 -0.103583 -0.691635 0.0215727 -57.7564 36.0157 36.5738 # generation 41: best score out of 40: T0187.try1-al10 76.7793 cost/residue, 292 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 95 ## TwoFragment 10 ## CrossOver 63 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 598 ## OptSubtree 235 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)R325 jump= -0.139722 0.218018 0.650853 -0.713678 -127.204 28.1949 -13.1383 # jumping subtree containing (T0187)F296 jump= 0.869227 0.379299 -0.165184 0.270721 29.7441 30.48 -12.699 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.73983 -0.00686583 -0.0810613 0.667857 -76.313 6.82893 13.4875 # generation 42: best score out of 40: T0187.try1-al10 76.7793 cost/residue, 292 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 95 ## TwoFragment 10 ## CrossOver 64 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 617 ## OptSubtree 242 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= -0.851649 0.271843 0.361271 -0.2651 -44.1067 32.5362 43.8505 # jumping subtree containing (T0187)G201 jump= -0.648661 -0.10358 -0.600096 -0.456503 19.8142 47.16 -84.3175 # jumping subtree containing (T0187)N268 jump= -0.948705 0.247194 -0.193761 -0.0362002 7.78222 47.0295 0.855815 # Removing break before 58 # jumping subtree containing (T0187)I340 jump= -0.588404 0.410631 0.687376 0.112596 -100.521 48.8723 -1.55505 # Removing break before 67 # generation 43: best score out of 40: T0187.try1-al10 76.7766 cost/residue, 293 clashes 0.00523079 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 96 ## TwoFragment 10 ## CrossOver 70 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 634 ## OptSubtree 252 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 67 # jumping subtree containing (T0187)G201 jump= -0.89541 0.214225 0.357736 0.156119 -64.2494 12.5138 63.7178 # jumping subtree containing (T0187)G201 jump= -0.694124 0.0269619 -0.251062 -0.674116 -1.38265 67.2232 -32.4838 # Removing break before 58 # generation 44: best score out of 40: T0187.try1-al10 76.7765 cost/residue, 293 clashes 0.00523081 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 96 ## TwoFragment 10 ## CrossOver 70 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 656 ## OptSubtree 256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)K259 jump= 0.94147 0.15264 0.141002 0.265431 42.7531 51.7132 -30.8191 # Removing break before 58 # Removing break before 58 # generation 45: best score out of 40: T0187.try1-al10 76.775 cost/residue, 294 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 96 ## TwoFragment 10 ## CrossOver 73 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 677 ## OptSubtree 268 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.998398 -0.0335169 0.0163216 0.042569 -2.87564 13.0205 5.67161 # jumping subtree containing (T0187)G201 jump= 0.053086 0.932758 -0.329478 -0.136343 8.36205 31.9529 -102.018 # jumping subtree containing (T0187)N268 jump= -0.96106 -0.00566772 0.267346 -0.0696933 -56.0224 13.6643 11.0804 # jumping subtree containing (T0187)N268 jump= 0.899486 -0.419234 -0.119071 0.031469 -15.7332 91.7533 17.6369 # generation 46: best score out of 40: T0187.try1-al10 76.775 cost/residue, 294 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 96 ## TwoFragment 10 ## CrossOver 74 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 703 ## OptSubtree 277 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= -0.635701 -0.703996 -0.0285902 0.315368 -31.7025 2.7696 -128.605 # Removing break before 67 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= 0.818885 0.228042 -0.469244 0.239237 -1.95374 -1.42016 1.51184 # jumping subtree containing (T0187)I335 jump= -0.777243 0.362931 0.226961 -0.461154 -20.3024 86.0097 26.9298 # generation 47: best score out of 40: T0187.try1-al10 76.753 cost/residue, 292 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 79 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 718 ## OptSubtree 287 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # generation 48: best score out of 40: T0187.try1-al10 76.753 cost/residue, 292 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 84 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 736 ## OptSubtree 292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G349 jump= -0.996326 -0.0156076 -0.0831593 -0.0132597 -11.7291 -6.58161 -15.0323 # jumping subtree containing (T0187)I335 jump= -0.0209714 -0.468119 -0.370431 -0.802001 -58.279 123.301 -39.7292 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= 0.840797 -0.212363 -0.0417221 -0.496207 -30.7976 -16.7201 26.5566 # Removing break before 58 # Removing break before 67 # Removing break before 67 # Removing break before 67 # jumping subtree containing (T0187)I271 jump= 0.697981 0.0814693 0.710878 -0.0289319 -22.9577 -15.2066 -130.755 # Removing break before 58 # Removing break before 58 # generation 49: best score out of 40: T0187.try1-al10 76.7529 cost/residue, 292 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 89 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 753 ## OptSubtree 301 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= -0.335032 -0.375556 0.367411 0.782125 -138.48 8.0954 -97.3344 # jumping subtree containing (T0187)G201 jump= -0.245283 -0.602878 -0.730869 0.205437 -85.4588 53.9643 -137.168 # jumping subtree containing (T0187)I335 jump= 0.76613 -0.515322 0.278173 -0.26478 -0.544759 45.4895 9.26838 # jumping subtree containing (T0187)P304 jump= -0.114038 0.00674305 -0.977848 -0.175393 -114.306 8.58331 -119.466 # Removing break before 58 # generation 50: best score out of 40: T0187.try1-al10 76.7529 cost/residue, 292 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 90 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 764 ## OptSubtree 313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S207 jump= -0.989541 0.0439966 0.0463025 0.129344 -39.718 -14.9048 30.7944 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)N250 jump= -0.998448 -0.0334648 -0.044188 -0.00541012 -10.1767 -9.7605 4.10639 # generation 51: best score out of 40: T0187.try1-al10 76.7528 cost/residue, 292 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 91 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 776 ## OptSubtree 326 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.938491 -0.188409 -0.285075 -0.0496855 2.60078 -4.63231 -45.385 # Removing break before 67 # jumping subtree containing (T0187)T274 jump= 0.749134 0.164698 0.601153 0.224249 44.156 8.30897 -117.034 # Removing break before 58 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= 1 0.000135727 0.000292204 -0.000272714 -16.652 5.63158 -3.072 # generation 52: best score out of 40: T0187.try1-al10 76.7528 cost/residue, 292 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 96 ## CrossAndInsert 38 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 782 ## OptSubtree 339 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= -0.602692 -0.00844191 -0.1455 -0.784552 -11.0081 86.3535 -19.011 # jumping subtree containing (T0187)K259 jump= -0.848332 0.496133 -0.166487 0.0804109 9.60335 102.958 18.8468 # jumping subtree containing (T0187)N326 jump= -0.998883 -0.0416439 -0.021595 -0.00562016 13.1574 11.2969 5.35523 # generation 53: best score out of 40: T0187.try1-al10 76.7061 cost/residue, 292 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 100 ## CrossAndInsert 39 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 786 ## OptSubtree 354 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T274 jump= 0.730847 -0.192251 0.198423 -0.624124 -88.3325 5.93866 19.9709 # jumping subtree containing (T0187)I271 jump= 0.777802 0.0620519 0.498922 0.377162 52.6211 54.0444 -95.5505 # jumping subtree containing (T0187)V317 jump= -0.999927 -0.00514387 0.0108784 -0.000647751 -22.486 -11.8683 -15.3179 # jumping subtree containing (T0187)T274 jump= 0.739444 0.0194262 0.268568 0.617022 49.7098 166.644 -58.0727 # jumping subtree containing (T0187)K302 jump= -0.216006 0.962762 -0.12644 0.102198 47.0642 132.581 -67.1957 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= 0.808767 -0.421933 -0.105278 0.39596 15.8322 86.8698 34.3988 # jumping subtree containing (T0187)E244 jump= 0.930755 -0.180437 0.313034 0.0561065 42.3781 47.8615 -47.7074 # jumping subtree containing (T0187)I335 jump= 0.635625 -0.754442 0.157455 -0.0447784 49.1792 136.519 -27.4019 # Removing break before 58 # generation 54: best score out of 40: T0187.try1-al10 76.7061 cost/residue, 292 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 106 ## CrossAndInsert 39 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 796 ## OptSubtree 368 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T274 jump= -0.78142 -0.199361 0.583958 -0.0928991 -28.2449 -13.3476 44.1822 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.492315 -0.371792 0.652361 -0.440253 -4.83238 -13.1581 -21.0052 # Removing break before 67 # generation 55: best score out of 40: T0187.try1-al10 76.706 cost/residue, 292 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 106 ## CrossAndInsert 39 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 818 ## OptSubtree 377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # jumping subtree containing (T0187)V317 jump= 0.308324 -0.388359 -0.806635 -0.321641 -117.117 64.412 -48.2563 # jumping subtree containing (T0187)S332 jump= 0.55711 -0.0967635 0.815028 -0.12647 12.3348 -14.3996 -88.4917 # Removing break before 67 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)V317 jump= -0.121972 -0.558195 0.736237 0.362624 -23.0074 13.6612 -96.3183 # Removing break before 58 # generation 56: best score out of 40: T0187.try1-al10 76.706 cost/residue, 292 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 109 ## CrossAndInsert 39 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 825 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= -0.0842901 0.839828 -0.0874391 -0.529092 -74.0936 161.372 -133.629 # jumping subtree containing (T0187)V317 jump= 0.084857 -0.111795 -0.983424 -0.114794 -137.365 15.9436 -57.1559 # jumping subtree containing (T0187)K259 jump= -0.903082 -0.00680613 -0.200275 -0.37985 68.1451 48.3185 -48.6899 # jumping subtree containing (T0187)N268 jump= 0.998784 -0.0269885 -0.00705873 0.0406522 -6.82454 14.8436 -24.2296 # jumping subtree containing (T0187)I335 jump= 0.461138 0.425528 0.778427 0.0181416 -100.148 27.7404 -156.372 # jumping subtree containing (T0187)G349 jump= -0.61779 0.168908 -0.721155 -0.264087 3.67233 44.4344 -120.093 # jumping subtree containing (T0187)I335 jump= 0.983544 0.0455833 0.100368 -0.143144 -29.8657 -20.2871 5.34339 # jumping subtree containing (T0187)G201 jump= 0.00647538 -0.714438 -0.0138791 0.699531 -108.796 104.875 -110.249 # generation 57: best score out of 40: T0187.try1-al10 76.7059 cost/residue, 292 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 112 ## CrossAndInsert 39 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 827 ## OptSubtree 410 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= 0.292985 0.790924 -0.283987 0.456016 53.9926 38.8594 -35.5663 # generation 58: best score out of 40: T0187.try1-al10 76.6209 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 113 ## CrossAndInsert 40 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 832 ## OptSubtree 427 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.299656 -0.361202 0.0893448 -0.878497 -73.4521 119.325 51.7889 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= 0.812516 -0.00808062 -0.565354 -0.141871 -98.6624 -1.62769 -46.3349 # jumping subtree containing (T0187)S227 jump= 0.99479 -0.0964628 0.00418541 0.0327297 17.4422 -9.16422 19.2396 # jumping subtree containing (T0187)I335 jump= 0.266816 0.31545 -0.78506 0.4615 23.4789 2.72937 20.8541 # generation 59: best score out of 40: T0187.try1-al10 76.6209 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 116 ## CrossAndInsert 40 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 854 ## OptSubtree 435 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L233 jump= 0.556149 -0.375663 -0.695821 0.255749 -140.365 104.128 74.6555 # jumping subtree containing (T0187)K259 jump= 0.709375 0.270856 0.153071 -0.632451 -132.961 37.8572 -44.6701 # jumping subtree containing (T0187)E244 jump= 0.978607 0.0695037 -0.102742 0.164141 35.7044 22.4466 -19.7576 # jumping subtree containing (T0187)R325 jump= 0.93914 -0.200016 0.143309 -0.239732 -13.0436 41.9784 29.342 # Removing break before 67 # Removing break before 67 # jumping subtree containing (T0187)V317 jump= 0.995734 0.0344265 -0.0146764 0.0843359 12.969 12.965 11.2025 # generation 60: best score out of 40: T0187.try1-al10 76.6205 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 118 ## CrossAndInsert 40 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 870 ## OptSubtree 449 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.373959 0.884169 0.223865 -0.168177 -56.4669 223.192 -7.62116 # jumping subtree containing (T0187)G201 jump= 0.511242 0.539779 -0.101618 -0.661017 -159.587 101.431 -139.764 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= 0.300451 -0.814173 0.341272 -0.361088 28.1225 125.485 53.4044 # generation 61: best score out of 40: T0187.try1-al10 76.6202 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 119 ## CrossAndInsert 40 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 886 ## OptSubtree 459 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= 0.969608 -0.102312 0.166556 -0.147143 7.54023 -2.22025 -40.1559 # jumping subtree containing (T0187)V317 jump= 0.695593 -0.479427 0.267166 0.463597 39.2867 191.502 -77.3201 # jumping subtree containing (T0187)G201 jump= -0.264243 0.403414 0.381383 -0.788657 -143.746 209.077 6.02779 # Removing break before 58 # jumping subtree containing (T0187)T274 jump= -0.999907 -0.0100722 0.00820837 -0.00406732 -12.6423 23.2378 2.56104 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= -0.969811 0.0442205 0.170776 -0.168364 15.8957 37.4191 27.4636 # jumping subtree containing (T0187)R325 jump= 0.947375 0.119489 -0.219878 -0.199644 -55.5972 -44.4279 -16.5071 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.658198 0.126328 0.0628883 0.739501 -103.743 101.907 34.2519 # generation 62: best score out of 40: T0187.try1-al10 76.6197 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 121 ## CrossAndInsert 40 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 913 ## OptSubtree 465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)V317 jump= 0.119518 -0.615862 0.633406 0.45302 -50.7458 104.07 -202.792 # jumping subtree containing (T0187)K238 jump= -0.957164 -0.0946308 -0.19461 0.192378 -23.5946 -21.143 -32.4743 # jumping subtree containing (T0187)S241 jump= -0.835556 -0.340522 0.403988 -0.150611 -22.1196 -37.804 -54.431 # generation 63: best score out of 40: T0187.try1-al10 76.6197 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 123 ## CrossAndInsert 40 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 929 ## OptSubtree 474 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)G201 jump= -0.885659 0.450974 0.101024 -0.0449949 -34.8566 91.2723 15.1873 # jumping subtree containing (T0187)K259 jump= 0.707719 -0.570036 -0.0671003 -0.411935 23.3866 116.787 -45.4083 # Removing break before 67 # Removing break before 58 # generation 64: best score out of 40: T0187.try1-al10 76.6197 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 123 ## CrossAndInsert 40 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 934 ## OptSubtree 493 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.584176 0.0779423 0.794604 -0.145832 -221.155 -1.42173 -66.1834 # jumping subtree containing (T0187)I335 jump= 0.989952 -0.0846035 -0.0573395 -0.0977246 -41.4103 31.6133 16.0725 # jumping subtree containing (T0187)G201 jump= 0.588682 0.277995 -0.0655392 -0.756225 -201.631 -9.72387 -88.6545 # jumping subtree containing (T0187)G201 jump= -0.796221 0.183787 0.0991403 0.567826 -75.7954 57.2909 21.573 # generation 65: best score out of 40: T0187.try1-al10 76.6197 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 126 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 939 ## OptSubtree 509 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.999957 0.00303136 -0.00415544 -0.00769736 -23.6921 1.44176 -5.16272 # jumping subtree containing (T0187)I335 jump= 0.984788 0.108844 -0.124468 -0.0534219 -43.3789 -48.7565 -29.9915 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= 0.494908 -0.445309 -0.316194 0.675861 -182.755 145.999 -42.1867 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= 0.995856 -0.0055593 -0.0866178 0.0271581 -52.1507 9.90494 0.699109 # Removing break before 67 # generation 66: best score out of 40: T0187.try1-al10 76.6197 cost/residue, 279 clashes 0.010688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 130 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 942 ## OptSubtree 526 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.684433 -0.641499 0.150486 -0.312063 76.3926 -37.731 -182.871 # generation 67: best score out of 40: T0187.try1-al10 76.6196 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 133 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 945 ## OptSubtree 544 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= 0.565791 0.383976 0.16533 0.710711 86.6215 125.191 -100.718 # jumping subtree containing (T0187)N268 jump= -0.420444 0.374635 0.67793 0.472532 -175.376 200.964 -188.236 # jumping subtree containing (T0187)I340 jump= 0.207683 -0.454727 -0.15764 -0.851611 -6.32132 205.758 -16.0414 # jumping subtree containing (T0187)V317 jump= 0.189995 0.331013 -0.534531 0.754061 -23.1825 -45.1947 -31.7671 # generation 68: best score out of 40: T0187.try1-al10 76.6196 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 135 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 945 ## OptSubtree 566 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= 0.516372 0.0487135 -0.153469 0.841091 -32.1608 70.9058 25.6809 # Removing break before 67 # jumping subtree containing (T0187)I335 jump= 0.850805 0.310558 0.339429 0.253914 104.149 17.7598 -121.894 # jumping subtree containing (T0187)I335 jump= -0.888618 -0.191266 0.191889 -0.370072 -27.9019 -16.2025 -2.21117 # Removing break before 67 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.0361893 0.276065 0.90429 0.323633 -106.827 145.465 -295.222 # Removing break before 58 # generation 69: best score out of 40: T0187.try1-al10 76.6196 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 143 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 948 ## OptSubtree 579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= 0.987105 0.109623 0.0840142 -0.0809173 20.3622 -57.0307 -22.3986 # jumping subtree containing (T0187)K259 jump= -0.528107 0.204354 0.788604 -0.239678 -215.059 37.5573 -91.6403 # jumping subtree containing (T0187)I335 jump= -0.441503 0.619141 -0.62956 -0.159352 76.0131 140.813 -284.59 # jumping subtree containing (T0187)N268 jump= 0.951078 -0.0422942 0.302351 0.0473945 93.8125 14.5865 -35.074 # jumping subtree containing (T0187)G201 jump= 0.162148 0.236255 0.292217 0.912415 -22.683 220.663 -55.2436 # generation 70: best score out of 40: T0187.try1-al10 76.6196 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 146 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 951 ## OptSubtree 597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.995823 0.0274685 -0.0466196 0.0735426 -10.0037 -14.5936 -11.5633 # Removing break before 67 # jumping subtree containing (T0187)I335 jump= -0.386463 0.442236 -0.0520021 -0.807694 -145.332 237.796 -107.218 # Removing break before 67 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= -0.449947 0.75941 -0.0291161 -0.469038 -93.5028 293.34 -162.397 # generation 71: best score out of 40: T0187.try1-al10 76.6196 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 147 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 952 ## OptSubtree 619 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= 0.67953 -0.613014 -0.342709 -0.21214 -144.02 234.951 -50.4908 # jumping subtree containing (T0187)N268 jump= 0.809129 0.280099 -0.458009 0.238921 -85.0673 -80.165 -60.6409 # Removing break before 67 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= 0.917872 -0.2683 -0.246231 0.157785 -92.6712 94.1827 21.8223 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= -0.98788 -0.107443 0.108579 -0.0275471 -16.6068 -7.52855 -9.59585 # generation 72: best score out of 40: T0187.try1-al10 76.6196 cost/residue, 279 clashes 0.0106877 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 154 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 953 ## OptSubtree 635 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= 0.881124 0.460761 -0.0269482 -0.102922 -39.9933 -85.8276 -121.21 # jumping subtree containing (T0187)I335 jump= 0.447459 0.619078 -0.439017 -0.473061 -184.29 14.0543 -258.995 # jumping subtree containing (T0187)N268 jump= -0.969021 -0.185695 -0.162291 -0.0133528 26.9179 -39.9535 -67.8587 # jumping subtree containing (T0187)I335 jump= -0.964676 -0.0334916 -0.216603 0.146155 43.513 -20.1066 -65.5592 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= -0.815511 -0.337477 -0.427168 -0.196416 81.4768 -0.927063 -164.19 # jumping subtree containing (T0187)V243 jump= 0.715883 -0.30333 0.108685 0.619428 17.4434 216.124 -27.2207 # generation 73: best score out of 40: T0187.try1-al10 76.6195 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 158 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 955 ## OptSubtree 653 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)I335 jump= 0.661418 0.702853 -0.193754 -0.176021 -108.515 -122.773 -254.156 # jumping subtree containing (T0187)G310 jump= -0.426581 -0.585407 -0.61876 0.304078 -55.4392 -40.0615 -248.532 # jumping subtree containing (T0187)N268 jump= 0.920692 -0.167906 -0.229219 0.267568 -50.2145 103.631 24.9879 # jumping subtree containing (T0187)R325 jump= -0.99493 0.0357559 -0.0379679 0.0859854 -8.76368 -21.9071 -10.2664 # generation 74: best score out of 40: T0187.try1-al10 76.6195 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 167 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 955 ## OptSubtree 668 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.305896 0.367083 0.849915 0.222086 -205.725 169.251 -240.916 # jumping subtree containing (T0187)K259 jump= -0.184079 0.919851 0.224593 0.263719 -6.18126 256.737 -201.531 # jumping subtree containing (T0187)N268 jump= 0.999212 0.0131979 0.00743209 0.0366952 27.661 -1.49661 9.49449 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= 0.401306 -0.0845046 -0.317536 0.854976 -126.809 76.9088 9.72809 # jumping subtree containing (T0187)K259 jump= -0.552748 0.602933 -0.175117 -0.547975 -75.2739 250.445 -142.976 # jumping subtree containing (T0187)L345 jump= 0.9511 -0.250928 0.0823835 0.160179 29.3718 107.509 -9.68831 # Removing break before 67 # jumping subtree containing (T0187)K259 jump= 0.550685 0.398139 0.718537 0.148107 101.201 11.0621 -312.2 # generation 75: best score out of 40: T0187.try1-al10 76.6195 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 173 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 956 ## OptSubtree 685 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.982961 -0.0487495 -0.17175 0.0437455 39.8638 -27.0846 -46.7018 # jumping subtree containing (T0187)L214 jump= 0.987703 -0.078805 0.0807854 0.108193 34.4459 33.6649 -25.4476 # jumping subtree containing (T0187)G310 jump= -0.339594 0.340526 0.834554 -0.268769 -210.257 37.0292 -178.655 # Removing break before 67 # jumping subtree containing (T0187)G201 jump= 0.985327 0.0388869 -0.159998 -0.0449313 -43.2789 -22.7129 -14.3799 # jumping subtree containing (T0187)N268 jump= 0.201471 0.313609 0.674941 0.6368 -50.4183 227.991 -233.051 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= -0.77931 -0.0114595 0.483057 0.399 -213.167 69.4472 -62.9853 # jumping subtree containing (T0187)I335 jump= 0.99954 -0.0127911 0.0228974 0.0152085 -5.28086 -4.74788 -1.82384 # Removing break before 58 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= 0.299591 -0.169422 0.172443 0.922933 -98.4336 193.91 -60.7842 # jumping subtree containing (T0187)R285 jump= -0.981097 0.000203957 0.186533 -0.0515173 -64.3854 -19.8528 13.5451 # generation 76: best score out of 40: T0187.try1-al10 76.6195 cost/residue, 279 clashes 0.0106879 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 179 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 958 ## OptSubtree 701 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= 0.704883 -0.414352 0.36445 -0.445678 87.337 55.1292 -22.2169 # jumping subtree containing (T0187)I335 jump= -0.685032 0.722258 -0.0887234 -0.0346721 11.5037 217.09 -130.222 # jumping subtree containing (T0187)Q327 jump= 0.727295 0.485158 -0.0608644 -0.481621 -153.935 -87.5699 -119.75 # jumping subtree containing (T0187)N268 jump= 0.280516 -0.359471 0.547964 -0.701304 61.8078 -78.5686 -58.4988 # jumping subtree containing (T0187)N268 jump= 0.764279 -0.549799 -0.335171 0.035476 -124.275 217.076 -65.2837 # jumping subtree containing (T0187)K259 jump= 0.33887 0.121803 0.802092 -0.476424 -107.395 -109.623 -208.469 # jumping subtree containing (T0187)K303 jump= 0.502774 0.30464 -0.00962738 0.8089 74.2538 76.3435 -13.5618 # Removing break before 67 # Removing break before 58 # jumping subtree containing (T0187)V317 jump= 0.0822443 -0.68813 0.660392 -0.289129 73.5347 -16.0223 -256.23 # generation 77: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106876 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 181 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 962 ## OptSubtree 719 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= -0.428134 0.594414 0.580045 0.35626 -101.604 200.463 -178.004 # jumping subtree containing (T0187)V317 jump= 0.564467 -0.354212 0.743712 0.0529417 99.9229 75.4205 -234.741 # jumping subtree containing (T0187)G201 jump= 0.997902 -0.0194373 0.0276073 -0.0552446 -18.5725 -18.6505 -5.62618 # jumping subtree containing (T0187)I335 jump= -0.983748 -0.101269 0.128032 0.0747784 -75.5537 -17.0681 -19.1573 # jumping subtree containing (T0187)Q327 jump= 0.0723374 -0.0477881 0.542493 -0.835575 -56.3857 -107.263 -77.251 # jumping subtree containing (T0187)L345 jump= -0.759832 -0.373555 -0.483346 -0.22246 129.179 -27.1364 -221.606 # Removing break before 67 # jumping subtree containing (T0187)V317 jump= -0.663577 -0.470969 -0.192685 -0.548385 116.66 54.8 -112.487 # jumping subtree containing (T0187)L345 jump= -0.201433 -0.0311482 -0.831405 -0.516934 -18.2343 198.244 -327.111 # generation 78: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106876 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 183 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 964 ## OptSubtree 739 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.997726 -0.013691 0.002351 0.0659482 18.7934 22.7041 14.8209 # Removing break before 67 # jumping subtree containing (T0187)I335 jump= 0.999608 -0.000598507 -0.00945134 0.0263485 -17.4143 -5.36117 14.338 # jumping subtree containing (T0187)L345 jump= 0.798634 -0.0676627 0.240005 -0.547725 -44.208 -46.6485 5.14635 # jumping subtree containing (T0187)I335 jump= -0.605091 -0.479432 -0.0581447 -0.632953 122.22 26.1076 -81.6602 # jumping subtree containing (T0187)I335 jump= -0.9951 0.0266584 0.0320015 -0.0896784 5.80348 10.592 -19.5296 # generation 79: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106876 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 187 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 964 ## OptSubtree 759 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)L240 jump= 0.950629 -0.0422652 0.0541318 0.302633 23.2188 70.3334 -2.92851 # jumping subtree containing (T0187)L345 jump= -0.345487 0.526586 -0.754086 -0.186283 35.1531 76.7081 -283.583 # jumping subtree containing (T0187)I335 jump= 0.939088 0.0946282 -0.128674 -0.304305 -75.9209 -41.8316 -8.09045 # jumping subtree containing (T0187)I335 jump= 0.283028 -0.802923 -0.204535 -0.483089 37.4773 207.353 -131.05 # Removing break before 58 # Removing break before 67 # jumping subtree containing (T0187)L345 jump= 0.936861 0.0643221 -0.0385635 -0.341565 -64.9379 -45.4801 -9.39297 # generation 80: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106878 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 193 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 965 ## OptSubtree 776 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.978754 0.0390343 -0.0311381 0.198867 -18.4636 -18.2208 19.4226 # jumping subtree containing (T0187)G201 jump= -0.826355 0.546199 -0.136923 0.00747327 62.2823 164.473 -75.6363 # Removing break before 67 # jumping subtree containing (T0187)I335 jump= -0.262319 0.89271 0.364128 -0.0408515 -114.342 195.825 -244.592 # jumping subtree containing (T0187)L345 jump= 0.638375 -0.268003 -0.610781 0.384185 -225.085 41.0554 -64.8605 # generation 81: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106878 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 196 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 965 ## OptSubtree 797 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L214 jump= -0.617783 -0.0566338 -0.777467 0.103351 111.968 -39.1816 -270.932 # jumping subtree containing (T0187)K259 jump= -0.831831 0.0838961 -0.414427 -0.359539 109.352 141.226 -119.273 # jumping subtree containing (T0187)I335 jump= -0.557279 -0.293998 -0.767007 0.121268 54.785 -76.4088 -287.959 # jumping subtree containing (T0187)L214 jump= 0.998356 -0.0075352 0.0567822 0.00194295 9.65603 -0.606185 -31.2874 # jumping subtree containing (T0187)Q327 jump= -0.247097 0.962066 0.0874487 -0.0756662 -34.1637 192.112 -305.588 # jumping subtree containing (T0187)K259 jump= 0.749342 -0.0718061 0.42843 -0.499778 58.4721 -67.0247 -60.5439 # jumping subtree containing (T0187)L214 jump= 0.223271 0.525495 0.262128 0.778007 78.8589 168.558 -139.512 # jumping subtree containing (T0187)L345 jump= -0.069968 -0.861109 -0.142412 0.483027 -172.809 84.0166 -339.011 # jumping subtree containing (T0187)N268 jump= -0.0363485 -0.792443 -0.606324 0.0555415 -95.9929 115.85 -339.998 # jumping subtree containing (T0187)V317 jump= -0.889775 -0.203662 -0.1396 -0.383841 88.3435 -6.00329 -16.8734 # generation 82: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106878 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 199 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 965 ## OptSubtree 818 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.637966 -0.152286 0.361713 -0.66255 -43.6137 -14.1068 13.4378 # jumping subtree containing (T0187)F267 jump= 0.999543 -0.0176981 -0.0189654 0.0154969 2.4096 24.2678 -7.18345 # jumping subtree containing (T0187)P237 jump= -0.736549 0.100034 -0.372398 -0.555705 81.0948 164.27 -117.574 # jumping subtree containing (T0187)N268 jump= 0.0773413 0.0251523 -0.984939 -0.15258 -196.363 21.3504 -311.602 # jumping subtree containing (T0187)L345 jump= 0.81749 -0.311513 0.0749372 -0.478596 -7.25018 83.7658 -10.2295 # jumping subtree containing (T0187)L345 jump= 0.948474 0.301676 -0.0630638 -0.0735659 -32.5439 -115.16 -76.6055 # jumping subtree containing (T0187)V251 jump= -0.716822 0.436287 -0.0917461 0.536099 -10.2419 115.346 5.54764 # generation 83: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106876 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 208 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 965 ## OptSubtree 833 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)L345 jump= 0.270669 -0.80359 -0.15282 -0.507571 97.3722 220.159 -183.512 # Removing break before 67 # jumping subtree containing (T0187)R325 jump= -0.909969 -0.15337 -0.112129 0.368592 -15.1687 -97.6448 -42.2969 # jumping subtree containing (T0187)K259 jump= 0.943802 -0.264856 0.107843 -0.165709 59.2469 73.9608 -3.45883 # generation 84: best score out of 40: T0187.try1-al10 76.6194 cost/residue, 279 clashes 0.0106876 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 97 ## TwoFragment 10 ## CrossOver 211 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 965 ## OptSubtree 854 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= -0.999746 0.0154564 0.0158588 -0.0041592 -9.81905 29.5066 15.4676 # jumping subtree containing (T0187)L345 jump= 0.788181 0.0295955 0.250371 0.561435 120.926 114.657 -68.9774 # jumping subtree containing (T0187)N268 jump= -0.896 0.240849 -0.281761 -0.244512 90.9536 135.783 -62.3455 # jumping subtree containing (T0187)L214 jump= 0.525225 -0.171991 0.284092 -0.783486 13.3734 -18.6913 4.71011 # jumping subtree containing (T0187)G310 jump= 0.765683 0.61422 0.0958961 -0.165129 -33.7102 -135.59 -179.07 # jumping subtree containing (T0187)L345 jump= 0.42362 0.884236 -0.171424 0.0963713 16.7803 -67.484 -329.779 # jumping subtree containing (T0187)L345 jump= -0.748637 0.00520246 0.652688 0.116254 -215.166 40.0809 -124.911 # generation 85: best score out of 40: T0187.try1-al10 76.595 cost/residue, 278 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 98 ## TwoFragment 10 ## CrossOver 217 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 965 ## OptSubtree 875 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.581703 0.760139 0.0694607 -0.281045 -97.0854 271.921 -145.712 # jumping subtree containing (T0187)L345 jump= -0.93834 -0.0917653 0.0115597 -0.333112 13.5642 1.72361 -10.2516 # jumping subtree containing (T0187)L345 jump= -0.0187623 0.0746135 -0.447027 0.891206 -66.181 -33.1324 7.78113 # jumping subtree containing (T0187)L214 jump= -0.714727 -0.437014 -0.471624 -0.275237 116.049 -7.95545 -223.099 # jumping subtree containing (T0187)G310 jump= -0.114067 0.63222 0.638408 -0.423935 -181.28 25.5287 -265.123 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= 0.631063 0.04261 0.427746 -0.645738 -40.2125 -103.765 -65.1265 # jumping subtree containing (T0187)Q234 jump= 0.710105 -0.142455 -0.364309 0.585438 -94.6353 11.8424 -25.8086 # Removing break before 58 # Removing break before 58 # jumping subtree containing (T0187)V317 jump= 0.276189 -0.285804 -0.281504 -0.873379 -29.2271 181.948 -67.2892 # jumping subtree containing (T0187)L345 jump= -0.983676 0.0769847 -0.130174 0.0975203 30.3593 25.3463 13.9022 # jumping subtree containing (T0187)G310 jump= 0.64054 0.416679 -0.560926 -0.318511 -181.616 -19.1623 -192.999 # jumping subtree containing (T0187)R325 jump= 0.703397 -0.0569037 -0.0976384 0.701756 -48.4568 52.5232 16.5271 # generation 86: best score out of 40: T0187.try1-al10 76.595 cost/residue, 278 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 98 ## TwoFragment 10 ## CrossOver 222 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 974 ## OptSubtree 890 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)L214 jump= 0.873019 0.198607 -0.369981 -0.248005 -180.055 -33.5262 -79.1675 # jumping subtree containing (T0187)T313 jump= 0.799694 0.31496 0.266743 0.436047 170.501 20.8927 -116.347 # jumping subtree containing (T0187)N268 jump= -0.803404 -0.0880618 0.101498 0.580073 -97.5688 -8.85653 -11.9284 # jumping subtree containing (T0187)L345 jump= -0.976246 0.176784 0.103063 0.071201 -44.778 43.8634 19.7983 # jumping subtree containing (T0187)I335 jump= 0.858647 0.385092 -0.164761 -0.295436 -152.161 -86.26 -108.036 # jumping subtree containing (T0187)I335 jump= -0.828705 0.150807 -0.513578 -0.163533 128.546 93.5478 -115.515 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.720612 -0.396649 -0.0759445 0.563578 -135.988 -83.7314 -83.5148 # jumping subtree containing (T0187)L345 jump= -0.689745 -0.439298 -0.575345 -0.0157004 95.8244 -79.4265 -240.652 # Removing break before 58 # Removing break before 67 # generation 87: best score out of 40: T0187.try1-al10 76.595 cost/residue, 278 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 98 ## TwoFragment 10 ## CrossOver 226 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 985 ## OptSubtree 907 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= 0.407642 -0.296372 -0.276717 -0.818181 -43.1525 160.904 -34.1855 # jumping subtree containing (T0187)I335 jump= 0.391945 0.480136 -0.07733 -0.780941 -209.544 34.5491 -157.429 # jumping subtree containing (T0187)G349 jump= -0.252794 0.42275 -0.634083 -0.596084 -22.6208 228.797 -291.346 # jumping subtree containing (T0187)L214 jump= -0.973701 -0.107155 0.192927 0.0565946 -96.1489 -36.9374 -8.10391 # jumping subtree containing (T0187)I245 jump= 0.231534 -0.591132 0.771959 0.0321511 56.1378 51.723 -349.191 # jumping subtree containing (T0187)L345 jump= 0.938546 0.0707431 0.333262 0.0553423 97.2104 -8.93451 -58.6794 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= 0.865038 0.172396 -0.432724 0.186385 -96.9189 -53.3013 -39.4913 # jumping subtree containing (T0187)K259 jump= -0.941217 -0.111004 0.260153 0.184688 -117.526 -63.558 -17.3483 # jumping subtree containing (T0187)N268 jump= 0.877291 -0.0925508 -0.388876 0.265651 -137.143 33.5907 -17.6044 # generation 88: best score out of 40: T0187.try1-al10 76.595 cost/residue, 278 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 98 ## TwoFragment 10 ## CrossOver 229 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 987 ## OptSubtree 927 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= -0.216828 0.864023 0.32819 0.314232 5.31212 210.824 -243.45 # jumping subtree containing (T0187)L345 jump= 0.670832 0.719468 -0.137578 -0.115852 -73.2282 -99.8415 -260.807 # jumping subtree containing (T0187)G201 jump= -0.539716 -0.0667747 0.0460967 0.837928 -147.069 66.4103 3.27483 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= -0.643173 0.062756 -0.726767 -0.232809 131.879 93.593 -227.687 # jumping subtree containing (T0187)N268 jump= -0.474076 -0.297163 0.407504 -0.721725 -10.7371 -56.0803 -13.5608 # jumping subtree containing (T0187)G310 jump= -0.301576 -0.555298 -0.616353 0.469899 -107.014 -74.3116 -228.096 # jumping subtree containing (T0187)N268 jump= -0.933981 0.0529456 -0.254368 -0.245303 69.3491 71.1335 -55.0352 # generation 89: best score out of 40: T0187.try1-al10 76.5949 cost/residue, 278 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 98 ## TwoFragment 10 ## CrossOver 233 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 987 ## OptSubtree 947 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)R325 jump= 0.867104 -0.390657 -0.307357 0.0324067 -121.815 182.274 -36.4314 # jumping subtree containing (T0187)N268 jump= -0.991005 -0.038515 -0.0769439 0.102496 21.8533 -28.8863 -12.0774 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= 0.713081 -0.539562 0.385893 0.226882 65.4327 160.352 -164.857 # jumping subtree containing (T0187)L214 jump= -0.931312 -0.324689 -0.114911 0.118453 4.00023 -81.2386 -77.5779 # jumping subtree containing (T0187)L345 jump= 0.659554 -0.705662 0.251988 -0.0594245 96.9513 206.81 -175.487 # generation 90: best score out of 40: T0187.try1-al10 76.4743 cost/residue, 272 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 245 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 987 ## OptSubtree 958 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= -0.805016 -0.515728 -0.188522 0.224575 -46.3657 -132.78 -179.254 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= 0.588677 -0.205319 -0.756299 -0.198281 -250.795 86.9362 -177.297 # jumping subtree containing (T0187)L345 jump= -0.235714 0.551583 -0.244621 -0.761811 -137.241 208.676 -181.468 # jumping subtree containing (T0187)N268 jump= 0.806811 -0.0828339 0.154778 0.564126 49.545 150.757 -37.6308 # jumping subtree containing (T0187)L214 jump= 0.484722 -0.873974 -0.025447 -0.0237806 18.1122 249.953 -218.798 # jumping subtree containing (T0187)N268 jump= -0.710699 -0.574501 0.383202 0.134209 -139.273 -108.554 -187.241 # jumping subtree containing (T0187)L214 jump= 0.871363 -0.0406142 0.142104 -0.46785 -33.5153 -40.8414 8.15626 # jumping subtree containing (T0187)L214 jump= 0.681544 0.662894 -0.256498 0.174004 4.90204 -141.125 -194.396 # generation 91: best score out of 40: T0187.try1-al10 76.4743 cost/residue, 272 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 247 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 996 ## OptSubtree 972 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R325 jump= 0.771412 0.22531 0.549868 -0.227605 67.6809 -101.89 -161.227 # jumping subtree containing (T0187)L214 jump= 0.737855 -0.262772 0.61199 0.109494 136.748 82.416 -155.401 # jumping subtree containing (T0187)I335 jump= 0.346885 0.101533 -0.234288 0.90248 -26.1645 22.5043 9.00517 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.160327 -0.343444 0.25892 -0.888427 28.3403 11.9611 5.17698 # jumping subtree containing (T0187)I335 jump= 0.916715 0.0551135 0.354253 -0.176353 92.3796 -28.2385 -68.6538 # Removing break before 58 # generation 92: best score out of 40: T0187.try1-al10 76.4743 cost/residue, 272 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 248 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1003 ## OptSubtree 995 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.540565 0.438004 -0.114471 -0.709111 -84.0289 192.977 -66.1348 # jumping subtree containing (T0187)I335 jump= 0.409026 0.14102 0.748343 0.502786 80.4724 174.736 -313.441 # jumping subtree containing (T0187)L345 jump= 0.44224 0.587921 0.656266 0.167595 35.2196 51.0692 -354.33 # Removing break before 67 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= -0.999148 0.00976903 -0.0347242 -0.0200763 3.08876 -7.57597 -12.1966 # jumping subtree containing (T0187)I335 jump= 0.803755 0.347873 -0.447869 -0.179933 -147.427 -91.7575 -125.392 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= 0.321045 -0.114211 -0.256534 -0.904476 -141.354 140.108 -16.3872 # Removing break before 58 # generation 93: best score out of 40: T0187.try1-al10 76.4743 cost/residue, 272 clashes 0.0101406 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 250 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1003 ## OptSubtree 1017 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.999909 0.00535622 0.00406161 0.0116886 13.5978 -12.5497 17.478 # jumping subtree containing (T0187)G324 jump= 0.507456 -0.0526842 -0.502906 0.697709 -113.017 -48.87 -17.158 # Removing break before 67 # jumping subtree containing (T0187)L214 jump= 0.55172 0.409302 -0.680606 -0.254662 -190.853 -30.9351 -231.957 # jumping subtree containing (T0187)L345 jump= 0.153069 0.415272 -0.788617 -0.426851 -168.275 86.1822 -336.562 # Removing break before 67 # jumping subtree containing (T0187)V317 jump= 0.923979 -0.11826 -0.179798 0.316149 -48.8821 66.6018 -4.47778 # generation 94: best score out of 40: T0187.try1-al10 76.474 cost/residue, 272 clashes 0.0101405 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 258 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1003 ## OptSubtree 1033 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.962765 -0.146641 0.142904 0.176515 -67.5972 -63.6818 -25.7928 # jumping subtree containing (T0187)L345 jump= 0.32073 0.332379 0.485712 -0.742119 -165.406 -110.611 -137.834 # jumping subtree containing (T0187)L345 jump= -0.409316 0.802423 -0.0284241 0.433325 75.8823 181.551 -173.169 # jumping subtree containing (T0187)N268 jump= -0.443054 0.156828 -0.681951 -0.560402 28.5158 210.109 -215.709 # jumping subtree containing (T0187)L214 jump= -0.802217 -0.589925 -0.0911546 -0.0112307 33.4505 -100.26 -191.936 # jumping subtree containing (T0187)K259 jump= 0.346077 -0.819017 0.131809 0.438256 -132.136 214.38 -257.859 # jumping subtree containing (T0187)Q327 jump= -0.941385 -0.277904 -0.165955 0.0949895 22.2731 -116.906 -89.9904 # jumping subtree containing (T0187)L345 jump= -0.18991 0.866593 0.0905553 -0.452493 -180.235 196.298 -295.574 # Removing break before 67 # generation 95: best score out of 40: T0187.try1-al10 76.4739 cost/residue, 272 clashes 0.0101405 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 265 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1003 ## OptSubtree 1050 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= -0.250795 -0.399287 -0.200727 0.858709 -155.435 1.12862 -102.225 # jumping subtree containing (T0187)L214 jump= 0.995871 0.0875903 -0.0234155 -0.00448458 -27.3297 -35.6659 -4.71938 # jumping subtree containing (T0187)I335 jump= 0.83645 0.0760743 -0.498076 -0.215601 -214.858 24.4969 -91.3349 # Removing break before 67 # jumping subtree containing (T0187)L345 jump= 0.999986 -0.0052128 -0.000579032 0.000429596 -5.22669 1.19358 -17.8618 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.619685 -0.599586 0.000165566 -0.506446 103.604 -19.7313 -109.661 # jumping subtree containing (T0187)G249 jump= 0.944145 0.137499 -0.281374 -0.102532 -113.207 -47.6609 -57.2069 # jumping subtree containing (T0187)L345 jump= -0.975981 0.0567083 0.0675034 0.19922 -51.5688 35.7437 13.2689 # jumping subtree containing (T0187)L345 jump= -0.552171 0.234477 -0.72704 -0.333978 91.5376 176.339 -273.961 # generation 96: best score out of 40: T0187.try1-al10 76.4739 cost/residue, 272 clashes 0.0101405 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 271 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1004 ## OptSubtree 1068 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= 0.8735 -0.208539 -0.367824 0.241277 -140.811 40.9786 -15.5685 # jumping subtree containing (T0187)R325 jump= 0.729263 0.652754 -0.0676112 0.193693 53.1874 -98.1658 -207.276 # jumping subtree containing (T0187)L345 jump= 0.324683 -0.681314 0.370973 -0.541083 146.654 52.5258 -129.531 # jumping subtree containing (T0187)L345 jump= 0.470649 -0.288419 0.382059 0.741172 -46.4888 259.744 -149.784 # jumping subtree containing (T0187)L345 jump= 0.343158 0.534221 0.559808 0.532415 106.249 144.49 -257.431 # jumping subtree containing (T0187)L345 jump= -0.999837 0.00733611 0.0129019 0.0103064 -12.1027 7.75729 28.188 # jumping subtree containing (T0187)N268 jump= -0.324354 0.565688 0.72155 0.232716 -159.841 207.131 -238.839 # jumping subtree containing (T0187)K259 jump= 0.204302 0.0870808 -0.439697 -0.870256 -162.432 155.213 -105.159 # jumping subtree containing (T0187)L345 jump= -0.688661 0.498313 -0.510654 -0.129082 133.081 173.302 -168.185 # generation 97: best score out of 40: T0187.try1-al10 76.4738 cost/residue, 272 clashes 0.0101405 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 99 ## TwoFragment 10 ## CrossOver 276 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1004 ## OptSubtree 1088 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L214 jump= -0.952532 -0.0295406 0.081751 -0.291766 -10.4062 -2.99555 -5.39487 # Removing break before 67 # jumping subtree containing (T0187)R325 jump= -0.599385 -0.773677 0.18012 -0.0985797 -5.75278 -116.685 -309.467 # jumping subtree containing (T0187)N268 jump= -0.602937 0.0545179 -0.768123 -0.208525 100.672 48.9492 -255.426 # jumping subtree containing (T0187)L214 jump= 0.634185 -0.0997835 -0.04129 -0.765603 -90.8431 51.2542 10.224 # jumping subtree containing (T0187)L345 jump= -0.155005 -0.232879 0.331399 -0.901063 -2.99644 6.51121 -8.36038 # jumping subtree containing (T0187)N268 jump= -0.638116 0.156825 0.588288 0.471307 -207.281 125.259 -78.5284 # jumping subtree containing (T0187)G201 jump= 0.977416 0.197521 0.0712777 -0.0237105 24.1414 -64.9593 -38.0733 # generation 98: best score out of 40: T0187.try1-al10 76.4615 cost/residue, 268 clashes 0.0101405 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 280 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1004 ## OptSubtree 1109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= -0.998922 -0.0116639 0.00319248 -0.0448162 -16.2083 -0.39802 -13.5526 # jumping subtree containing (T0187)N268 jump= -0.209731 -0.255807 0.540906 0.773302 -197.784 136.562 -188.594 # jumping subtree containing (T0187)N268 jump= -0.85767 -0.487322 -0.15655 -0.0490977 40.2917 -80.209 -129.961 # jumping subtree containing (T0187)L345 jump= 0.801938 0.394891 -0.0682966 -0.44305 -142.535 -73.1316 -114.888 # jumping subtree containing (T0187)V317 jump= 0.0627404 -0.728061 -0.659735 0.175329 -127.831 81.7459 -348.925 # Removing break before 67 # jumping subtree containing (T0187)L345 jump= 0.378087 -0.13924 -0.559908 -0.723992 -151.836 236.618 -126.593 # generation 99: best score out of 40: T0187.try1-al10 76.4615 cost/residue, 268 clashes 0.0101405 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 284 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1009 ## OptSubtree 1130 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)N268 jump= 0.989726 -0.138862 -0.0329764 -0.0084569 -17.9891 63.9958 33.5859 # jumping subtree containing (T0187)I335 jump= -0.967413 -0.178527 -0.177558 -0.0266998 58.7953 -34.5255 -90.4573 # jumping subtree containing (T0187)G349 jump= 0.711028 0.100199 -0.433071 0.544838 -91.6791 -68.1201 -14.4123 # jumping subtree containing (T0187)I335 jump= 0.806575 0.488701 -0.0246459 -0.331665 -116.838 -108.581 -129.453 # jumping subtree containing (T0187)N268 jump= 0.4864 -0.591046 -0.627779 -0.141329 -163.922 208.334 -172.282 # jumping subtree containing (T0187)N268 jump= 0.995335 -0.0398588 -0.0335766 -0.0811948 -21.3536 27.8005 -11.7336 # jumping subtree containing (T0187)N268 jump= 0.761869 -0.517745 0.321486 -0.219413 78.6941 116.304 -79.5639 # jumping subtree containing (T0187)N268 jump= -0.932223 -0.0473422 0.050373 0.355219 -64.8702 -48.6041 2.77357 # Removing break before 58 # jumping subtree containing (T0187)Q327 jump= -0.264327 0.26407 0.509653 0.775017 -89.2464 247.73 -131.619 # jumping subtree containing (T0187)G201 jump= 0.508644 -0.591805 0.470426 -0.412004 134.457 79.0435 -131.486 # generation 100: best score out of 40: T0187.try1-al10 76.1977 cost/residue, 257 clashes 0.00468348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 290 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1020 ## OptSubtree 1146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 67 # jumping subtree containing (T0187)L214 jump= 0.998837 0.0420555 0.00197373 -0.0235173 15.5198 0.637194 2.96952 # jumping subtree containing (T0187)I335 jump= -0.0435599 0.29733 -0.108975 -0.947535 -143.846 163.275 -79.4539 # jumping subtree containing (T0187)L345 jump= -0.79022 -0.22186 0.556384 0.129492 -181.387 -32.1495 -111.711 # jumping subtree containing (T0187)N268 jump= 0.968658 -0.195578 0.139087 0.0640682 70.8521 76.1939 -18.122 # jumping subtree containing (T0187)L345 jump= -0.78105 0.615494 -0.0521833 -0.0916751 34.4503 220.443 -81.2422 # Removing break before 67 # jumping subtree containing (T0187)L214 jump= -0.843081 0.535725 -0.0269788 -0.0385449 18.8026 193.083 -52.0451 # generation 101: best score out of 40: T0187.try1-al10 76.1977 cost/residue, 257 clashes 0.00468348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 292 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1026 ## OptSubtree 1167 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= 0.849055 -0.267101 -0.239758 -0.387658 -121.244 124.491 2.88363 # jumping subtree containing (T0187)L345 jump= 0.398425 0.728141 0.557537 -0.0148366 -6.94945 -3.43759 -387.166 # jumping subtree containing (T0187)G201 jump= 0.235923 0.088 -0.317775 0.91412 -24.7785 21.4396 28.7223 # jumping subtree containing (T0187)L214 jump= 0.0333161 -0.640143 -0.0873135 0.762551 -194.283 95.3965 -174.982 # jumping subtree containing (T0187)V317 jump= 0.436544 0.647065 0.272479 0.562575 155.762 49.0678 -225.924 # jumping subtree containing (T0187)V317 jump= 0.292853 0.289498 0.872136 -0.26421 -18.701 -112.756 -319.285 # jumping subtree containing (T0187)V317 jump= -0.932863 -0.143708 0.142845 0.297841 -111.236 -31.516 -11.2653 # jumping subtree containing (T0187)L345 jump= -0.998384 -0.0343287 0.0101166 0.0441435 -19.2235 -32.0286 3.72898 # generation 102: best score out of 40: T0187.try1-al10 76.1873 cost/residue, 253 clashes 0.00468348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 302 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1027 ## OptSubtree 1189 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G349 jump= -0.00746689 -0.0691208 0.091977 -0.993331 -22.6568 90.1553 6.61237 # jumping subtree containing (T0187)S289 jump= 0.989344 -0.0609191 -0.0411895 0.125661 -7.50145 43.3563 -8.97603 # jumping subtree containing (T0187)K259 jump= -0.85173 -0.311357 0.310972 -0.284445 -39.3954 -98.9854 -48.7634 # jumping subtree containing (T0187)L345 jump= 0.76662 0.10932 -0.227989 -0.590223 -182.474 13.7886 -48.286 # jumping subtree containing (T0187)L345 jump= -0.71283 -0.143239 -0.189242 0.659957 -119.03 -34.371 -23.6743 # jumping subtree containing (T0187)K259 jump= -0.988513 0.150423 0.0137165 0.00512926 -11.4442 60.3146 -5.82821 # jumping subtree containing (T0187)F309 jump= 0.488684 0.623148 -0.599647 0.115314 -18.7261 -85.2856 -295.674 # jumping subtree containing (T0187)L214 jump= 0.544277 0.100272 -0.500488 -0.665747 -221.496 110.902 -90.3825 # jumping subtree containing (T0187)L345 jump= 0.916333 -0.229715 -0.136199 -0.298352 -80.6807 75.0968 22.5015 # generation 103: best score out of 40: T0187.try1-al10 76.1873 cost/residue, 253 clashes 0.00468348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 308 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1032 ## OptSubtree 1212 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= 0.0573291 0.327565 -0.218878 -0.917337 -188.315 165.824 -134.385 # jumping subtree containing (T0187)K259 jump= -0.565797 0.425276 0.663924 -0.241286 -221.753 78.3151 -139.125 # jumping subtree containing (T0187)L345 jump= 0.949069 0.277808 0.100862 0.109172 77.8719 -67.4788 -59.5723 # jumping subtree containing (T0187)G201 jump= -0.813543 0.193941 0.302851 0.456964 -164.066 92.049 -14.4689 # jumping subtree containing (T0187)V317 jump= -0.986537 -0.135047 -0.0713802 0.0584156 -2.65442 -70.8628 -26.0017 # generation 104: best score out of 40: T0187.try1-al10 76.1833 cost/residue, 253 clashes 0.00468348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 312 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1032 ## OptSubtree 1238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.582864 0.740593 0.313375 0.116566 86.548 -33.2842 -312.383 # jumping subtree containing (T0187)L345 jump= 0.504594 -0.731065 0.197279 0.414741 -68.5388 255.531 -207.663 # jumping subtree containing (T0187)G201 jump= 0.99999 -0.00116631 0.004017 0.00136605 -11.4439 -7.04056 20.1603 # jumping subtree containing (T0187)L345 jump= 0.861854 -0.331753 0.302328 -0.236104 96.0931 68.1149 -63.2874 # Removing break before 58 # jumping subtree containing (T0187)L345 jump= 0.235657 -0.795268 -0.556794 -0.0446562 -118.886 202.086 -301.324 # jumping subtree containing (T0187)R230 jump= -0.875641 0.210882 -0.305503 -0.308949 87.9457 128.681 -38.2493 # jumping subtree containing (T0187)I335 jump= 0.0596519 -0.0675384 -0.674408 -0.73284 -118.798 252.758 -212.087 # jumping subtree containing (T0187)L345 jump= 0.540209 0.554573 0.0865134 -0.627008 -212.491 -57.3406 -203.453 # jumping subtree containing (T0187)G201 jump= 0.881038 -0.0355104 0.144172 0.449139 59.044 97.1117 2.44206 # jumping subtree containing (T0187)L345 jump= -0.47905 0.670179 -0.0579437 0.563927 99.681 150.415 -81.8712 # generation 105: best score out of 40: T0187.try1-al10 76.1833 cost/residue, 253 clashes 0.00468348 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 317 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1041 ## OptSubtree 1248 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.538619 0.249194 -0.35104 0.724267 4.20442 -53.4208 -0.613848 # jumping subtree containing (T0187)L214 jump= -0.8865 -0.141553 -0.378268 -0.225816 140.337 -1.87869 -79.4062 # jumping subtree containing (T0187)L214 jump= -0.438985 0.418254 0.169829 0.776862 -44.2874 165.214 -29.3774 # jumping subtree containing (T0187)I335 jump= 0.973831 -0.161397 0.143923 -0.0699287 62.4968 54.6857 -20.2871 # jumping subtree containing (T0187)K259 jump= -0.211896 0.320565 -0.040583 -0.922329 -154.985 161.461 -78.6996 # jumping subtree containing (T0187)L214 jump= 0.911219 -0.301871 0.27812 0.034671 113.16 116.649 -60.6691 # Removing break before 58 # jumping subtree containing (T0187)R325 jump= 0.482634 -0.132069 0.722935 -0.476433 41.7517 -120.018 -211.813 # Removing break before 58 # generation 106: best score out of 40: T0187.try1-al10 76.1831 cost/residue, 253 clashes 0.00468346 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 319 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1049 ## OptSubtree 1272 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= -0.185149 0.494792 0.820168 0.219602 -116.006 165.656 -288.778 # jumping subtree containing (T0187)K259 jump= 0.937214 -0.229242 -0.242426 -0.10153 -110.048 83.6501 17.9665 # Removing break before 58 # jumping subtree containing (T0187)Q327 jump= -0.696243 -0.600384 0.357299 -0.164685 -25.4409 -163.473 -213.113 # jumping subtree containing (T0187)G201 jump= 0.784764 -0.105933 -0.137217 0.595059 -38.3764 105.002 5.95668 # generation 107: best score out of 40: T0187.try1-al10 76.1829 cost/residue, 253 clashes 0.00468343 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 323 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1054 ## OptSubtree 1288 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= -0.42468 0.26355 0.37545 -0.780529 -146.924 22.2472 -54.1494 # jumping subtree containing (T0187)L214 jump= -0.996072 0.0119435 0.0838225 -0.0259121 -41.5266 12.2827 11.7774 # generation 108: best score out of 40: T0187.try1-al10 76.1829 cost/residue, 253 clashes 0.00468343 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 325 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1057 ## OptSubtree 1313 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.999687 0.0111444 0.00284863 0.0222235 10.7128 21.989 8.70099 # jumping subtree containing (T0187)I335 jump= -0.36575 0.121079 -0.880972 0.274692 64.1153 -91.6028 -307.375 # jumping subtree containing (T0187)L214 jump= -0.0287946 -0.249851 -0.934123 -0.253298 -56.2577 90.6022 -286.672 # jumping subtree containing (T0187)K259 jump= 0.711563 0.503564 0.489498 -0.0222069 65.2029 -83.7653 -270.083 # jumping subtree containing (T0187)I335 jump= 0.0672105 0.361643 0.901596 -0.227645 -89.0381 -33.9409 -294.008 # jumping subtree containing (T0187)I335 jump= -0.70713 -0.338854 -0.166214 -0.597928 110.7 58.931 -101.193 # jumping subtree containing (T0187)I335 jump= -0.293939 -0.796894 -0.338458 0.404975 -118.272 -90.1963 -282.165 # jumping subtree containing (T0187)K292 jump= -0.864957 0.489475 0.0778711 -0.0787366 -32.5485 201.653 -39.57 # jumping subtree containing (T0187)T209 jump= -0.15953 -0.486385 0.676935 -0.528904 25.208 -123.651 -167.094 # generation 109: best score out of 40: T0187.try1-al10 76.1764 cost/residue, 253 clashes 0.00468347 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 328 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1059 ## OptSubtree 1335 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.874485 0.272977 0.00959385 -0.400833 -47.1201 86.3671 -40.6363 # jumping subtree containing (T0187)T209 jump= 0.564484 -0.801357 -0.0996999 0.17101 -45.2619 187.671 -202.733 # jumping subtree containing (T0187)K259 jump= -0.558077 0.711711 -0.0884575 -0.417365 -53.783 170.606 -143.819 # jumping subtree containing (T0187)R325 jump= -0.293116 -0.415269 0.82999 0.229676 -109.745 22.617 -307.259 # jumping subtree containing (T0187)L214 jump= -0.534776 -0.713115 0.453198 0.00966927 -70.1547 -105.959 -243.939 # jumping subtree containing (T0187)L217 jump= -0.454996 0.021919 -0.79885 0.392857 63.4308 -105.29 -230.085 # jumping subtree containing (T0187)G201 jump= -0.990404 0.126477 0.035047 -0.0432924 -9.65216 71.6352 4.91644 # jumping subtree containing (T0187)I335 jump= -0.865987 -0.145318 -0.476753 -0.0406864 108.406 -41.7791 -109.593 # generation 110: best score out of 40: T0187.try1-al10 76.1764 cost/residue, 253 clashes 0.00468347 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 329 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1065 ## OptSubtree 1352 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= -0.124736 -0.718223 0.642552 0.236059 -111.503 -10.5136 -365.615 # jumping subtree containing (T0187)I287 jump= -0.428488 -0.737206 -0.364088 0.374652 -97.6312 -47.6679 -271.363 # jumping subtree containing (T0187)I335 jump= 0.999795 0.020138 0.00206376 -0.000605779 17.8261 -14.3802 -11.125 # jumping subtree containing (T0187)L233 jump= -0.669331 -0.131441 -0.663878 -0.30657 182.252 80.0812 -227.514 # jumping subtree containing (T0187)I335 jump= 0.572766 -0.08013 -0.623674 -0.525879 -145.377 105.732 -113.951 # jumping subtree containing (T0187)I335 jump= -0.999985 0.000146344 0.00405748 -0.00373913 -14.8439 16.4727 16.2672 # jumping subtree containing (T0187)L345 jump= -0.142882 -0.276437 0.304481 -0.900255 55.3326 15.9712 2.42607 # jumping subtree containing (T0187)R325 jump= 0.762447 0.342767 0.312989 -0.450803 -35.9479 -151.897 -145.515 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= 0.776514 0.597977 0.198564 0.004733 57.9005 -143.133 -217.015 # jumping subtree containing (T0187)I335 jump= 0.338388 0.363369 -0.124199 -0.859088 -217.409 106.898 -112.345 # generation 111: best score out of 40: T0187.try1-al10 76.1758 cost/residue, 253 clashes 0.00468345 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 332 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1071 ## OptSubtree 1376 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L214 jump= 0.846056 0.495122 -0.0342057 0.194613 44.0829 -126.225 -153.266 # jumping subtree containing (T0187)T209 jump= 0.934119 -0.0429074 -0.310919 0.170029 -116.783 -0.931997 16.896 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= 0.169825 0.818471 0.168159 -0.522482 -219.966 50.225 -329.53 # jumping subtree containing (T0187)V317 jump= -0.49994 0.47901 -0.0951184 0.715235 60.9817 138.643 -25.4594 # jumping subtree containing (T0187)K259 jump= 0.331797 0.640773 -0.685815 0.0947527 -49.1218 -51.6712 -298.609 # jumping subtree containing (T0187)L214 jump= -0.463708 0.695471 -0.511946 -0.198008 102.31 209.954 -259.647 # jumping subtree containing (T0187)G201 jump= -0.270909 0.0980386 0.391655 -0.873844 -107.366 8.9548 -12.6543 # generation 112: best score out of 40: T0187.try1-al10 76.1758 cost/residue, 253 clashes 0.00468345 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 336 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1074 ## OptSubtree 1401 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R325 jump= 0.549579 0.342066 -0.372125 -0.665189 -219.065 60.4692 -164.261 # jumping subtree containing (T0187)L345 jump= -0.996107 -0.0409262 0.0686655 0.0371731 -28.7353 8.49601 -1.38163 # jumping subtree containing (T0187)L345 jump= -0.384323 0.700982 0.453861 -0.393612 -212.141 131.971 -218.561 # jumping subtree containing (T0187)K259 jump= -0.256657 0.636972 -0.0571371 -0.724658 -174.775 207.251 -186.391 # jumping subtree containing (T0187)I335 jump= 0.649171 0.0278025 0.294922 0.700588 132.773 183.916 -76.9371 # jumping subtree containing (T0187)I287 jump= -0.404456 -0.151211 0.0901809 0.897451 -150.318 59.0016 -21.7167 # jumping subtree containing (T0187)L214 jump= 0.88802 0.0463129 0.205517 0.408704 97.731 47.9026 -59.0188 # generation 113: best score out of 40: T0187.try1-al10 76.1757 cost/residue, 253 clashes 0.00468345 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 100 ## TwoFragment 10 ## CrossOver 338 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1074 ## OptSubtree 1429 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= -0.195784 -0.227245 0.932159 0.202752 -123.468 44.1038 -343.233 # jumping subtree containing (T0187)V243 jump= 0.725891 -0.650307 0.0836938 -0.207795 67.006 207.125 -92.0462 # jumping subtree containing (T0187)K259 jump= -0.883785 0.123231 0.0522224 0.448342 -62.7287 37.5396 22.3157 # jumping subtree containing (T0187)L214 jump= -0.925611 0.174918 -0.0305059 0.334242 -31.0369 75.5973 5.02694 # jumping subtree containing (T0187)L345 jump= 0.169332 -0.0835069 -0.442275 0.876782 -118.117 -0.628786 -37.2541 # Removing break before 58 # jumping subtree containing (T0187)K259 jump= 0.955388 0.184562 -0.170349 -0.155406 -79.7717 -72.9649 -22.8994 # jumping subtree containing (T0187)T209 jump= -0.997972 -0.00388756 -0.0375531 -0.0512583 26.4589 12.6396 0.182692 # generation 114: best score out of 40: T0187.try1-al10 76.1311 cost/residue, 250 clashes 0.0112702 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 101 ## TwoFragment 10 ## CrossOver 343 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1075 ## OptSubtree 1446 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= 0.192474 -0.0766654 0.869623 0.448142 7.54585 209.464 -356.192 # Removing break before 58 # jumping subtree containing (T0187)Q327 jump= 0.527032 -0.370618 0.489643 0.587477 1.062 258.555 -187.759 # jumping subtree containing (T0187)K259 jump= -0.081945 -0.164941 0.915061 -0.358807 -59.7712 -101.899 -242.501 # jumping subtree containing (T0187)I335 jump= -0.960313 -0.225097 -0.137665 0.0904333 20.6438 -73.8086 -60.8257 # jumping subtree containing (T0187)K259 jump= 0.583406 0.4542 -0.396393 0.544253 10.4472 -91.1697 -103.554 # jumping subtree containing (T0187)K259 jump= -0.687061 0.362048 0.119769 -0.618485 -96.9677 170.828 -5.60802 # Removing break before 58 # generation 115: best score out of 40: T0187.try1-al10 76.1311 cost/residue, 250 clashes 0.0112702 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 101 ## TwoFragment 10 ## CrossOver 346 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1085 ## OptSubtree 1462 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= 0.604715 -0.744959 -0.278266 0.043861 -104.232 255.957 -175.88 # jumping subtree containing (T0187)R325 jump= -0.985513 -0.0151678 0.0641703 0.156255 -28.5154 -0.982577 22.3979 # jumping subtree containing (T0187)I335 jump= 0.134386 0.216451 0.618234 0.743556 -48.5316 236.35 -170.514 # Removing break before 58 # jumping subtree containing (T0187)R325 jump= -0.851568 -0.023614 0.00396587 -0.523697 24.4196 74.412 -19.8937 # jumping subtree containing (T0187)T313 jump= -0.115555 -0.185615 0.968608 0.118293 -49.4022 53.3991 -401.705 # Removing break before 58 # generation 116: best score out of 40: T0187.try1-al10 76.0404 cost/residue, 250 clashes 0.0178173 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 346 ## CrossAndInsert 41 ## ReduceClash 34 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1094 ## OptSubtree 1485 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= 0.0608249 -0.756123 0.633081 0.154229 -15.1515 83.2697 -386.357 # jumping subtree containing (T0187)N326 jump= 0.97981 -0.120331 -0.0983074 -0.125809 -47.4589 41.3898 -2.80431 # Removing break before 58 # jumping subtree containing (T0187)I287 jump= -0.59634 0.57338 0.521345 0.209315 -155.29 265.025 -181.378 # jumping subtree containing (T0187)R325 jump= -0.812356 -0.396808 -0.0103938 0.427215 -133.979 -127.959 -104.918 # Removing break before 58 # jumping subtree containing (T0187)Q327 jump= -0.951344 0.000404457 0.171808 -0.255787 -56.9168 3.70855 -19.3361 # generation 117: best score out of 40: T0187.try1-al10 76.0403 cost/residue, 250 clashes 0.0178177 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 348 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1103 ## OptSubtree 1501 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= 0.182596 0.331047 0.833076 0.403795 24.7419 170.144 -348.797 # jumping subtree containing (T0187)L345 jump= 0.31513 0.589233 -0.222091 0.710051 131.357 -8.13223 -91.2122 # jumping subtree containing (T0187)E235 jump= 0.999365 0.0319045 -0.0128876 0.00920704 -0.710305 -3.68641 0.0230441 # jumping subtree containing (T0187)K259 jump= 0.892234 -0.234303 -0.253136 -0.291449 -108.773 117.404 21.5364 # generation 118: best score out of 40: T0187.try1-al10 75.9583 cost/residue, 240 clashes 0.0112306 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 350 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1116 ## OptSubtree 1522 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L345 jump= -0.967315 0.227123 0.0932416 -0.0634299 -48.7513 87.0036 4.1068 # jumping subtree containing (T0187)V317 jump= -0.625215 -0.744214 -0.232745 -0.032886 65.2283 -100.639 -332.543 # jumping subtree containing (T0187)G349 jump= 0.771405 0.567447 0.238256 -0.161779 -16.7488 -146.485 -223.474 # jumping subtree containing (T0187)F296 jump= 0.67277 0.300954 -0.616011 -0.278097 -289.907 -25.8907 -205.489 # jumping subtree containing (T0187)I335 jump= 0.767683 0.120001 -0.574633 -0.257019 -232.866 13.3918 -113.252 # jumping subtree containing (T0187)H239 jump= 0.505605 0.240792 0.514902 0.649045 145.11 162.194 -168.152 # jumping subtree containing (T0187)R325 jump= -0.0277049 0.822665 0.0224964 -0.567405 -204.293 130.522 -269.814 # jumping subtree containing (T0187)L345 jump= 0.00750376 0.561104 0.737916 0.374947 -19.471 187.58 -358.424 # jumping subtree containing (T0187)I287 jump= 0.0485429 -0.593487 -0.0509211 -0.801763 120.117 76.9457 -98.6315 # jumping subtree containing (T0187)W204 jump= -0.639857 -0.593348 -0.482095 0.0781396 61.8226 -136.078 -297.549 # jumping subtree containing (T0187)L214 jump= -0.634538 -0.0934791 -0.68265 0.350161 119.356 -134.02 -208.78 # Removing break before 38 # jumping subtree containing (T0187)I335 jump= -0.975763 0.189245 -0.0472339 0.099206 5.44746 46.0109 -6.38434 # generation 119: best score out of 40: T0187.try1-al10 75.9576 cost/residue, 240 clashes 0.0112306 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 351 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1136 ## OptSubtree 1536 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R325 jump= -0.654092 -0.215544 0.540026 0.483814 -240.457 46.0469 -188.493 # jumping subtree containing (T0187)H239 jump= -0.957571 0.152548 0.244334 0.00939974 -91.5113 81.2349 -12.4048 # jumping subtree containing (T0187)I335 jump= 0.996636 0.0439526 -0.0380426 0.0577649 -16.5708 -37.0658 3.4516 # jumping subtree containing (T0187)I335 jump= 0.563647 0.308326 0.457812 -0.614529 -83.6699 -128.409 -150.017 # jumping subtree containing (T0187)R325 jump= -0.956524 0.0366419 -0.252285 -0.141676 131.809 29.9759 -32.5766 # jumping subtree containing (T0187)Q327 jump= 0.902549 0.150426 0.199629 0.350608 107.48 28.0987 -65.3831 # jumping subtree containing (T0187)G201 jump= 0.205522 0.587804 0.281244 -0.73017 -239.245 -35.3552 -214.406 # jumping subtree containing (T0187)I222 jump= 0.874914 -0.278127 0.20955 -0.33654 73.0959 46.0383 -47.8846 # Removing break before 58 # jumping subtree containing (T0187)L214 jump= -0.741191 -0.216335 -0.592359 0.2301 66.9383 -100.009 -197.118 # generation 120: best score out of 40: T0187.try1-al10 75.9576 cost/residue, 240 clashes 0.0112306 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 359 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1145 ## OptSubtree 1554 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L214 jump= 0.880397 0.132728 0.191801 0.412913 111.306 25.9955 -62.819 # jumping subtree containing (T0187)K259 jump= -0.574422 0.604447 -0.123116 -0.538077 -64.8809 288.815 -127.128 # jumping subtree containing (T0187)I335 jump= -0.995034 -0.0585573 0.0569074 0.0569145 -31.3418 -48.7784 -8.70511 # jumping subtree containing (T0187)L214 jump= -0.777766 0.536365 -0.233103 -0.230336 73.3436 240.38 -141.222 # jumping subtree containing (T0187)V317 jump= 0.142055 0.897148 -0.169457 -0.382401 -129.492 52.77 -378.591 # Removing break before 58 # jumping subtree containing (T0187)I335 jump= -0.988199 -0.0523357 0.107307 -0.0959633 -24.0257 -45.0033 -2.86448 # jumping subtree containing (T0187)I287 jump= -0.725232 0.525862 -0.42294 -0.136492 145.292 216.34 -162.511 # jumping subtree containing (T0187)I335 jump= 0.58879 0.735053 0.318761 0.106837 90.0385 -83.727 -322.581 # jumping subtree containing (T0187)V251 jump= 0.6102 0.014438 -0.598001 -0.519464 -194.261 123.971 -127.595 # jumping subtree containing (T0187)R325 jump= 0.624076 0.490886 -0.523108 0.309706 -60.9955 -142.553 -163.959 # jumping subtree containing (T0187)V317 jump= 0.0785387 0.775529 0.428158 -0.457239 -219.707 43.9882 -318.969 # generation 121: best score out of 40: T0187.try1-al10 75.9575 cost/residue, 240 clashes 0.0112304 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 361 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1148 ## OptSubtree 1579 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= -0.536625 -0.808999 0.0420711 -0.236185 79.5996 -53.2016 -331.841 # jumping subtree containing (T0187)Q327 jump= 0.318341 0.626196 -0.418921 0.575364 105.894 -91.8647 -218.735 # Removing break before 58 # jumping subtree containing (T0187)V317 jump= 0.798956 0.441587 0.211721 -0.349061 -44.9929 -141.603 -165.675 # jumping subtree containing (T0187)I335 jump= 0.948439 0.055639 -0.16873 0.262483 -36.8479 7.52572 -13.7059 # jumping subtree containing (T0187)I335 jump= 0.999805 0.00650747 -0.00509548 -0.0179381 -10.2982 -14.5826 5.29727 # jumping subtree containing (T0187)S289 jump= 0.993743 -0.0213351 0.0858618 -0.0681669 34.3669 -9.79952 9.01933 # jumping subtree containing (T0187)Q327 jump= 0.883095 -0.00779343 -0.284321 -0.373154 -165.286 18.8046 -12.7253 # jumping subtree containing (T0187)I335 jump= -0.439363 -0.277561 0.435922 -0.734774 -13.8515 -110.918 -78.0993 # jumping subtree containing (T0187)A269 jump= -0.204176 0.571605 0.740554 -0.288373 -209.59 52.5456 -348.107 # generation 122: best score out of 40: T0187.try1-al10 75.9571 cost/residue, 240 clashes 0.0112305 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 365 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1152 ## OptSubtree 1600 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= -0.568034 -0.590582 -0.560974 -0.117723 88.4816 -60.0265 -323.25 # Removing break before 38 # Removing break before 38 # jumping subtree containing (T0187)I335 jump= -0.509032 0.79119 0.317733 0.118116 -60.6451 285.161 -238.65 # jumping subtree containing (T0187)G249 jump= 0.801187 -0.336899 0.320589 0.376591 99.0674 214.023 -124.915 # jumping subtree containing (T0187)N268 jump= 0.982701 0.0104722 -0.0302269 -0.182417 -19.4303 -10.8307 14.1827 # jumping subtree containing (T0187)R325 jump= 0.943985 0.0885055 -0.315329 0.0403261 -105.299 -13.6751 -9.78839 # Removing break before 58 # jumping subtree containing (T0187)R325 jump= 0.383945 -0.229769 -0.849805 0.278612 -245.767 7.69722 -231.19 # generation 123: best score out of 40: T0187.try1-al10 75.9568 cost/residue, 240 clashes 0.0112306 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 367 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1157 ## OptSubtree 1617 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.561558 0.557767 0.0515871 -0.609005 -143.393 201.164 -98.3428 # jumping subtree containing (T0187)E270 jump= -0.994114 -0.00302672 0.0921409 0.0569026 -54.9774 -10.8161 22.1748 # jumping subtree containing (T0187)K259 jump= -0.99678 -0.0618217 0.0138111 0.0491724 -20.1572 -31.376 -6.19751 # jumping subtree containing (T0187)I335 jump= -0.61136 -0.315071 0.127999 -0.714553 119.653 6.01394 -63.922 # jumping subtree containing (T0187)I335 jump= 0.998034 0.0328483 0.00716952 -0.0528922 10.5982 0.735106 -13.5071 # Removing break before 38 # generation 124: best score out of 40: T0187.try1-al10 75.9568 cost/residue, 240 clashes 0.0112304 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 369 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1158 ## OptSubtree 1640 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= -0.762352 0.143495 -0.509926 -0.37176 133.213 152.95 -152.993 # jumping subtree containing (T0187)I287 jump= 0.994624 -0.0705025 0.0250593 -0.071584 8.12524 9.74509 0.9724 # jumping subtree containing (T0187)V317 jump= 0.989976 -0.0381847 0.0579737 -0.122998 26.8795 4.01967 11.3489 # jumping subtree containing (T0187)I222 jump= -0.194168 0.465066 -0.3661 -0.782294 -109.943 347.294 -244.238 # jumping subtree containing (T0187)R325 jump= -0.947834 -0.162104 0.0109118 -0.27425 33.6837 -36.3199 -53.9806 # jumping subtree containing (T0187)G201 jump= 0.392786 -0.671035 -0.418805 0.469077 -240.231 151.587 -213.453 # generation 125: best score out of 40: T0187.try1-al10 75.9562 cost/residue, 240 clashes 0.0112308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 372 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1160 ## OptSubtree 1659 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.0277042 0.71268 -0.647049 0.269532 70.139 -106.008 -393.831 # jumping subtree containing (T0187)V294 jump= -0.695477 -0.24372 -0.224263 -0.637667 147.238 100.072 -70.1256 # Removing break before 38 # jumping subtree containing (T0187)I335 jump= -0.957787 0.0146967 -0.0191859 0.28646 -29.1541 -25.3682 -3.87593 # jumping subtree containing (T0187)H239 jump= -0.84803 0.515881 -0.11317 0.0436456 66.8663 236.472 -112.573 # jumping subtree containing (T0187)I335 jump= -0.647267 0.63803 -0.379569 -0.172887 64.6835 226.777 -220.022 # jumping subtree containing (T0187)V317 jump= -0.268806 0.930135 -0.177638 0.176174 91.3202 206.834 -330.678 # jumping subtree containing (T0187)V294 jump= -0.333633 0.576749 -0.745653 -0.0071854 113.425 104.647 -404.017 # Removing break before 38 # jumping subtree containing (T0187)Q327 jump= -0.987991 -0.141207 0.0599751 -0.0183886 -7.45458 -60.6134 -50.8149 # jumping subtree containing (T0187)V317 jump= -0.653763 0.755729 -0.0365262 0.0115567 26.2776 328.545 -182.379 # generation 126: best score out of 40: T0187.try1-al10 75.9562 cost/residue, 240 clashes 0.0112308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 380 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1160 ## OptSubtree 1675 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= -0.322705 -0.55113 -0.630568 0.441022 -153.12 -117.712 -329.638 # jumping subtree containing (T0187)I335 jump= -0.719003 -0.615003 0.227828 -0.230002 10.2554 -151.127 -170.142 # jumping subtree containing (T0187)L329 jump= -0.115124 0.307315 -0.220138 0.918609 55.5539 42.3703 -8.16026 # jumping subtree containing (T0187)I232 jump= 0.478142 0.247751 -0.251808 -0.804109 -229.783 57.9643 -101.768 # jumping subtree containing (T0187)P304 jump= 0.504741 -0.106093 -0.848523 0.118275 -262.247 -1.97052 -300.158 # jumping subtree containing (T0187)I287 jump= -0.999811 0.0024525 -0.0164983 0.00998854 4.57035 2.67968 27.2013 # jumping subtree containing (T0187)I287 jump= 0.19352 0.551282 -0.685266 0.434797 95.1911 -100.793 -262.055 # jumping subtree containing (T0187)V294 jump= -0.998405 -0.0280588 -0.0140526 -0.0469426 -7.91174 0.651559 14.3571 # jumping subtree containing (T0187)I335 jump= 0.821189 0.545383 -0.00671839 -0.167815 -36.4936 -214.417 -187.027 # jumping subtree containing (T0187)L214 jump= -0.879741 0.299399 -0.18776 -0.31806 53.7619 190.366 -27.2755 # jumping subtree containing (T0187)A305 jump= 0.473474 -0.211101 -0.0504126 0.853649 -122.928 149.18 -24.7771 # jumping subtree containing (T0187)I335 jump= 0.0722921 0.0517766 0.116342 -0.989221 -133.283 21.8738 -24.0362 # generation 127: best score out of 40: T0187.try1-al10 75.9562 cost/residue, 240 clashes 0.0112308 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 381 ## CrossAndInsert 41 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1161 ## OptSubtree 1697 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q234 jump= -0.762869 0.0916046 0.63618 0.0701009 -270.607 48.323 -157.323 # jumping subtree containing (T0187)T209 jump= -0.429802 -0.403486 0.805887 0.0549164 -229.033 -66.6901 -368.824 # jumping subtree containing (T0187)H239 jump= -0.402751 0.251617 0.542741 0.692757 -77.1891 256.605 -164.162 # jumping subtree containing (T0187)K259 jump= 0.123104 -0.256528 -0.63436 -0.718767 -26.8867 259.709 -233.945 # jumping subtree containing (T0187)I232 jump= 0.588361 0.579667 0.140293 0.546018 162.663 -49.8517 -200.724 # Removing break before 38 # jumping subtree containing (T0187)I335 jump= -0.866622 -0.399501 0.101114 -0.281323 25.9427 -151.016 -68.5256 # jumping subtree containing (T0187)T209 jump= 0.986638 -0.14588 0.0569534 0.0449499 24.877 62.5504 -23.3338 # generation 128: best score out of 40: T0187.try1-al10 75.8383 cost/residue, 239 clashes 0.0247302 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 383 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 23 ## JiggleSubtree 1161 ## OptSubtree 1718 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 68 # jumping subtree containing (T0187)I232 jump= -0.770199 0.429195 -0.311239 -0.354564 52.6796 232.014 -170.759 # Removing break before 38 # jumping subtree containing (T0187)P304 jump= 0.52681 0.316009 -0.577441 0.537746 -82.6232 -163.374 -152.74 # jumping subtree containing (T0187)R325 jump= -0.2509 0.799816 0.116721 0.532653 116.365 214.638 -234.936 # jumping subtree containing (T0187)V317 jump= 0.433635 -0.887055 0.154127 0.036593 43.4516 250.313 -348.858 # jumping subtree containing (T0187)V294 jump= 0.293665 0.780114 0.467148 -0.294881 -132.186 -33.3647 -399.32 # jumping subtree containing (T0187)I335 jump= -0.35563 0.133336 0.669537 -0.638332 -257.003 -136.518 -158.193 # jumping subtree containing (T0187)T209 jump= -0.84313 -0.1637 0.275423 0.43183 -193.363 -55.5223 -52.7648 # jumping subtree containing (T0187)I287 jump= -0.407115 0.264433 -0.060683 -0.872153 -119.549 211.944 -57.1552 # Removing break before 38 # generation 129: best score out of 40: T0187.try1-al10 75.6829 cost/residue, 243 clashes 0.0175955 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 43 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 386 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 24 ## JiggleSubtree 1167 ## OptSubtree 1732 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R325 jump= 0.127747 0.190826 0.106992 -0.967377 -162.781 73.7645 -8.83335 # Removing break before 58 # jumping subtree containing (T0187)A269 jump= -0.666322 0.102223 0.0556023 -0.736528 -2.29982 183.574 -2.15029 # jumping subtree containing (T0187)I335 jump= 0.953423 -0.100433 0.0833709 -0.271933 -4.20084 0.578295 25.6297 # jumping subtree containing (T0187)L301 jump= -0.634367 0.220535 0.738191 0.0633824 -251.337 97.7094 -182.043 # Removing break before 68 # jumping subtree containing (T0187)I335 jump= -0.511912 -0.146447 0.842317 -0.0836768 -217.396 -36.4275 -273.852 # generation 130: best score out of 40: T0187.try1-al10 75.6796 cost/residue, 243 clashes 0.0175957 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 388 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1175 ## OptSubtree 1755 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= 0.603546 0.29664 -0.391798 0.627878 -31.7696 -98.8405 -77.4995 # jumping subtree containing (T0187)I335 jump= 0.739 0.353474 -0.326965 0.4712 -20.2125 -121.355 -63.3248 # jumping subtree containing (T0187)V294 jump= 0.131452 0.166674 0.943982 -0.252663 -96.3273 -89.2789 -337.603 # jumping subtree containing (T0187)S241 jump= 0.182439 0.0399099 0.208882 0.959943 15.9667 226.434 -58.6331 # generation 131: best score out of 40: T0187.try1-al10 75.6791 cost/residue, 243 clashes 0.0175956 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 390 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1189 ## OptSubtree 1774 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= 0.141669 -0.348381 -0.453197 -0.808191 -54.624 250.358 -113.994 # jumping subtree containing (T0187)V294 jump= -0.208118 0.904143 -0.247099 -0.279563 -69.4611 194.211 -457.743 # jumping subtree containing (T0187)I335 jump= -0.986484 0.0147809 -0.138558 -0.086213 47.6694 9.45072 -33.237 # jumping subtree containing (T0187)C346 jump= 0.210032 0.459472 -0.581835 0.63737 77.6755 -133.755 -195.206 # jumping subtree containing (T0187)T209 jump= -0.88228 -0.22411 -0.228931 -0.344889 142.175 -27.5918 -67.1936 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.296052 -0.632248 -0.713742 -0.0564604 -129.064 149.383 -400.934 # jumping subtree containing (T0187)Q327 jump= 0.652501 -0.0984195 0.652202 -0.37308 139.486 -74.6377 -201.155 # jumping subtree containing (T0187)V294 jump= -0.72863 -0.00159138 0.600163 0.330001 -332.105 82.6982 -130.941 # jumping subtree containing (T0187)G201 jump= 0.728215 0.0543691 -0.306566 0.610545 -68.5907 3.2154 -1.655 # jumping subtree containing (T0187)I335 jump= 0.853232 0.311123 -0.278795 -0.312202 -151.93 -75.5869 -116.179 # jumping subtree containing (T0187)T209 jump= -0.808237 0.344676 0.337595 0.33761 -133.646 186.337 -67.2546 # jumping subtree containing (T0187)V294 jump= 0.189405 -0.507991 -0.493254 0.680273 -285.515 14.6497 -191.731 # jumping subtree containing (T0187)I287 jump= 0.190218 -0.578228 -0.752154 -0.252456 -117.357 181.435 -344.989 # generation 132: best score out of 40: T0187.try1-al10 75.6791 cost/residue, 243 clashes 0.0175956 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 394 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1193 ## OptSubtree 1795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= -0.846349 0.505651 0.121188 0.115429 -57.5833 224.864 -19.7202 # jumping subtree containing (T0187)T209 jump= 0.530019 0.274682 -0.526538 -0.6053 -299.074 99.9696 -225.874 # jumping subtree containing (T0187)I287 jump= 0.392642 -0.145679 0.885713 0.200303 87.5812 114.565 -398.52 # jumping subtree containing (T0187)I335 jump= 0.693257 -0.393834 0.345049 -0.495208 127.499 56.5126 -57.2821 # jumping subtree containing (T0187)V294 jump= 0.686831 0.384816 -0.607412 -0.105975 -260.534 -145.676 -251.124 # jumping subtree containing (T0187)I335 jump= -0.341325 0.455848 -0.813496 -0.117997 87.1076 102.836 -433.525 # generation 133: best score out of 40: T0187.try1-al10 75.6786 cost/residue, 243 clashes 0.0175955 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 399 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1194 ## OptSubtree 1817 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= 0.458076 0.363522 0.766066 -0.266761 28.5476 -170.804 -380.099 # jumping subtree containing (T0187)T209 jump= -0.178156 -0.463086 0.243051 -0.833509 138.136 -87.5316 -102.534 # jumping subtree containing (T0187)V294 jump= 0.10285 0.183055 0.201807 0.956654 23.7048 204.633 -37.7552 # jumping subtree containing (T0187)C346 jump= 0.996517 -0.0741934 0.00446414 -0.0378055 -16.2906 30.1146 -16.1915 # jumping subtree containing (T0187)I335 jump= 0.554432 -0.614748 -0.118939 0.548218 -208.09 192.003 -164.113 # jumping subtree containing (T0187)I335 jump= 0.79752 0.340191 -0.293914 -0.402301 -207.38 -92.2387 -83.486 # jumping subtree containing (T0187)I287 jump= 0.570207 -0.0361319 0.367417 0.733868 65.0829 206.154 -108.683 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.335402 0.395653 0.62146 -0.587156 -107.915 -226.227 -290.929 # generation 134: best score out of 40: T0187.try1-al10 75.6782 cost/residue, 243 clashes 0.0175956 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 401 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1195 ## OptSubtree 1838 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.664919 0.487623 0.39515 -0.404923 -222.617 118.716 -152.031 # jumping subtree containing (T0187)I335 jump= 0.987125 -0.0999326 -0.0529296 -0.11312 -32.9744 31.5338 -20.5903 # jumping subtree containing (T0187)Q327 jump= 0.383458 0.150021 -0.084197 -0.907394 -170.708 2.48461 -14.519 # jumping subtree containing (T0187)R325 jump= -0.383379 0.243798 -0.866969 -0.204813 54.2097 110.223 -441.188 # jumping subtree containing (T0187)V294 jump= 0.385469 0.399303 0.711835 0.430419 150.393 157.448 -356.224 # jumping subtree containing (T0187)I287 jump= -0.0233029 -0.610198 -0.462377 0.642902 -282.335 -91.5839 -313.393 # jumping subtree containing (T0187)V294 jump= -0.98196 0.0727935 -0.0936267 0.147273 64.1174 16.2979 -9.71712 # jumping subtree containing (T0187)E226 jump= -0.507007 0.430676 0.362269 -0.652857 -255.607 58.0766 -109.483 # generation 135: best score out of 40: T0187.try1-al10 75.6782 cost/residue, 243 clashes 0.0175956 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 406 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1195 ## OptSubtree 1857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= -0.998746 0.0167357 -0.0335724 -0.0331496 31.993 0.755983 -23.6696 # jumping subtree containing (T0187)K259 jump= 0.912248 -0.13375 0.349897 -0.165788 156.19 9.80411 -100.163 # jumping subtree containing (T0187)I335 jump= -0.0169203 -0.460401 0.143957 -0.875797 150.293 -46.0336 -80.0972 # jumping subtree containing (T0187)I335 jump= 0.919043 0.11962 -0.250532 0.279793 -58.0154 -42.6138 -23.197 # jumping subtree containing (T0187)I335 jump= 0.275828 -0.191814 0.826429 -0.451819 101.466 -156.659 -364.081 # jumping subtree containing (T0187)S241 jump= 0.798302 -0.45334 -0.209122 -0.336845 -46.9799 250.182 -78.0513 # jumping subtree containing (T0187)Q327 jump= -0.905638 0.27545 0.0369928 -0.320279 -81.5168 149.761 -25.3836 # jumping subtree containing (T0187)V294 jump= 0.30044 0.79402 0.454593 0.269469 141.555 36.5734 -434.696 # jumping subtree containing (T0187)N268 jump= -0.374388 -0.0614821 0.918285 -0.113162 -188.949 -67.0863 -370.893 # Removing break moved up 3 to before 61 # generation 136: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 410 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 1876 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.317075 -0.403022 0.553216 0.656497 -92.922 234.835 -272.226 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.965231 -0.148157 -0.184838 0.110516 85.125 -96.932 -36.8309 # jumping subtree containing (T0187)R325 jump= -0.277695 -0.658047 -0.551056 -0.431506 119.711 116.059 -354.5 # jumping subtree containing (T0187)I335 jump= -0.421155 -0.354762 -0.515714 0.656363 -159.999 -176.374 -199.11 # jumping subtree containing (T0187)N268 jump= -0.837663 -0.19195 -0.290521 0.420802 29.0864 -152.284 -65.9814 # jumping subtree containing (T0187)I335 jump= -0.566969 -0.0806979 -0.819046 -0.0345961 167.965 19.8788 -347.147 # jumping subtree containing (T0187)I335 jump= -0.959236 0.178594 -0.0337741 0.216401 32.2021 61.9924 -25.8863 # jumping subtree containing (T0187)Q327 jump= -0.38026 0.043804 0.44411 -0.810092 -183.373 -96.8329 -52.8241 # jumping subtree containing (T0187)Q327 jump= -0.538169 0.668594 -0.410174 0.308404 168.21 68.9392 -282.027 # jumping subtree containing (T0187)I287 jump= 0.99968 -0.0212328 0.0132636 -0.00350276 1.67731 -12.8905 19.0118 # jumping subtree containing (T0187)I335 jump= 0.921311 0.266038 0.25339 -0.127294 78.8994 -105.415 -87.449 # jumping subtree containing (T0187)S241 jump= -0.999918 0.0127505 0.000863958 0.000812288 2.35036 17.6542 24.6516 # generation 137: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 413 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 1897 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.750097 0.582041 -0.159623 0.270375 139.012 227.519 -134.592 # jumping subtree containing (T0187)I287 jump= -0.994743 0.0777795 -0.0659548 -0.00926991 16.9849 60.0712 -10.4644 # jumping subtree containing (T0187)I335 jump= 0.123506 0.0186435 0.464249 0.876853 -15.1613 246.278 -138.929 # jumping subtree containing (T0187)H239 jump= 0.358298 0.368879 0.807554 -0.288804 -29.0343 -122.353 -393.026 # jumping subtree containing (T0187)E223 jump= -0.850325 -0.460345 -0.210537 -0.14389 116.292 -169.527 -158.954 # jumping subtree containing (T0187)V317 jump= -0.967734 0.00849834 0.0501943 -0.246777 -8.91842 23.8631 32.5004 # jumping subtree containing (T0187)N268 jump= -0.951759 0.191108 -0.178156 0.160914 70.7054 84.4644 -12.0106 # jumping subtree containing (T0187)Q327 jump= -0.997354 0.0188372 0.00730719 0.069827 1.92459 -2.39678 -18.8843 # generation 138: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 414 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 1920 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.201294 0.522447 0.222622 0.798104 235.987 108.693 -152.739 # jumping subtree containing (T0187)N268 jump= 0.468139 0.841319 0.230693 -0.140742 -20.4525 -169.388 -448.32 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.633865 0.739427 -0.169203 -0.151107 -4.32573 311.227 -296.262 # jumping subtree containing (T0187)G201 jump= 0.918474 0.0219048 0.236467 -0.316241 96.7234 -37.4276 -29.2977 # jumping subtree containing (T0187)N268 jump= -0.781547 0.247537 0.512989 0.254465 -204.947 142.729 -152.869 # jumping subtree containing (T0187)S241 jump= 0.995962 0.0427384 0.0630327 -0.0475382 10.7326 -31.4426 -16.2254 # jumping subtree containing (T0187)V294 jump= 0.987328 -0.154968 -0.0202432 0.0275453 -28.2051 94.4921 8.68694 # jumping subtree containing (T0187)V294 jump= 0.621519 -0.600145 0.473276 -0.1719 186.235 146.922 -285.399 # jumping subtree containing (T0187)Q327 jump= -0.545363 0.0628463 0.757982 0.352269 -268.399 136.016 -255.856 # jumping subtree containing (T0187)Q327 jump= -0.887007 0.152221 0.0822117 -0.428121 -51.873 89.1621 18.6427 # generation 139: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 417 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 1944 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.919922 -0.242334 0.0249647 -0.307237 46.8191 -110.371 -28.732 # jumping subtree containing (T0187)L214 jump= -0.996003 0.0445578 0.0357971 0.0686317 -36.6068 28.1726 -20.5676 # jumping subtree containing (T0187)I335 jump= -0.631948 -0.651725 0.069245 0.413645 -184.477 -207.598 -273.612 # jumping subtree containing (T0187)I335 jump= 0.365126 -0.758573 -0.15444 0.517106 -253.232 165.615 -303.814 # jumping subtree containing (T0187)S241 jump= -0.0305218 -0.158174 -0.921923 0.352289 -94.411 -181.945 -484.153 # jumping subtree containing (T0187)G324 jump= -0.987328 -0.12469 -0.0285577 0.0939183 17.4405 -76.3977 -24.2047 # jumping subtree containing (T0187)I335 jump= -0.999758 -0.00360842 -0.0173536 -0.0130246 0.749418 16.2138 9.12048 # jumping subtree containing (T0187)I335 jump= 0.149792 0.0598683 -0.638319 -0.75268 -118.214 297.527 -242.849 # jumping subtree containing (T0187)A231 jump= -0.369429 0.318225 0.658056 -0.573775 -257.886 -104.379 -238.78 # generation 140: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 423 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 1962 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.882143 -0.339883 0.117908 -0.303976 0.310617 -169.356 -55.2208 # jumping subtree containing (T0187)I335 jump= 0.446541 0.176428 -0.289821 -0.827936 -187.999 94.9026 -79.9763 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)S241 jump= 0.965219 -0.247098 -0.0854081 8.45669e-05 -46.2676 147.62 -3.36906 # jumping subtree containing (T0187)I335 jump= 0.388616 -0.860595 0.313228 -0.101202 109.466 175.691 -401.218 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.998652 0.0324523 0.0387957 -0.0116886 26.7738 -21.3407 5.03383 # jumping subtree containing (T0187)N268 jump= 0.949837 0.253827 0.132653 0.125634 111.032 -96.2334 -58.7081 # jumping subtree containing (T0187)V294 jump= 0.9278 0.336802 0.0416618 0.154974 60.748 -141.599 -115.852 # jumping subtree containing (T0187)I335 jump= -0.400127 0.391412 -0.753216 -0.345486 68.1058 224.326 -424.768 # jumping subtree containing (T0187)I335 jump= -0.491884 0.415622 -0.687391 0.335859 238.428 -26.1877 -312.897 # jumping subtree containing (T0187)I335 jump= 0.999438 -0.0312399 0.0116522 -0.00340371 23.3118 23.4239 9.11273 # jumping subtree containing (T0187)L214 jump= 0.39619 -0.441675 -0.691481 0.412081 -300.475 -24.6712 -310.742 # jumping subtree containing (T0187)H239 jump= 0.0526147 -0.564927 0.345172 0.747627 -262.663 245.002 -271.92 # generation 141: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 434 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 1975 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= -0.679153 -0.533088 0.325193 0.385768 -245.506 -106.306 -228.442 # jumping subtree containing (T0187)I335 jump= 0.993842 -0.0674516 -0.0776824 -0.0411645 -36.7372 24.4524 21.7792 # jumping subtree containing (T0187)N268 jump= 0.405857 -0.199215 0.624304 0.637055 33.4119 296.859 -305.114 # jumping subtree containing (T0187)Q327 jump= 0.86139 -0.0314676 0.0195322 -0.506592 -9.45807 26.4532 21.305 # jumping subtree containing (T0187)S241 jump= -0.0335588 -0.262 -0.94585 -0.188671 -8.51672 118.907 -565.638 # jumping subtree containing (T0187)Q252 jump= 0.632314 -0.315179 -0.315206 0.63363 -215.81 54.2393 -57.8319 # jumping subtree containing (T0187)N268 jump= 0.906552 0.229946 -0.123294 -0.331794 -127.85 -102.924 -35.9242 # jumping subtree containing (T0187)Q327 jump= 0.96941 -0.0249494 0.192031 0.150819 101.399 21.4857 -18.5631 # jumping subtree containing (T0187)I335 jump= 0.74007 0.105561 0.567649 -0.344859 176.464 -124.944 -178.726 # generation 142: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 443 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 1990 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.196075 -0.952598 0.190486 0.133513 -99.4921 -28.8232 -523.501 # jumping subtree containing (T0187)V317 jump= 0.827486 -0.279133 -0.409809 0.263455 -233.148 101.318 -101.76 # jumping subtree containing (T0187)I287 jump= 0.976846 0.035903 0.210888 0.00309703 116.107 -3.63947 -41.4827 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)V317 jump= -0.889627 -0.0401737 -0.370807 0.263539 163.66 -78.5043 -53.6861 # jumping subtree containing (T0187)I335 jump= -0.159428 0.728694 -0.665182 0.0334635 81.8814 76.6276 -517.592 # jumping subtree containing (T0187)S241 jump= 0.715899 0.120524 -0.672516 -0.143821 -320.53 -7.77157 -236.816 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)H239 jump= 0.922293 -0.117548 0.177828 0.322389 88.1098 109.904 -30.3395 # jumping subtree containing (T0187)N268 jump= 0.309591 -0.294932 0.891731 0.148269 78.3729 117.644 -548.36 # jumping subtree containing (T0187)S241 jump= 0.988041 0.146163 0.0489803 0.00351436 43.3899 -91.0772 -36.9086 # generation 143: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 450 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2007 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H246 jump= -0.360849 0.0929644 0.251311 -0.893302 -113.607 -8.87446 6.66975 # jumping subtree containing (T0187)K259 jump= 0.203394 -0.326158 -0.906438 -0.174989 -157.307 171.822 -512.694 # jumping subtree containing (T0187)Q327 jump= -0.992476 -0.105291 -0.0572068 -0.0251627 15.1456 -28.7196 -14.0234 # jumping subtree containing (T0187)G201 jump= 0.00712342 0.0694944 0.909886 -0.408934 -74.135 -166.382 -431.74 # jumping subtree containing (T0187)I335 jump= 0.421424 0.0997485 0.415231 0.800022 120.835 203.988 -108.084 # jumping subtree containing (T0187)K259 jump= 0.648402 -0.295203 -0.670861 -0.205852 -269.74 185.844 -279.669 # Removing break moved up 3 to before 61 # generation 144: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 454 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2027 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= 0.999463 0.0249385 -0.0178003 -0.0116038 -8.84034 0.737436 1.03458 # jumping subtree containing (T0187)I335 jump= -0.972454 -0.186193 -0.107313 0.0902743 23.0871 -114.157 -54.5277 # jumping subtree containing (T0187)Q327 jump= -0.151495 0.760299 0.628481 -0.0632944 -98.2213 106.954 -485.936 # jumping subtree containing (T0187)V294 jump= -0.330651 0.731901 -0.581693 0.128934 167.407 115.748 -450.264 # Removing break moved up 3 to before 61 # generation 145: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 464 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2041 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)D298 jump= -0.543936 -0.298908 -0.228354 0.750095 -121.66 -154.439 -87.8446 # jumping subtree containing (T0187)I335 jump= 0.526525 0.278134 0.693066 -0.406291 90.666 -217.996 -311.459 # jumping subtree containing (T0187)G201 jump= 0.187868 -0.700593 -0.378471 0.575008 -290.942 -1.89956 -347.381 # jumping subtree containing (T0187)L214 jump= -0.846778 -0.00881411 -0.0392531 -0.530423 53.8481 31.8052 -13.796 # jumping subtree containing (T0187)I335 jump= 0.928855 -0.351495 0.0908824 0.0736205 29.1177 205.847 -57.1772 # jumping subtree containing (T0187)V294 jump= 0.999843 -0.00367409 -0.0112501 0.0131902 -23.8971 -8.14766 21.0244 # generation 146: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 476 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2053 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= 0.728296 0.271467 0.161611 -0.60809 -98.0788 -128.87 -66.9805 # jumping subtree containing (T0187)V294 jump= 0.989146 -0.0430029 -0.114725 0.0811054 -33.5215 24.0789 -1.69954 # jumping subtree containing (T0187)H239 jump= 0.216705 -0.847173 -0.0309447 0.484127 -262.878 180.913 -415.76 # jumping subtree containing (T0187)I335 jump= -0.425756 0.836062 -0.0449255 0.343094 158.652 197.73 -353.581 # jumping subtree containing (T0187)L261 jump= 0.63297 0.305459 -0.659604 -0.266394 -306.301 -22.1498 -271.304 # jumping subtree containing (T0187)V294 jump= 0.99884 -0.00575446 0.0442572 0.0180732 38.3538 -5.01048 -5.58845 # jumping subtree containing (T0187)H239 jump= -0.999996 -0.00106947 -0.00122581 0.00225716 -4.58016 -22.2558 -11.9799 # jumping subtree containing (T0187)T209 jump= 0.0890857 -0.178701 -0.936035 0.289774 -152.828 -125.259 -501.583 # jumping subtree containing (T0187)N268 jump= 0.994675 0.0678132 0.0286837 0.0721126 2.34764 -24.9136 -18.5265 # jumping subtree containing (T0187)S241 jump= 0.999953 0.00395465 0.00798428 -0.00376439 -12.3195 -13.9099 -1.32714 # jumping subtree containing (T0187)V294 jump= 0.909038 -0.0265386 -0.0643509 -0.410858 -78.6863 19.2109 -19.0154 # jumping subtree containing (T0187)I335 jump= -0.823847 0.480359 -0.0702997 -0.292557 -16.7596 246.96 -121.968 # generation 147: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 483 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2070 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R325 jump= -0.6377 0.294748 0.710702 0.0369499 -246.797 139.139 -276.402 # jumping subtree containing (T0187)I287 jump= 0.636431 -0.720015 0.134574 -0.241711 137.775 309.521 -231.282 # jumping subtree containing (T0187)Q327 jump= 0.587552 0.0829835 -0.431328 -0.679597 -204.107 152.444 -149.155 # jumping subtree containing (T0187)G342 jump= -0.265346 -0.793919 0.462359 -0.292416 60.1675 -146.918 -411.633 # jumping subtree containing (T0187)K292 jump= -0.999324 0.0319624 0.00523226 -0.017378 9.66733 41.2783 13.9743 # jumping subtree containing (T0187)I335 jump= 0.91571 -0.360501 0.159504 -0.0779298 81.0487 162.93 -83.637 # generation 148: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 490 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2087 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.718921 -0.0496101 -0.0894616 -0.687523 -51.8861 60.997 -13.2568 # jumping subtree containing (T0187)I335 jump= 0.897635 -0.337302 -0.250973 0.132259 -136.404 156.387 -51.549 # jumping subtree containing (T0187)G201 jump= 0.941768 -0.274026 0.191419 0.0366235 95.4476 125.885 -42.5319 # jumping subtree containing (T0187)V294 jump= 0.238123 0.344304 -0.778449 0.467728 -3.87672 -215.606 -356.919 # jumping subtree containing (T0187)V317 jump= -0.107457 0.950893 -0.215583 -0.194367 -95.5561 155.357 -504.225 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.200804 0.243425 -0.855518 -0.410501 -168.656 138.199 -440.699 # generation 149: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 497 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.383589 -0.769797 0.215891 0.462237 -238.19 -61.2194 -351.017 # jumping subtree containing (T0187)I287 jump= 0.381535 0.632236 0.567222 -0.364646 -66.3134 -160.241 -397.979 # jumping subtree containing (T0187)L214 jump= -0.333069 -0.67371 0.633998 -0.182282 -20.293 -165.406 -462.494 # jumping subtree containing (T0187)I335 jump= -0.173622 0.686788 -0.147728 0.690185 242.844 64.8486 -253.788 # jumping subtree containing (T0187)I335 jump= -0.279662 -0.823933 0.457272 0.183919 -120.556 -41.6297 -502.302 # jumping subtree containing (T0187)V294 jump= -0.934195 0.323238 0.0235568 0.149135 -3.87641 190.485 -7.46421 # jumping subtree containing (T0187)Q327 jump= 0.861179 -0.277344 0.0931358 0.415665 9.72922 149.231 -38.8598 # generation 150: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 508 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2117 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.561546 0.697834 0.378227 0.233746 177.376 -120.538 -353.349 # jumping subtree containing (T0187)I335 jump= -0.795421 -0.358113 -0.405593 0.273048 106.384 -198.482 -176.791 # jumping subtree containing (T0187)I335 jump= 0.963387 0.267849 0.0117464 0.00205198 15.4563 -158.971 -56.4935 # jumping subtree containing (T0187)V294 jump= -0.715261 0.169728 0.149411 -0.661265 -81.29 64.5443 -3.1758 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)V317 jump= -0.904477 0.217951 0.0708657 -0.359717 -75.5914 115.755 -24.6573 # jumping subtree containing (T0187)I335 jump= 0.999275 -0.0362454 -0.00810081 -0.0084099 -4.39811 -3.32937 6.99299 # jumping subtree containing (T0187)I287 jump= -0.721384 0.377158 0.557539 0.162812 -225.261 218.905 -214.137 # jumping subtree containing (T0187)I287 jump= -0.47107 -0.63899 0.600065 -0.0985235 -83.54 -165.214 -427.624 # generation 151: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 517 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2132 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.304878 -0.567345 0.67922 0.351893 -235.275 45.8842 -454.062 # jumping subtree containing (T0187)V243 jump= 0.926977 -0.0871022 0.337994 0.137432 190.519 74.9631 -82.9364 # jumping subtree containing (T0187)S241 jump= -0.330157 0.449858 0.0707332 -0.826814 -234.964 148.878 -122.71 # jumping subtree containing (T0187)V294 jump= 0.321768 -0.38777 0.719448 -0.478011 219.547 -79.9473 -329.085 # jumping subtree containing (T0187)I335 jump= 0.89333 -0.170512 0.398898 0.117335 160.65 95.2489 -110.215 # jumping subtree containing (T0187)I335 jump= -0.994571 -0.0584636 0.0633149 0.0583262 -29.2451 -20.9603 -18.9912 # jumping subtree containing (T0187)Q252 jump= 0.0208412 -0.36857 0.670317 0.643736 -154.034 250.814 -366.956 # jumping subtree containing (T0187)I335 jump= 0.491428 0.133052 -0.126075 -0.851411 -121.973 41.9027 -22.6193 # generation 152: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 526 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2147 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G342 jump= -0.400879 -0.64826 -0.34009 0.550812 -176.438 -209.298 -331.061 # jumping subtree containing (T0187)V294 jump= 0.940973 -0.305322 0.0511711 -0.136857 27.517 178.632 -24.8374 # jumping subtree containing (T0187)I335 jump= -0.62468 -0.0552808 0.722026 -0.292227 -230.919 -103.684 -237.913 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)N268 jump= -0.508298 0.260454 0.815877 0.0902267 -277.054 154.123 -397.048 # jumping subtree containing (T0187)I287 jump= 0.975166 0.0299269 0.0565309 0.212036 43.461 -13.2678 -24.9448 # jumping subtree containing (T0187)G201 jump= -0.849363 0.459113 0.220333 0.138747 -90.1336 227.334 -113.589 # jumping subtree containing (T0187)S241 jump= -0.467695 0.299505 0.658271 0.508171 -138.237 295.559 -285.058 # jumping subtree containing (T0187)N268 jump= -0.450738 0.199479 -0.655653 -0.571982 97.1202 302.816 -321.831 # jumping subtree containing (T0187)K259 jump= 0.918123 -0.126163 0.346228 0.145804 182.891 86.6551 -115.643 # generation 153: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 536 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2161 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)N268 jump= 0.159561 0.319638 0.544967 -0.75854 -174.894 -221.987 -236.804 # jumping subtree containing (T0187)V294 jump= 0.996665 -0.0270289 -0.0652065 -0.0409504 -46.9904 3.20519 -12.3881 # jumping subtree containing (T0187)V294 jump= -0.996394 -0.00132257 0.0150186 0.0835024 -10.3923 -22.0253 14.7434 # jumping subtree containing (T0187)N268 jump= -0.107597 -0.311999 -0.927747 -0.174257 29.874 112.744 -552.755 # jumping subtree containing (T0187)I335 jump= 0.989725 0.102438 0.0893323 -0.044396 37.403 -47.5115 -19.4199 # jumping subtree containing (T0187)N268 jump= 0.984438 0.061834 0.0977428 0.132308 85.3885 -30.267 -26.8035 # jumping subtree containing (T0187)S241 jump= -0.971067 -0.00155375 0.236609 -0.0323014 -142.951 -20.1153 -33.5705 # generation 154: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 541 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= -0.68411 -0.286471 0.294212 0.6028 -249.526 43.6626 -115.822 # jumping subtree containing (T0187)C346 jump= 0.161217 -0.491607 0.0239056 -0.85543 174.828 109.109 -98.6529 # jumping subtree containing (T0187)Q327 jump= -0.642655 -0.314014 -0.644122 0.271101 150.669 -184.421 -262.244 # jumping subtree containing (T0187)I335 jump= -0.493865 0.777908 0.244799 -0.30171 -199.146 232.368 -335.141 # Removing break moved up 3 to before 61 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.958501 0.164233 -0.011579 0.232742 30.5053 -56.3511 -7.18921 # jumping subtree containing (T0187)S241 jump= 0.998967 -0.0192924 -0.0209214 0.0354226 -16.085 14.8705 -9.70606 # jumping subtree containing (T0187)I335 jump= 0.750998 0.326409 0.573772 0.0156591 211.991 -116.087 -267.522 # generation 155: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 552 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2193 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= -0.601956 -0.312229 0.67666 0.286868 -293.884 18.0441 -325.038 # jumping subtree containing (T0187)I335 jump= -0.988616 0.126768 0.0746112 -0.031648 -38.077 50.0668 22.008 # jumping subtree containing (T0187)I335 jump= 0.038285 -0.984034 -0.0456298 0.167719 -104.905 73.855 -532.713 # jumping subtree containing (T0187)K259 jump= 0.994901 0.0481964 -0.0719923 0.0516326 -42.7462 -7.49206 -23.2757 # jumping subtree containing (T0187)K259 jump= 0.963799 -0.0102438 -0.223033 0.145752 -92.2798 9.02663 6.50535 # jumping subtree containing (T0187)G310 jump= 0.584183 -0.612544 0.402401 0.348703 12.7442 292.694 -295.66 # jumping subtree containing (T0187)Q327 jump= -0.104376 -0.865245 0.449029 0.197054 -90.9499 30.2012 -531.876 # jumping subtree containing (T0187)I335 jump= 0.602737 -0.135218 -0.0821657 0.782095 -87.099 73.401 10.351 # jumping subtree containing (T0187)V294 jump= 0.952261 -0.0581744 -0.248783 0.167095 -135.12 25.5702 -38.4762 # generation 156: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 558 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2211 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.992072 -0.0902849 -0.0437088 -0.0756997 -14.3837 54.1819 23.9918 # jumping subtree containing (T0187)Q327 jump= 0.640637 -0.736117 0.18668 -0.113427 107.016 292.532 -275.477 # jumping subtree containing (T0187)E328 jump= 0.343763 0.691474 0.0258637 -0.63484 -260.142 -104.265 -267.396 # jumping subtree containing (T0187)V294 jump= -0.377687 0.874125 0.286785 0.104941 -53.149 292.291 -419.189 # jumping subtree containing (T0187)I335 jump= -0.311717 -0.263341 -0.609533 0.679671 -67.592 -221.246 -231.324 # jumping subtree containing (T0187)I335 jump= -0.150849 0.764103 -0.518858 -0.352389 -107.11 200.111 -487.395 # jumping subtree containing (T0187)I335 jump= 0.82319 -0.0819077 0.561762 -0.00853984 242.869 28.3507 -211.843 # jumping subtree containing (T0187)K259 jump= -0.937871 0.155021 -0.134876 0.279599 70.6965 24.9351 -10.8013 # jumping subtree containing (T0187)G349 jump= 0.409084 0.675299 -0.533011 -0.304172 -206.632 -15.9053 -419.846 # jumping subtree containing (T0187)I287 jump= 0.954332 -0.0193631 -0.0276816 -0.296832 -56.9312 18.3681 -6.0098 # jumping subtree containing (T0187)V294 jump= -0.0868851 0.297214 0.365933 0.877615 81.9264 246.44 -120.95 # jumping subtree containing (T0187)S241 jump= 0.840159 -0.0129236 -0.0792912 0.536357 -22.5789 33.9452 29.235 # generation 157: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 569 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2224 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= -0.300863 0.192888 0.297279 -0.885382 -169.664 11.6617 -48.7559 # jumping subtree containing (T0187)A213 jump= -0.0336604 -0.440947 0.462417 0.768507 -241.486 230.667 -268.976 # jumping subtree containing (T0187)V294 jump= 0.476398 0.759434 0.297227 -0.328573 -84.3685 -168.55 -377.15 # jumping subtree containing (T0187)S241 jump= -0.775847 -0.59478 0.109901 0.179499 -116.742 -253.647 -266.139 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.631992 -0.235878 0.737196 -0.0385972 -258.141 -85.3925 -301.998 # jumping subtree containing (T0187)K259 jump= 0.564102 -0.182634 -0.71139 0.377304 -311.354 -67.5679 -237.133 # jumping subtree containing (T0187)R325 jump= -0.889827 -0.259397 -0.124287 0.354222 -24.3656 -153.743 -80.8158 # jumping subtree containing (T0187)H239 jump= -0.870211 -0.349711 -0.340782 0.0655992 134.763 -171.023 -206.232 # jumping subtree containing (T0187)F286 jump= 0.97433 -0.0543543 0.198224 -0.091842 90.4042 -7.11704 -29.7615 # Removing break moved up 3 to before 61 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.100397 0.00329162 0.550817 0.828559 -99.2294 276.575 -178.691 # generation 158: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 577 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2240 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L247 jump= -0.933082 0.269762 -0.237054 0.0197848 112.792 146.297 -42.9195 # jumping subtree containing (T0187)I335 jump= -0.980068 -0.0963728 0.0574238 0.163956 -44.6489 -69.8865 -13.3739 # jumping subtree containing (T0187)V317 jump= 0.128514 0.345853 -0.782849 0.501016 58.1249 -206.73 -388.552 # jumping subtree containing (T0187)I335 jump= 0.977957 -0.208733 -0.00242496 0.00496876 -4.63257 113.336 16.3822 # jumping subtree containing (T0187)N268 jump= -0.896379 -0.0255328 -0.333491 0.290923 162.549 -81.786 -74.0909 # jumping subtree containing (T0187)I335 jump= -0.147879 0.641409 0.258197 -0.70715 -282.613 11.696 -257.287 # jumping subtree containing (T0187)I335 jump= -0.677533 -0.671253 0.102986 0.282424 -155.281 -203.534 -251.657 # jumping subtree containing (T0187)I335 jump= 0.269738 -0.546518 0.616204 0.498851 -46.0725 285.475 -378.942 # jumping subtree containing (T0187)I271 jump= 0.990965 0.0911858 -0.0664126 0.0725422 -29.1543 -48.5231 -30.3107 # jumping subtree containing (T0187)V294 jump= -0.408201 0.0702423 -0.899722 0.137616 187.556 -69.9206 -414.116 # Removing break moved up 3 to before 61 # generation 159: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 588 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2253 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.935439 0.326013 -0.0474879 -0.12812 -8.03279 199.47 -51.9096 # jumping subtree containing (T0187)Q327 jump= 0.206614 -0.476752 -0.665955 0.535278 -216.016 -87.2185 -323.685 # jumping subtree containing (T0187)A333 jump= 0.729259 0.568902 0.376369 -0.05365 125.211 -191.399 -290.201 # jumping subtree containing (T0187)K259 jump= 0.192918 0.761534 -0.588675 0.190553 4.90968 -126.051 -482.833 # jumping subtree containing (T0187)G249 jump= -0.012397 0.306663 0.526146 -0.793079 -200.727 -156.84 -187.961 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.0181341 0.628513 0.751385 0.20016 1.54291 153.536 -520.338 # jumping subtree containing (T0187)S241 jump= 0.441865 -0.301967 -0.839146 0.0969807 -299.931 45.0859 -422.644 # jumping subtree containing (T0187)L214 jump= -0.888667 -0.381148 -0.0396396 -0.251843 88.0275 -167.747 -120.874 # generation 160: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 592 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2273 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= 0.863017 0.0885812 -0.429217 0.251252 -167.394 -90.6177 -99.4368 # jumping subtree containing (T0187)V294 jump= -0.24283 0.761692 -0.583474 0.142888 155.189 98.5728 -485.817 # jumping subtree containing (T0187)T209 jump= 0.55245 0.398607 -0.728808 0.0689291 -221.322 -138.326 -333.906 # jumping subtree containing (T0187)I287 jump= -0.938768 0.208849 -0.138335 -0.236557 62.0805 159.689 -13.6861 # jumping subtree containing (T0187)H239 jump= 0.771742 -0.324302 -0.338974 0.429348 -206.315 113.449 -91.4888 # jumping subtree containing (T0187)N268 jump= 0.28582 -0.697208 -0.569368 0.328676 -290.287 96.2902 -424.299 # jumping subtree containing (T0187)K259 jump= 0.994003 0.0794455 0.0634171 -0.0403101 28.6212 -30.5737 2.91054 # generation 161: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 600 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2289 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P205 jump= -0.661197 0.197735 -0.707801 0.150786 263.541 -17.0058 -314.075 # jumping subtree containing (T0187)I335 jump= 0.938495 0.0476546 0.0918355 0.329428 77.9082 -11.23 -13.3826 # jumping subtree containing (T0187)C346 jump= 0.110387 -0.465531 -0.228492 0.847872 -256.039 -17.6087 -139.415 # jumping subtree containing (T0187)S241 jump= -0.714866 -0.193465 -0.614192 0.27259 174.607 -158.391 -241.5 # jumping subtree containing (T0187)N268 jump= -0.997924 -0.0107408 -0.018889 -0.0606191 4.69806 -18.3873 -18.1137 # Removing break moved up 3 to before 61 # generation 162: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 606 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2307 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.963579 -0.0161358 0.160084 -0.213607 -73.5627 9.67459 16.2955 # jumping subtree containing (T0187)V294 jump= 0.91664 0.015663 -0.380419 -0.121686 -203.55 -14.2476 -78.242 # jumping subtree containing (T0187)V294 jump= -0.5371 0.756038 -0.0209386 -0.373487 -135.183 297.76 -296.36 # jumping subtree containing (T0187)L214 jump= 0.666454 -0.563654 -0.283772 -0.396996 -8.89637 307.615 -202.123 # jumping subtree containing (T0187)I335 jump= -0.99253 0.0301317 -0.108432 -0.0470965 33.9727 15.8115 5.65874 # jumping subtree containing (T0187)I335 jump= 0.691122 -0.0134544 -0.625681 -0.361516 -248.828 110.694 -196.285 # jumping subtree containing (T0187)T209 jump= -0.568454 0.619896 -0.137974 -0.523022 -144.959 293.343 -231.857 # jumping subtree containing (T0187)N268 jump= -0.606729 0.508733 -0.606293 0.0740164 195.927 141.863 -366.994 # jumping subtree containing (T0187)I335 jump= 0.0256597 -0.213591 0.53551 -0.81667 52.2917 -175.951 -132.931 # jumping subtree containing (T0187)I335 jump= 0.993054 -0.0132746 -0.10558 -0.0502004 -40.6173 19.6808 -12.3716 # jumping subtree containing (T0187)S241 jump= 0.726549 -0.207541 -0.202641 0.622889 -132.978 86.2289 -0.514729 # jumping subtree containing (T0187)R325 jump= -0.998767 -0.0251368 0.0322653 0.0281188 -18.199 -24.2844 19.3731 # jumping subtree containing (T0187)I335 jump= 0.788446 0.489205 0.0153963 0.372553 102.897 -187.616 -139.34 # jumping subtree containing (T0187)V294 jump= 0.253929 0.711525 -0.406007 0.514208 175.409 -148.161 -352.847 # generation 163: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 611 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2326 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= 0.984625 0.14138 -0.0785559 0.0659947 -35.9986 -69.6226 -23.3307 # jumping subtree containing (T0187)I335 jump= 0.871795 0.0489389 -0.140893 -0.466614 -113.132 -14.4744 -15.4507 # jumping subtree containing (T0187)D256 jump= 0.294242 -0.834723 -0.459625 -0.0735077 -93.6422 234.771 -451.225 # jumping subtree containing (T0187)I335 jump= -0.698085 0.412888 -0.182697 0.555718 154.615 101.307 -56.4562 # jumping subtree containing (T0187)K259 jump= -0.814784 -0.211939 0.441515 -0.310278 -163.275 -122.007 -103.765 # jumping subtree containing (T0187)V294 jump= -0.897472 -0.306525 0.115465 -0.295388 21.8 -141.838 -87.8319 # jumping subtree containing (T0187)L214 jump= -0.961268 0.0452481 -0.260516 -0.0777726 143.755 40.9325 -29.6388 # generation 164: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 621 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2340 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= 0.193567 0.231384 -0.856359 0.419097 -41.0618 -210.234 -395.331 # jumping subtree containing (T0187)L214 jump= -0.999465 0.0253179 -0.0147211 0.0145277 6.53157 29.0957 -12.0788 # jumping subtree containing (T0187)I335 jump= 0.641217 -0.290225 0.696383 0.140216 195.518 156.647 -325.048 # jumping subtree containing (T0187)V317 jump= -0.000351359 -0.588965 -0.489481 0.643062 -216.015 -98.4882 -272.153 # jumping subtree containing (T0187)I287 jump= 0.571802 0.437998 0.484431 -0.496515 -45.2843 -204.133 -239.24 # jumping subtree containing (T0187)I335 jump= 0.180841 0.236873 0.408383 0.862792 113.955 245.488 -147.915 # jumping subtree containing (T0187)I335 jump= -0.987225 -0.111094 -0.0957001 0.0623479 46.393 -39.3189 -35.2892 # generation 165: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 630 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2355 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.614447 -0.153784 -0.354005 -0.688103 -96.5072 212.234 -83.8065 # jumping subtree containing (T0187)I335 jump= 0.692689 -0.416283 -0.359021 0.466898 -234.397 109.219 -122.402 # jumping subtree containing (T0187)V317 jump= 0.953704 0.237775 0.070263 -0.170217 -12.7846 -116.728 -40.434 # jumping subtree containing (T0187)I335 jump= -0.326489 0.1266 -0.912407 0.211872 161.182 -75.6957 -456.988 # jumping subtree containing (T0187)L214 jump= 0.844855 -0.331703 -0.403685 -0.115028 -191.279 181.061 -135.275 # jumping subtree containing (T0187)R325 jump= 0.499872 -0.742495 0.291838 0.337135 -27.1192 281.28 -305.682 # jumping subtree containing (T0187)V317 jump= -0.322023 0.904885 -0.0949528 -0.261665 -92.7832 228.518 -442.828 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)V317 jump= -0.73729 0.0862775 -0.640147 0.19792 275.375 -14.2579 -203.33 # jumping subtree containing (T0187)I335 jump= -0.193571 -0.0452228 -0.0960685 0.975324 -74.9708 -6.65459 13.7841 # jumping subtree containing (T0187)K259 jump= -0.2643 0.56066 0.0404978 -0.783687 -270.489 135.256 -207.071 # jumping subtree containing (T0187)K259 jump= -0.679462 -0.423337 -0.140326 -0.582603 175.324 -50.2242 -121.926 # generation 166: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 639 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2370 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.99512 0.0163301 -0.0964126 0.0131664 -43.2957 -19.3211 2.77089 # jumping subtree containing (T0187)V294 jump= 0.0567457 0.04596 0.831626 0.550514 17.7444 274.104 -405.298 # jumping subtree containing (T0187)G201 jump= 0.199743 -0.49796 0.503705 0.677067 -155.852 248.669 -300.581 # jumping subtree containing (T0187)I335 jump= 0.184436 0.946303 0.12874 0.232205 108.206 -4.74594 -482.632 # jumping subtree containing (T0187)L214 jump= 0.333927 0.487274 0.781191 -0.201982 17.0911 -154.64 -492.305 # generation 167: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 650 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2383 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)N268 jump= 0.295175 -0.482299 0.736161 -0.371922 199.316 -68.6612 -407.86 # jumping subtree containing (T0187)H239 jump= 0.0712703 0.876616 -0.0166957 0.475591 232.251 43.2073 -404.769 # jumping subtree containing (T0187)I335 jump= -0.832213 -0.179197 0.396121 0.344091 -240.254 -16.3072 -92.8087 # jumping subtree containing (T0187)I335 jump= -0.168177 0.627069 0.423864 0.631538 133.396 224.696 -287.85 # Removing break moved up 3 to before 61 # generation 168: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 657 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2400 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)K259 jump= 0.976145 -0.0810095 0.155682 0.127837 77.1734 41.7547 -19.0869 # jumping subtree containing (T0187)A333 jump= 0.998283 0.00461323 0.0412603 0.0413216 27.8892 10.6917 0.964307 # jumping subtree containing (T0187)I335 jump= 0.472369 -0.26294 0.833576 -0.113499 203.896 -0.29641 -412.53 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)A213 jump= 0.885136 0.345425 0.301709 -0.0786603 140.558 -157.421 -145.743 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)K259 jump= -0.321346 -0.797713 -0.479161 0.175487 -64.9573 -101.37 -511.479 # jumping subtree containing (T0187)I335 jump= 0.290168 0.877909 0.277313 0.261107 124.218 -31.1026 -459.316 # jumping subtree containing (T0187)N268 jump= 0.48408 -0.683702 -0.406323 -0.364856 -2.0462 324.829 -317.239 # jumping subtree containing (T0187)T209 jump= -0.92923 -0.207541 0.302462 -0.044445 -158.463 -138.548 -65.4991 # jumping subtree containing (T0187)V294 jump= 0.994131 0.0905728 -0.0446878 -0.0387809 -15.2247 -30.8101 -12.03 # jumping subtree containing (T0187)V294 jump= 0.929267 0.119672 0.0648791 0.343413 84.4721 -35.3902 -32.0719 # generation 169: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 660 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2421 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= -0.827432 0.318474 -0.329973 -0.324113 101.417 223.619 -82.2513 # jumping subtree containing (T0187)S241 jump= -0.866849 -0.120203 0.482297 -0.0389182 -224.909 -53.7831 -114.332 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.839337 0.0617828 -0.375769 0.387936 143.469 -69.5038 -59.2152 # generation 170: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 666 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2439 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.669994 0.379289 -0.63793 -0.0171079 206.843 143.546 -289.186 # jumping subtree containing (T0187)N268 jump= -0.350436 -0.041777 -0.934452 0.0474206 109.882 -39.1277 -511.592 # jumping subtree containing (T0187)Q327 jump= 0.751198 -0.0747183 0.619874 -0.214186 225.829 -37.7528 -205.511 # jumping subtree containing (T0187)R325 jump= -0.808271 -0.112138 -0.539418 -0.207728 247.877 20.8698 -189.537 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I245 jump= 0.955329 0.201854 -0.138809 0.165327 -47.6926 -100.176 -34.4873 # jumping subtree containing (T0187)I335 jump= -0.767565 -0.119377 -0.4839 -0.40303 237.504 60.3472 -170.939 # jumping subtree containing (T0187)I335 jump= 0.0713744 -0.981174 -0.16486 0.0708781 -26.5764 102.783 -530.553 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.514156 -0.748468 -0.401534 0.119204 -202.243 211.304 -349.098 # generation 171: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 679 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2450 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= -0.768942 -0.390715 0.0810738 0.499496 -168.085 -115.255 -93.7145 # jumping subtree containing (T0187)C346 jump= 0.641214 -0.309456 0.646482 0.274121 166.225 226.105 -300.931 # jumping subtree containing (T0187)R325 jump= -0.662469 0.131469 -0.726612 0.126043 235.906 8.98487 -300.305 # jumping subtree containing (T0187)Q327 jump= -0.937979 -0.264088 0.0126529 -0.22426 43.9382 -141.603 -53.8322 # jumping subtree containing (T0187)I335 jump= 0.967248 -0.0396913 -0.210943 -0.135493 -133.042 16.8057 -17.481 # jumping subtree containing (T0187)H239 jump= 0.47303 -0.467092 -0.696804 0.269316 -297.901 37.8947 -356.126 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)S241 jump= -0.959684 0.140692 0.115564 -0.214143 -77.1818 80.1146 6.51349 # jumping subtree containing (T0187)V294 jump= -0.994501 0.102816 0.00837935 -0.0180709 12.9965 36.744 3.21179 # jumping subtree containing (T0187)L214 jump= 0.943214 0.0144898 0.310529 -0.117083 127.156 -19.4161 -78.2322 # generation 172: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 685 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2468 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.5949 -0.544675 -0.473921 0.353302 -293.562 133.221 -256.701 # jumping subtree containing (T0187)I335 jump= -0.978118 -0.0957487 0.064549 -0.173065 -15.908 -48.6302 5.20365 # jumping subtree containing (T0187)I335 jump= -0.993823 -0.0282176 0.105229 -0.0211454 -73.8056 -22.607 15.127 # jumping subtree containing (T0187)L214 jump= -0.166287 0.778418 -0.235794 0.557508 240.426 16.7539 -335.861 # jumping subtree containing (T0187)I335 jump= 0.77023 0.334789 0.542646 0.0140619 178.039 -120.615 -241.693 # jumping subtree containing (T0187)N268 jump= -0.539747 0.510302 -0.456086 0.490154 261.657 9.11867 -221.795 # jumping subtree containing (T0187)V254 jump= 0.367537 -0.451112 0.584931 0.56504 -23.0951 287.616 -346.075 # jumping subtree containing (T0187)S241 jump= -0.988804 -0.00550646 0.141932 -0.04574 -88.6782 11.737 10.8669 # jumping subtree containing (T0187)I335 jump= 0.647836 0.532652 0.480667 0.256025 219.759 -51.8001 -305.506 # jumping subtree containing (T0187)G201 jump= 0.799839 0.540658 0.238935 0.104197 140.227 -188.396 -209.659 # jumping subtree containing (T0187)K259 jump= -0.986103 -0.007004 -0.0184876 0.164954 -5.66018 9.27458 -1.45088 # jumping subtree containing (T0187)I335 jump= -0.264754 0.549597 -0.729256 0.309894 175.526 -42.9673 -424.531 # jumping subtree containing (T0187)V243 jump= -0.610997 -0.707344 0.187545 0.301951 -183.378 -179.871 -327.656 # jumping subtree containing (T0187)I344 jump= 0.707192 0.131343 -0.646242 0.254951 -245.713 -151.815 -214.563 # generation 173: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 693 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2484 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= 0.999997 -0.00166661 -0.000641551 -0.00170725 20.7502 -2.00276 -0.525862 # jumping subtree containing (T0187)I335 jump= -0.144093 -0.564878 0.810626 -0.0550865 -34.9594 -89.1369 -526.001 # jumping subtree containing (T0187)T209 jump= 0.101558 -0.0529427 0.78421 -0.609835 -13.5025 -259.165 -305.906 # jumping subtree containing (T0187)L214 jump= 0.701169 0.343765 -0.491513 0.385489 -110.494 -219.975 -196.313 # jumping subtree containing (T0187)I335 jump= 0.999581 0.00686346 0.0198766 -0.0199017 23.9377 -15.1203 15.9755 # jumping subtree containing (T0187)I335 jump= 0.251606 -0.841355 0.329796 0.346484 -116.882 216.286 -436.071 # jumping subtree containing (T0187)I335 jump= -0.997035 0.0278312 -0.0714654 0.00625677 35.4092 2.84754 -14.1683 # jumping subtree containing (T0187)I335 jump= -0.793312 0.468807 0.269243 0.279973 -81.378 242.952 -116.302 # jumping subtree containing (T0187)I335 jump= 0.669911 -0.362539 -0.259523 -0.59366 -32.0959 199.001 -68.5674 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.986988 -0.0205256 0.0206889 -0.158134 13.097 -20.7836 15.583 # generation 174: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 703 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2498 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= -0.87325 0.43868 -0.211417 0.0172472 121.918 205.909 -115.213 # jumping subtree containing (T0187)Q327 jump= 0.728479 -0.549017 0.221383 -0.344801 158.919 209.758 -148.579 # jumping subtree containing (T0187)I335 jump= -0.941166 -0.230142 -0.20401 0.140076 52.6935 -136.963 -56.3805 # jumping subtree containing (T0187)T209 jump= -0.897569 -0.203117 -0.357186 0.159787 116.806 -133.709 -131.979 # jumping subtree containing (T0187)I335 jump= 0.402649 0.892137 0.0584225 -0.196347 -79.8539 -168.739 -464.081 # jumping subtree containing (T0187)I335 jump= 0.711142 0.0018035 -0.692871 -0.11918 -299.895 33.9259 -244.677 # jumping subtree containing (T0187)V294 jump= -0.918071 -0.306064 -0.0767447 0.239961 -34.2827 -163.559 -94.0289 # jumping subtree containing (T0187)I272 jump= 0.953338 -0.113494 0.279632 0.00844628 150.645 66.7394 -66.0824 # jumping subtree containing (T0187)N268 jump= 0.950414 0.274408 -0.0840618 -0.11978 -59.4789 -130.229 -38.2466 # jumping subtree containing (T0187)L345 jump= 0.720552 -0.139108 0.317803 0.600379 111.89 209.666 -89.4772 # Removing break moved up 3 to before 61 # generation 175: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 709 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2516 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L214 jump= 0.485914 -0.757972 -0.122411 0.417591 -223.25 218.114 -328.716 # jumping subtree containing (T0187)I335 jump= 0.917655 0.207138 0.306563 -0.14499 134.463 -119.5 -97.7 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)F286 jump= -0.533714 0.831708 -0.0489685 0.144958 84.2307 312.939 -313.535 # jumping subtree containing (T0187)Q327 jump= -0.0876483 -0.25269 0.664158 -0.698112 62.7468 -199.461 -241.239 # jumping subtree containing (T0187)L214 jump= 0.723632 0.605852 -0.284515 0.168375 -22.7579 -249.686 -265.577 # jumping subtree containing (T0187)I335 jump= -0.413844 -0.114583 -0.895209 0.119178 161.001 -68.3916 -430.908 # jumping subtree containing (T0187)Q327 jump= 0.78264 0.330703 -0.10415 0.516975 82.8262 -113.952 -71.3858 # jumping subtree containing (T0187)V294 jump= 0.94413 -0.0990806 -0.00783626 -0.314229 -41.9819 54.7935 -12.6711 # jumping subtree containing (T0187)I335 jump= 0.338579 0.0822068 -0.851508 0.391843 -177.832 -180.934 -334.654 # generation 176: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 722 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2527 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.0756214 -0.873303 -0.312968 -0.365614 132.613 158.21 -459.806 # jumping subtree containing (T0187)K259 jump= 0.823356 0.301098 0.393155 -0.277224 70.1808 -172.324 -182.521 # jumping subtree containing (T0187)I335 jump= 0.491394 -0.614319 -0.59764 -0.154828 -132.948 232.095 -381.884 # jumping subtree containing (T0187)V317 jump= -0.32231 -0.936155 0.0654955 -0.124262 35.0266 -93.9039 -510.968 # jumping subtree containing (T0187)V294 jump= -0.30443 -0.372648 0.713287 -0.509585 3.38831 -243.466 -299.745 # jumping subtree containing (T0187)V251 jump= -0.0960537 0.351556 -0.668556 -0.64824 -114.577 300.97 -338.446 # jumping subtree containing (T0187)I335 jump= -0.941697 -0.172166 0.184514 0.222534 -126.209 -94.1593 -27.1911 # jumping subtree containing (T0187)I335 jump= -0.407747 0.647081 0.594502 -0.248183 -265.101 118.86 -399.331 # generation 177: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 729 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2544 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R325 jump= -0.575946 -0.583956 -0.280799 0.49843 -106.47 -223.316 -231.832 # jumping subtree containing (T0187)S225 jump= 0.893399 0.0125015 -0.423571 0.149227 -210.514 -48.0293 -81.3296 # jumping subtree containing (T0187)V294 jump= -0.844486 0.220563 0.487979 -0.0084591 -249.285 80.8493 -128.768 # jumping subtree containing (T0187)Q327 jump= -0.616656 0.693138 -0.308995 -0.209327 28.9223 314.686 -282.705 # jumping subtree containing (T0187)N268 jump= 0.850057 -0.182258 0.454924 0.19295 205.671 133.654 -158.014 # jumping subtree containing (T0187)S241 jump= 0.721585 0.534107 -0.212322 0.385958 40.4033 -215.807 -205.139 # jumping subtree containing (T0187)I335 jump= 0.999618 0.0135555 0.00401019 0.0237351 -7.13195 -2.57333 -8.57795 # jumping subtree containing (T0187)N268 jump= -0.996324 -0.00381502 0.0185531 0.0835465 -23.599 13.4276 20.3712 # jumping subtree containing (T0187)V294 jump= -0.999868 0.000146711 -0.00591942 0.0151387 7.77416 -11.8812 6.30443 # Removing break moved up 3 to before 61 # generation 178: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 739 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2558 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= 0.955285 0.23121 -0.170804 -0.0692698 -87.6509 -110.975 -39.8897 # jumping subtree containing (T0187)G201 jump= 0.828552 0.140085 -0.0931472 -0.534042 -108.466 -63.2506 -39.5094 # jumping subtree containing (T0187)L214 jump= -0.950794 0.240819 0.161793 0.108719 -97.0122 131.498 -10.7518 # jumping subtree containing (T0187)H239 jump= 0.990613 0.0671327 0.0162169 -0.117962 -20.4584 -32.5442 2.65495 # jumping subtree containing (T0187)R325 jump= 0.739765 0.331437 -0.0245315 0.58506 107.499 -97.9635 -69.1074 # jumping subtree containing (T0187)I335 jump= 0.999839 0.0172222 0.000495721 -0.00501478 -10.9878 8.78551 -3.45939 # jumping subtree containing (T0187)I335 jump= -0.801141 0.440134 -0.0963597 0.393917 126.607 156.992 -96.981 # jumping subtree containing (T0187)V294 jump= -0.724231 0.379279 0.064547 -0.572251 -106.021 186.599 -27.0555 # jumping subtree containing (T0187)N268 jump= 0.989075 0.139368 -0.032404 0.0354653 5.61081 -87.0443 -5.656 # generation 179: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 750 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2571 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= -0.777577 0.378554 -0.490217 -0.108437 158.758 194.986 -213.587 # jumping subtree containing (T0187)V294 jump= 0.334633 0.834925 0.315314 0.302485 150.954 -21.5411 -444.598 # jumping subtree containing (T0187)I335 jump= 0.702279 -0.00747381 0.656199 -0.275956 219.736 -88.3258 -264.012 # jumping subtree containing (T0187)T209 jump= -0.988212 -0.0287295 -0.133753 -0.068713 80.7381 6.72006 -4.45382 # jumping subtree containing (T0187)I335 jump= 0.536413 0.776716 0.104746 0.313052 160.885 -159.971 -327.055 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)N268 jump= -0.952899 0.251093 -0.167097 -0.0318619 68.2369 147.55 -42.0301 # jumping subtree containing (T0187)S241 jump= -0.704886 0.134618 -0.684645 0.127576 278.66 -0.921023 -307.049 # jumping subtree containing (T0187)S241 jump= -0.826879 0.309109 -0.253448 -0.395584 64.0905 260.026 -109.231 # generation 180: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 761 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2584 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.171031 -0.0692825 0.120155 -0.975454 11.1532 -10.1882 21.1394 # jumping subtree containing (T0187)T209 jump= -0.0270971 -0.0413579 0.907013 -0.418191 -48.3161 -211.204 -405.116 # jumping subtree containing (T0187)V294 jump= 0.964922 -0.17748 0.0475303 0.187528 27.7146 82.74 -10.9736 # jumping subtree containing (T0187)G201 jump= -0.851888 -0.235506 0.356019 -0.303437 -100.921 -161.724 -80.6557 # jumping subtree containing (T0187)L214 jump= -0.99976 -0.0206693 0.00422174 -0.00596546 6.86034 -1.66011 -2.67776 # jumping subtree containing (T0187)I335 jump= 0.465319 0.136711 -0.173092 -0.857221 -170.925 72.4711 -42.8818 # jumping subtree containing (T0187)L214 jump= -0.588656 -0.639889 -0.137541 0.474457 -146.824 -201.005 -265.543 # jumping subtree containing (T0187)V294 jump= -0.921853 0.28625 -0.0359058 -0.258764 18.5432 148.304 -12.918 # jumping subtree containing (T0187)V294 jump= -0.646879 -0.433915 0.352729 0.518505 -286.359 -24.6544 -213.205 # jumping subtree containing (T0187)V294 jump= 0.817248 0.11268 0.0184275 -0.564862 -66.0872 -24.1734 -31.4175 # jumping subtree containing (T0187)N268 jump= 0.547085 0.541607 -0.629081 0.107782 -152.451 -196.83 -377.747 # jumping subtree containing (T0187)I335 jump= -0.997802 -0.0206311 0.0272478 0.0567742 8.93946 -11.0951 7.20906 # jumping subtree containing (T0187)I287 jump= 0.650882 0.452471 0.53706 0.288427 243.136 -0.270781 -339.794 # generation 181: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 775 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2594 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.841424 0.115519 -0.266064 0.455929 -83.081 -90.2867 -49.8778 # jumping subtree containing (T0187)K259 jump= -0.0359245 -0.444299 -0.823806 0.350217 -136.07 -134.32 -470.419 # jumping subtree containing (T0187)V294 jump= -0.844422 -0.156403 0.398147 0.322441 -211.917 -16.7728 -112.726 # jumping subtree containing (T0187)V294 jump= 0.725263 0.636584 0.116135 0.235091 129.33 -200.842 -270.08 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)T209 jump= -0.0207403 -0.449342 -0.851071 -0.270812 16.2171 141.964 -490.705 # jumping subtree containing (T0187)E211 jump= 0.394733 -0.445181 0.490161 -0.636979 205.984 -74.9408 -205.551 # jumping subtree containing (T0187)N268 jump= -0.587946 -0.170925 -0.513333 0.601326 60.1168 -211.174 -176.65 # jumping subtree containing (T0187)P304 jump= 0.9984 0.0167477 -0.0539626 -0.00227603 -26.1324 -9.35965 19.9918 # jumping subtree containing (T0187)I335 jump= -0.991833 -0.115902 -0.0428088 0.0316467 5.36983 -84.7314 -15.5276 # generation 182: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 785 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2608 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.991443 0.0283832 -0.0985818 0.0807284 44.2642 13.2778 11.0051 # jumping subtree containing (T0187)I335 jump= -0.81428 0.226621 0.530923 -0.0609207 -263.506 96.1212 -120.981 # jumping subtree containing (T0187)I335 jump= 0.480549 -0.120218 -0.851256 0.173159 -263.284 -44.1272 -386.248 # jumping subtree containing (T0187)I335 jump= 0.64837 -0.645566 0.10038 -0.390877 142.527 239.235 -190.759 # jumping subtree containing (T0187)Q327 jump= -0.98427 -0.113563 0.0855767 -0.104847 -44.0965 -68.0625 -30.0904 # jumping subtree containing (T0187)V343 jump= -0.861178 -0.364994 0.339727 0.0986808 -192.737 -171.619 -126.814 # jumping subtree containing (T0187)V294 jump= 0.984868 0.0504277 -0.150256 0.0701141 -51.9116 -47.6346 -6.31971 # jumping subtree containing (T0187)I335 jump= 0.986391 -0.0474191 -0.110678 -0.111958 -80.3011 26.5967 12.8739 # jumping subtree containing (T0187)Q327 jump= 0.180443 -0.520353 -0.797915 -0.244959 -56.5051 167.158 -468.7 # jumping subtree containing (T0187)N268 jump= 0.738648 0.00399367 0.664793 0.111508 247.911 33.6817 -284.516 # jumping subtree containing (T0187)V294 jump= 0.999048 0.0289839 0.00275746 0.0324806 28.5398 -21.8122 -9.74862 # jumping subtree containing (T0187)N268 jump= 0.258394 0.439194 -0.03777 -0.859601 -302.323 -9.58821 -169.513 # jumping subtree containing (T0187)S241 jump= -0.0210937 0.0726822 -0.509453 0.857164 -2.49882 -195.657 -105.91 # generation 183: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 795 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2622 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.994845 -0.0745857 -0.0124945 -0.0675576 2.50081 48.1165 -17.0201 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)S241 jump= -0.997535 0.0624726 -0.0131977 0.029089 12.4852 32.344 5.56525 # jumping subtree containing (T0187)I248 jump= 0.211134 0.647309 -0.113592 -0.72354 -304.087 83.129 -275.614 # jumping subtree containing (T0187)V294 jump= -0.996739 0.0664642 0.0430096 0.0155992 -27.1849 44.8222 11.1741 # jumping subtree containing (T0187)Q327 jump= 0.0827951 0.683586 -0.113417 0.716234 245.57 -26.6143 -243.961 # jumping subtree containing (T0187)N268 jump= -0.785836 -0.278435 -0.0940037 0.54415 -98.5054 -170.021 -50.2746 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.958838 0.058851 0.179783 -0.211767 71.6348 -64.7963 -22.5789 # jumping subtree containing (T0187)S241 jump= 0.650399 0.345465 -0.355023 0.575842 -5.24055 -213.817 -99.2724 # jumping subtree containing (T0187)A305 jump= -0.672815 -0.607648 0.15194 0.393698 -188.996 -154.575 -236.07 # jumping subtree containing (T0187)S241 jump= 0.740454 0.207786 -0.512118 0.382476 -173.318 -187.261 -130.948 # jumping subtree containing (T0187)I335 jump= -0.170157 -0.876742 0.0579838 -0.446103 212.523 -38.7304 -388.358 # generation 184: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 810 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2631 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= 0.202702 0.195752 0.443678 0.850731 97.2205 221.655 -164.974 # jumping subtree containing (T0187)R325 jump= -0.576955 -0.34247 0.0210174 -0.741212 169.704 -76.4131 -66.0358 # jumping subtree containing (T0187)L214 jump= -0.490507 0.0625499 -0.438907 -0.750234 57.2115 239.655 -142.067 # jumping subtree containing (T0187)A305 jump= 0.659919 -0.684945 -0.291125 -0.102972 -95.4141 288.029 -254.176 # jumping subtree containing (T0187)I335 jump= -0.807619 -0.113572 0.184305 0.54853 -131.934 6.14925 -17.9495 # jumping subtree containing (T0187)I335 jump= -0.0788617 -0.0948716 0.679803 0.722944 -126.216 295.116 -270.822 # jumping subtree containing (T0187)N268 jump= -0.998188 0.0210066 0.00839303 0.0557512 -30.7263 22.6463 -4.12804 # jumping subtree containing (T0187)L214 jump= 0.415954 0.0793171 0.904077 0.0577585 163.792 6.35115 -496.625 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)N268 jump= 0.464265 0.308188 0.76506 -0.322739 74.2984 -200.02 -384.744 # jumping subtree containing (T0187)I335 jump= -0.670608 -0.204521 -0.50856 -0.499822 237.32 88.7789 -198.367 # jumping subtree containing (T0187)I335 jump= -0.441396 0.60788 -0.655802 0.074675 182.021 137.095 -415.415 # jumping subtree containing (T0187)I335 jump= -0.785958 -0.583307 0.00425801 0.204952 -86.932 -239.241 -206.379 # jumping subtree containing (T0187)I335 jump= 0.699465 0.0607144 -0.635082 -0.322077 -291.686 67.9358 -195.129 # jumping subtree containing (T0187)S241 jump= 0.99859 -0.0018767 -0.0223332 -0.0481139 -21.7861 7.7555 -4.20208 # generation 185: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 818 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2647 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= -0.682953 -0.546877 0.152025 -0.45977 88.1832 -162.959 -191.023 # jumping subtree containing (T0187)Q327 jump= 0.212209 -0.145284 0.373456 -0.891286 88.6726 -119.678 -42.8915 # jumping subtree containing (T0187)K303 jump= -0.629651 0.243415 -0.736509 -0.04293 253.118 112.54 -332.061 # jumping subtree containing (T0187)L214 jump= -0.771279 0.423577 -0.0313608 0.474055 107.759 164.147 -82.7426 # jumping subtree containing (T0187)I335 jump= -0.325667 0.829484 0.447779 0.0734223 -88.8809 223.541 -457.121 # jumping subtree containing (T0187)V251 jump= -0.59847 0.188373 -0.69598 0.34923 213.401 -71.9895 -257.063 # jumping subtree containing (T0187)L214 jump= 0.751099 0.101431 0.571756 0.314097 242.578 105.055 -214.263 # jumping subtree containing (T0187)V317 jump= -0.796353 -0.491785 0.302505 -0.180169 -41.0538 -232.803 -194.39 # jumping subtree containing (T0187)G201 jump= -0.999012 -0.0238968 0.0329185 -0.0179042 -16.7302 -34.0719 11.9546 # jumping subtree containing (T0187)I335 jump= 0.452114 0.536206 0.100446 -0.705681 -241.33 -145.08 -170.889 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.616054 -0.557374 0.49835 -0.247908 208.556 101.416 -264.993 # jumping subtree containing (T0187)I335 jump= 0.714522 0.551823 -0.192223 0.384707 73.3312 -230.024 -197.03 # jumping subtree containing (T0187)N268 jump= 0.719962 -0.258574 0.403667 0.501844 79.5407 243.916 -153.907 # generation 186: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 828 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2661 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= 0.312317 -0.128326 0.612658 0.714592 45.3323 319.819 -235.86 # jumping subtree containing (T0187)I335 jump= 0.999851 -0.00117908 0.0170761 0.00207615 18.1511 -0.671811 -1.05647 # jumping subtree containing (T0187)I335 jump= -0.955598 0.138074 0.125451 -0.228103 -62.9866 63.3396 -1.92002 # jumping subtree containing (T0187)I335 jump= -0.792324 0.0177763 0.582645 -0.180085 -256.537 -28.9348 -162.938 # jumping subtree containing (T0187)Q327 jump= -0.720877 -0.160826 0.540697 0.402639 -258.367 60.3097 -180.058 # jumping subtree containing (T0187)I335 jump= 0.931846 -0.217493 0.245806 -0.154721 146.191 86.5699 -55.1776 # jumping subtree containing (T0187)I287 jump= 0.779493 -0.521469 -0.270282 -0.217737 -75.8129 282.226 -143.091 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.212159 0.210392 -0.0609636 -0.952369 -108.008 111.711 -36.3783 # jumping subtree containing (T0187)I335 jump= 0.3897 0.330675 0.123817 -0.850563 -180.244 -90.7949 -74.1983 # generation 187: best score out of 40: T0187.try1-al10 75.6763 cost/residue, 243 clashes 0.0175953 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 102 ## TwoFragment 10 ## CrossOver 836 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2677 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= 0.714171 -0.554039 0.418397 -0.0891286 187.302 198.253 -213.567 # jumping subtree containing (T0187)I335 jump= -0.525554 -0.284001 -0.600598 0.531431 41.725 -223.215 -221.374 # jumping subtree containing (T0187)I335 jump= -0.0753051 -0.230561 -0.0308606 -0.969649 61.6649 67.2672 -18.2475 # jumping subtree containing (T0187)I335 jump= 0.098825 -0.203313 0.0619647 -0.972141 65.7255 52.7615 -14.3933 # jumping subtree containing (T0187)K303 jump= -0.430272 -0.197142 0.214322 0.854439 -168.718 133.595 -83.3631 # jumping subtree containing (T0187)I335 jump= -0.985466 -0.070419 -0.0137689 0.153976 -27.8565 -55.0811 -22.4173 # jumping subtree containing (T0187)I287 jump= 0.283193 -0.36435 -0.388729 -0.797459 20.0233 300.484 -144.538 # jumping subtree containing (T0187)I335 jump= -0.374329 -0.42478 -0.698533 -0.437596 185.314 121.062 -385.682 # generation 188: best score out of 40: T0187.try1-al10 75.5593 cost/residue, 246 clashes 0.0219808 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 103 ## TwoFragment 10 ## CrossOver 846 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1196 ## OptSubtree 2690 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= 0.473616 0.302623 -0.826679 -0.0266316 -247.053 -69.0006 -413.272 # jumping subtree containing (T0187)I335 jump= -0.986885 -0.148716 0.0318666 0.0540956 -23.1212 -55.807 -1.39221 # jumping subtree containing (T0187)I335 jump= 0.926663 0.0475106 0.363233 -0.0842611 140.909 -54.684 -99.718 # jumping subtree containing (T0187)S241 jump= 0.999999 3.49805e-05 0.000345948 0.00138675 -1.36236 3.04592 -26.5235 # jumping subtree containing (T0187)V294 jump= -0.671527 -0.478746 0.514297 -0.23527 -108.276 -215.697 -264.496 # jumping subtree containing (T0187)V317 jump= 0.978745 -0.0566454 0.107983 0.164889 84.982 31.0284 -18.0089 # jumping subtree containing (T0187)I335 jump= -0.525445 -0.84209 -0.0694364 0.0998508 -36.3468 -198.365 -381.913 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)S347 jump= 0.556798 -0.399802 -0.49473 -0.534206 -93.6307 290.889 -178.046 # jumping subtree containing (T0187)Q327 jump= 0.236765 -0.232186 0.18259 0.925577 -80.1339 207.266 -44.6982 # Removing break moved up 3 to before 61 # generation 189: best score out of 40: T0187.try1-al10 75.5593 cost/residue, 246 clashes 0.0219808 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 103 ## TwoFragment 10 ## CrossOver 853 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1198 ## OptSubtree 2705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= -0.965443 -0.0787582 0.0279906 0.246846 -43.8739 -52.195 8.85032 # jumping subtree containing (T0187)I335 jump= 0.163197 -0.917978 -0.229664 0.279173 -163.192 91.2307 -464.77 # jumping subtree containing (T0187)N268 jump= -0.235584 -0.609331 0.740885 -0.155903 -40.2322 -151.064 -526.209 # jumping subtree containing (T0187)S241 jump= 0.92595 0.049345 0.275711 0.253307 174.773 45.0663 -72.1116 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)I335 jump= -0.999725 -0.0170296 0.0100592 0.0125762 9.13727 -28.9363 -9.38636 # jumping subtree containing (T0187)Q327 jump= -0.967838 -0.1646 0.187168 0.0341231 -79.369 -94.4318 -28.7828 # jumping subtree containing (T0187)S241 jump= -0.0751462 -0.20531 0.0599353 -0.973965 77.2931 50.2552 -11.0294 # jumping subtree containing (T0187)N268 jump= 0.677837 0.369052 -0.184416 -0.608546 -254.584 -95.4078 -150.26 # generation 190: best score out of 40: T0187.try1-al10 75.5593 cost/residue, 246 clashes 0.0219808 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 103 ## TwoFragment 10 ## CrossOver 855 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1205 ## OptSubtree 2732 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= 0.966717 0.12823 0.0778747 -0.207247 -14.9006 -82.6373 -36.8167 # jumping subtree containing (T0187)I287 jump= -0.681172 -0.0929183 0.259805 -0.678138 -11.5441 -67.7038 -4.26587 # jumping subtree containing (T0187)K259 jump= 0.316731 0.180445 0.888612 0.278371 113.099 125.055 -521.625 # jumping subtree containing (T0187)N268 jump= 0.210734 0.809933 0.0152825 0.547144 229.189 -44.1451 -333.775 # jumping subtree containing (T0187)E341 jump= -0.337548 -0.627521 0.656524 -0.247498 -24.5605 -208.685 -414.007 # jumping subtree containing (T0187)T224 jump= -0.669721 -0.0436663 -0.551514 -0.495378 217.287 165.633 -223.459 # jumping subtree containing (T0187)I222 jump= 0.67853 0.621979 -0.357109 -0.158783 -166.616 -161.389 -308.074 # generation 191: best score out of 40: T0187.try1-al10 75.5519 cost/residue, 245 clashes 0.0208345 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 858 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1205 ## OptSubtree 2756 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= -0.96133 -0.0737586 0.226061 0.138924 -136.008 -10.4675 -3.91183 # jumping subtree containing (T0187)T209 jump= -0.588761 -0.746791 0.142731 0.274392 -162.155 -197.296 -363.401 # jumping subtree containing (T0187)L214 jump= -0.216641 -0.609241 0.761542 -0.0441193 -93.4762 -105.449 -519.568 # jumping subtree containing (T0187)A333 jump= -0.402839 -0.508486 0.154227 0.745236 -292.452 -15.9836 -168.003 # jumping subtree containing (T0187)N268 jump= 0.038303 0.210306 0.665528 -0.715106 -153.127 -214.807 -212.562 # jumping subtree containing (T0187)I335 jump= 0.854915 -0.399817 0.00379354 0.330535 -49.3705 203.581 -90.7873 # jumping subtree containing (T0187)I335 jump= 0.462347 -0.506275 -0.726665 -0.0433456 -216.514 173.368 -388.257 # jumping subtree containing (T0187)I335 jump= -0.973656 0.220738 0.0237851 0.0519816 -27.4773 116.716 -17.5798 # jumping subtree containing (T0187)S241 jump= -0.827411 -0.150912 0.538901 0.0469298 -267.121 -54.9811 -161.486 # jumping subtree containing (T0187)R325 jump= -0.881636 0.363575 -0.0929176 0.286177 75.6603 191.612 -34.8106 # generation 192: best score out of 40: T0187.try1-al10 75.5519 cost/residue, 245 clashes 0.0208345 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 861 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1209 ## OptSubtree 2778 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.0347229 0.555227 0.704836 -0.44014 -220.431 -99.1545 -433.812 # jumping subtree containing (T0187)V294 jump= -0.479989 0.122795 -0.133119 0.858377 16.5856 20.9794 30.105 # jumping subtree containing (T0187)E218 jump= -0.977222 0.20398 -0.0572507 -0.0123252 28.6368 85.3424 -11.8286 # jumping subtree containing (T0187)I335 jump= -0.757026 -0.350268 0.088183 0.54447 -175.59 -89.0259 -94.7294 # jumping subtree containing (T0187)Q327 jump= 0.17561 -0.491291 -0.719698 0.458071 -211.309 -91.1124 -370.412 # jumping subtree containing (T0187)V294 jump= -0.675065 -0.115206 -0.686312 -0.244931 265.799 67.8262 -280.874 # jumping subtree containing (T0187)L214 jump= 0.610758 -0.410246 -0.483614 -0.47412 -81.8689 292.713 -193.896 # jumping subtree containing (T0187)V294 jump= -0.464961 0.552856 0.574689 0.384569 -95.5921 274.138 -315.338 # jumping subtree containing (T0187)V294 jump= 0.802506 0.393584 0.295843 -0.336976 13.6004 -199.233 -135.266 # jumping subtree containing (T0187)I335 jump= 0.576496 0.385582 -0.58706 0.417541 -77.9638 -221.974 -233.237 # jumping subtree containing (T0187)E341 jump= -0.99312 -0.0966853 0.0287231 0.0594904 -23.7933 -30.9401 -4.46115 # jumping subtree containing (T0187)V294 jump= -0.997738 -0.0109705 0.0474316 0.0463539 -43.6641 6.51968 -16.5715 # generation 193: best score out of 40: T0187.try1-al10 75.5519 cost/residue, 245 clashes 0.0208345 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 868 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2804 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R325 jump= 0.756219 0.205002 -0.457242 0.420757 -123.731 -149.128 -134.134 # jumping subtree containing (T0187)T313 jump= -0.954201 -0.277847 -0.0741989 -0.0824434 38.7267 -125.144 -78.3953 # jumping subtree containing (T0187)I222 jump= 0.0895349 0.587957 -0.597841 0.537472 143.401 -147.864 -345.642 # jumping subtree containing (T0187)T313 jump= -0.867566 -0.413565 0.148318 -0.233012 3.48831 -216.022 -125.327 # generation 194: best score out of 40: T0187.try1-al10 75.5518 cost/residue, 245 clashes 0.0208344 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 871 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2825 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T209 jump= -0.777959 -0.268125 0.369914 0.431338 -254.73 -52.8268 -119.416 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)V317 jump= 0.607871 -0.666655 0.203497 0.380333 -24.7129 299.12 -259.473 # jumping subtree containing (T0187)G319 jump= 0.57808 0.181783 0.490948 -0.625899 52.4135 -161.043 -127.714 # jumping subtree containing (T0187)G201 jump= 0.811706 0.265281 -0.193873 0.482879 -2.77979 -126.296 -77.4653 # jumping subtree containing (T0187)N268 jump= 0.0206806 -0.446496 -0.148713 -0.882099 157.583 136.336 -110.273 # jumping subtree containing (T0187)S241 jump= -0.672664 0.0524342 -0.398947 -0.620979 128.383 202.421 -112.372 # jumping subtree containing (T0187)V294 jump= -0.00557359 -0.0248946 0.856996 0.51469 -24.5112 244.801 -452.772 # jumping subtree containing (T0187)I335 jump= -0.999868 -0.00196343 -0.00972687 -0.0128726 16.4392 17.714 13.8512 # jumping subtree containing (T0187)V317 jump= -0.194805 -0.855988 -0.137141 -0.458834 198.106 19.1258 -420.798 # jumping subtree containing (T0187)S241 jump= 0.934772 0.284268 0.0421221 0.208853 77.4958 -127.252 -86.8788 # jumping subtree containing (T0187)V294 jump= 0.949612 -0.158208 0.0960925 0.252928 61.5057 98.845 -30.3189 # jumping subtree containing (T0187)V294 jump= -0.760706 0.00722976 0.380082 0.526129 -200.588 97.28 -81.0947 # jumping subtree containing (T0187)V317 jump= 0.713447 0.653573 0.161686 -0.194148 -44.9858 -243.595 -273.908 # jumping subtree containing (T0187)V317 jump= -0.438361 0.403157 0.79047 -0.143042 -242.919 53.7972 -432.076 # generation 195: best score out of 40: T0187.try1-al10 75.5518 cost/residue, 245 clashes 0.0208344 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 882 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2838 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L214 jump= -0.82801 -0.549574 -0.0830738 0.0739379 -14.7952 -244.687 -215.474 # jumping subtree containing (T0187)N250 jump= 0.112621 -0.585298 0.0914425 0.797735 -266.278 156.051 -220.475 # jumping subtree containing (T0187)K259 jump= 0.770054 0.439942 -0.300884 -0.350624 -253.65 -121.592 -194.504 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)V294 jump= 0.522571 0.00322589 -0.835123 0.171693 -237.695 -58.2023 -350.854 # jumping subtree containing (T0187)I335 jump= 0.996897 -0.0432092 -0.0161777 0.0637792 -8.67533 23.0106 -8.95455 # jumping subtree containing (T0187)E341 jump= -0.72676 -0.382812 0.155848 -0.548622 37.5206 -168.224 -82.8854 # jumping subtree containing (T0187)I335 jump= -0.053226 -0.432241 -0.887309 -0.151717 11.5057 83.7419 -552.515 # jumping subtree containing (T0187)V317 jump= 0.172676 -0.471379 0.849063 0.164552 62.0419 157.095 -499.351 # jumping subtree containing (T0187)V294 jump= -0.753508 0.09335 0.44777 0.472243 -205.034 176.841 -121.128 # jumping subtree containing (T0187)V294 jump= -0.92563 0.0633343 -0.360468 -0.0962337 194.419 71.6546 -85.8218 # generation 196: best score out of 40: T0187.try1-al10 75.5518 cost/residue, 245 clashes 0.0208344 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 892 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2852 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V294 jump= 0.990873 -0.0131039 -0.0273213 -0.131346 -42.6656 -13.1305 -2.78138 # jumping subtree containing (T0187)N268 jump= 0.773308 -0.254678 -0.313655 0.488626 -233.287 62.5696 -48.1651 # jumping subtree containing (T0187)I335 jump= 0.0188079 -0.196347 -0.980344 -0.00441388 -57.9236 31.4383 -538.439 # jumping subtree containing (T0187)A333 jump= -0.217544 0.817689 -0.481627 0.228242 180.752 84.2713 -467.818 # jumping subtree containing (T0187)K253 jump= -0.466488 -0.0703684 0.782858 0.405672 -263.993 152.172 -355.913 # jumping subtree containing (T0187)I335 jump= 0.360337 -0.192549 0.410256 -0.815336 115.605 -100.156 -64.3426 # jumping subtree containing (T0187)K259 jump= 0.592118 -0.70439 -0.0738404 0.384419 -164.953 269.278 -252.187 # jumping subtree containing (T0187)I335 jump= 0.412353 -0.690383 -0.0715094 0.590104 -224.794 180.158 -237.604 # jumping subtree containing (T0187)Q327 jump= 0.458145 -0.173541 -0.550456 -0.676007 -99.1043 267.825 -208.12 # jumping subtree containing (T0187)S241 jump= -0.577796 -0.441152 -0.644688 0.236461 83.9327 -204.526 -394.12 # jumping subtree containing (T0187)V294 jump= -0.918621 -0.186256 -0.136507 0.320642 16.7344 -118.353 -49.8479 # jumping subtree containing (T0187)I335 jump= 0.198817 -0.061275 0.854933 0.475192 26.3806 239.588 -399.077 # generation 197: best score out of 40: T0187.try1-al10 75.5518 cost/residue, 245 clashes 0.0208344 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 904 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2864 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I335 jump= -0.399502 0.728617 0.235338 -0.504114 -269.117 166.657 -277.44 # jumping subtree containing (T0187)I287 jump= 0.956574 0.113584 0.164733 0.21196 102.155 -10.734 -20.5422 # jumping subtree containing (T0187)I287 jump= 0.365305 0.0594626 0.592409 -0.715589 15.7945 -173.047 -169.307 # jumping subtree containing (T0187)V294 jump= -0.949372 -0.122833 0.236307 -0.166628 -78.3167 -69.1378 -43.836 # jumping subtree containing (T0187)Q327 jump= 0.743264 -0.185661 0.191456 0.613542 34.7957 194.664 -32.8308 # jumping subtree containing (T0187)T209 jump= -0.453497 0.236115 0.141008 0.847766 20.6912 129.346 -28.3845 # jumping subtree containing (T0187)E218 jump= -0.602167 0.378888 0.700886 -0.0509725 -266.133 139.386 -320.453 # jumping subtree containing (T0187)I335 jump= 0.750921 0.654463 0.0702729 0.0534473 65.6307 -209.492 -254.495 # jumping subtree containing (T0187)V294 jump= 0.907086 -0.248407 0.234108 -0.246337 133.329 91.4293 -61.7706 # jumping subtree containing (T0187)I335 jump= 0.735616 0.0584459 0.643781 0.202485 227.137 52.0911 -268.613 # jumping subtree containing (T0187)I335 jump= 0.445691 -0.568505 0.402838 -0.562035 224.25 20.3747 -241.112 # jumping subtree containing (T0187)V294 jump= 0.689772 -0.351637 0.584735 -0.24218 253.047 44.4545 -231.878 # jumping subtree containing (T0187)I335 jump= -0.761853 -0.131948 0.20736 0.599309 -191.129 -4.08726 -32.2738 # jumping subtree containing (T0187)I335 jump= 0.189547 0.295959 -0.856292 -0.378477 -156.727 138.036 -468.986 # jumping subtree containing (T0187)I335 jump= -0.695414 0.503776 -0.486746 0.160273 199.461 148.272 -251.451 # jumping subtree containing (T0187)K259 jump= -0.879513 -0.354612 0.209617 0.238261 -146.391 -130.721 -113.745 # generation 198: best score out of 40: T0187.try1-al10 75.5517 cost/residue, 245 clashes 0.0208344 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 913 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2879 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N268 jump= -0.604601 0.775565 -0.1807 -0.0174233 86.11 308.334 -341.426 # jumping subtree containing (T0187)I287 jump= 0.697484 -0.324237 -0.407249 -0.492478 -127.673 254.798 -113.514 # jumping subtree containing (T0187)I335 jump= 0.400696 0.180902 -0.666519 0.602054 -98.0672 -234.94 -225.672 # jumping subtree containing (T0187)E218 jump= 0.970532 0.167746 0.0410001 -0.168068 -19.3673 -112.853 -43.2918 # jumping subtree containing (T0187)E341 jump= -0.0269957 -0.536512 0.0385883 0.842578 -257.949 49.2605 -180.6 # jumping subtree containing (T0187)H239 jump= 0.907167 0.054937 0.364813 0.202339 210.164 17.6051 -77.2238 # jumping subtree containing (T0187)K259 jump= -0.570319 0.156637 0.32867 -0.736326 -181 -26.8233 -34.0628 # jumping subtree containing (T0187)Q327 jump= 0.787413 -0.517936 0.214995 0.25593 9.40996 264.759 -144.624 # jumping subtree containing (T0187)E341 jump= 0.393358 -0.286508 0.304526 0.818808 -75.3299 249.972 -103.303 # jumping subtree containing (T0187)I335 jump= 0.156085 0.460478 0.119763 -0.865595 -238.855 -42.3415 -141.486 # Removing break moved up 3 to before 61 # jumping subtree containing (T0187)Q327 jump= 0.752258 -0.537725 0.197337 -0.325605 176 194.144 -121.029 # generation 199: best score out of 40: T0187.try1-al10 75.5517 cost/residue, 245 clashes 0.0208344 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 920 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2896 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.942504 0.270287 -0.19599 0.0147926 -79.3338 -141.25 -67.0195 # jumping subtree containing (T0187)I335 jump= -0.472 0.853184 0.156115 0.157865 25.0025 257.703 -374.604 # jumping subtree containing (T0187)D277 jump= -0.959783 -0.119056 -0.0219631 -0.253299 61.6124 -16.8206 -17.9469 # jumping subtree containing (T0187)K259 jump= 0.834025 0.150198 0.530864 -0.00509213 227.657 -77.398 -224.074 # jumping subtree containing (T0187)E341 jump= -0.323145 0.703673 0.628179 0.0762429 -119.233 210.943 -466.63 # jumping subtree containing (T0187)I335 jump= 0.998504 0.0186686 -0.0146423 0.0492589 1.62126 -12.439 -10.7631 # jumping subtree containing (T0187)N268 jump= -0.258205 -0.426158 0.788258 0.361066 -255.219 67.8763 -463.441 # jumping subtree containing (T0187)I335 jump= 0.943227 0.178731 -0.000853141 -0.27996 -35.2088 -94.614 -20.5251 # jumping subtree containing (T0187)I335 jump= 0.734568 -0.605896 -0.303562 0.0339197 -114.597 266.771 -214.235 # jumping subtree containing (T0187)I335 jump= 0.999786 0.00546947 -0.0123383 -0.015687 -7.25516 -13.0643 -16.4426 # jumping subtree containing (T0187)E218 jump= -0.332494 0.215212 -0.0908118 -0.91372 -79.6 153.919 -39.9509 # jumping subtree containing (T0187)R325 jump= 0.992253 -0.12162 0.00272794 -0.0252095 4.88804 86.2529 17.0763 # jumping subtree containing (T0187)E341 jump= -0.878329 0.429958 -0.14436 0.151114 89.5807 188.357 -75.5946 # jumping subtree containing (T0187)I335 jump= -0.931809 -0.193466 -0.286204 -0.111309 131.259 -54.9967 -100.673 # jumping subtree containing (T0187)I335 jump= 0.992958 -0.0231944 0.107381 0.0443417 57.9573 16.5114 -20.7936 # jumping subtree containing (T0187)I248 jump= -0.308627 0.819302 -0.21971 -0.430372 -153.865 271.809 -404.295 # jumping subtree containing (T0187)I335 jump= -0.72791 0.214165 -0.622751 0.190948 244.899 -6.27197 -228.871 # jumping subtree containing (T0187)S241 jump= -0.0566886 0.697656 0.429305 -0.570754 -275.396 -28.3518 -362.087 # generation 200: best score out of 40: T0187.try1-al10 75.5517 cost/residue, 245 clashes 0.0208344 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 44 ## InsertFragment 104 ## TwoFragment 10 ## CrossOver 926 ## CrossAndInsert 41 ## ReduceClash 36 ## OneRotamer 0 ## ClashingRotamer 29 ## ReduceBreak 1 ## CloseGap 25 ## JiggleSubtree 1211 ## OptSubtree 2914 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_937705644.pdb -s /projects/compbio/tmp/to_scwrl_937705644.seq -o /projects/compbio/tmp/from_scwrl_937705644.pdb -a /projects/compbio/tmp/from_scwrl_937705644_a.pdb -b /projects/compbio/tmp/from_scwrl_937705644_b.pdb > /projects/compbio/tmp/scwrl_937705644.log # T0187.try1-al10-scwrl 75.7445 cost/residue 147 clashes 0.0208347 breaks # iteration 1 # filling pool to have 40 conformations # best score in initial pool out of 40: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA at pool[9] 83.3594 cost/residue, 373 clashes # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA 83.2198 cost/residue, 318 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 2 ## InsertFragment 7 ## TwoFragment 1 ## CrossOver 0 ## CrossAndInsert 1 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA 82.8843 cost/residue, 323 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 5 ## InsertFragment 13 ## TwoFragment 3 ## CrossOver 1 ## CrossAndInsert 5 ## ReduceClash 12 ## OneRotamer 0 ## ClashingRotamer 17 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA 82.8843 cost/residue, 323 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 8 ## InsertFragment 17 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 8 ## ReduceClash 16 ## OneRotamer 0 ## ClashingRotamer 24 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0187.try1-al10 82.4093 cost/residue, 320 clashes # Cumulative usage by method: ## InsertAlignment 0 ## InsertSpecificFragment 11 ## InsertFragment 22 ## TwoFragment 5 ## CrossOver 1 ## CrossAndInsert 10 ## ReduceClash 25 ## OneRotamer 0 ## ClashingRotamer 27 ## ReduceBreak 0 ## CloseGap 1 ## JiggleSubtree 3 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 4 # generation 5: best score out of 40: T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA 81.673 cost/residue, 398 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 24 ## TwoFragment 6 ## CrossOver 1 ## CrossAndInsert 11 ## ReduceClash 28 ## OneRotamer 0 ## ClashingRotamer 30 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 7 ## OptSubtree 4 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al10 81.0395 cost/residue, 431 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 18 ## InsertFragment 30 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 16 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 33 ## ReduceBreak 0 ## CloseGap 2 ## JiggleSubtree 8 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 53 # Removing break before 139 # generation 7: best score out of 40: T0187.try1-al10 80.8699 cost/residue, 434 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 21 ## InsertFragment 33 ## TwoFragment 7 ## CrossOver 1 ## CrossAndInsert 19 ## ReduceClash 35 ## OneRotamer 0 ## ClashingRotamer 38 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 13 ## OptSubtree 7 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 139 # Removing break before 16 # jumping subtree containing (T0187)G284 jump= -0.681137 0.159721 0.518492 -0.491638 45.4841 -27.2885 -33.1561 # generation 8: best score out of 40: T0187.try1-al10 80.063 cost/residue, 430 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 25 ## InsertFragment 38 ## TwoFragment 7 ## CrossOver 2 ## CrossAndInsert 20 ## ReduceClash 38 ## OneRotamer 0 ## ClashingRotamer 47 ## ReduceBreak 0 ## CloseGap 4 ## JiggleSubtree 15 ## OptSubtree 10 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 20 # generation 9: best score out of 40: T0187.try1-al10 79.9193 cost/residue, 430 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 26 ## InsertFragment 43 ## TwoFragment 7 ## CrossOver 2 ## CrossAndInsert 21 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 57 ## ReduceBreak 0 ## CloseGap 5 ## JiggleSubtree 18 ## OptSubtree 12 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # generation 10: best score out of 40: T0187.try1-al10 79.7575 cost/residue, 407 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 27 ## InsertFragment 48 ## TwoFragment 7 ## CrossOver 2 ## CrossAndInsert 22 ## ReduceClash 46 ## OneRotamer 0 ## ClashingRotamer 62 ## ReduceBreak 0 ## CloseGap 6 ## JiggleSubtree 21 ## OptSubtree 13 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 82 # jumping subtree containing (T0187)K265 jump= 0.634301 0.0944638 -0.602248 -0.475432 -15.8078 12.2334 -17.1734 # Removing break before 109 # generation 11: best score out of 40: T0187.try1-al10 79.7136 cost/residue, 407 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 49 ## TwoFragment 7 ## CrossOver 2 ## CrossAndInsert 23 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 64 ## ReduceBreak 0 ## CloseGap 7 ## JiggleSubtree 34 ## OptSubtree 18 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 16 # Removing break before 70 # Removing break before 73 # generation 12: best score out of 40: T0187.try1-al10 79.6692 cost/residue, 404 clashes # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 52 ## TwoFragment 7 ## CrossOver 3 ## CrossAndInsert 23 ## ReduceClash 47 ## OneRotamer 0 ## ClashingRotamer 65 ## ReduceBreak 0 ## CloseGap 10 ## JiggleSubtree 46 ## OptSubtree 22 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= -0.980959 0.183074 0.0437076 0.0478779 21.761 -5.81735 -5.10794 # jumping subtree containing (T0187)F309 jump= 0.394833 -0.172872 -0.194977 0.881026 -28.6595 12.4205 6.90099 # Removing break before 90 # Removing break before 80 # Removing break before 64 # Removing break before 50 # Removing break before 90 # Removing break before 60 # generation 13: best score out of 40: T0187.try1-al10 79.0333 cost/residue, 339 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 28 ## InsertFragment 54 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 24 ## ReduceClash 48 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 16 ## JiggleSubtree 52 ## OptSubtree 27 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I248 jump= -0.41533 -0.327411 0.848209 0.0290674 1.59663 27.5262 -6.59697 # Removing break before 64 # Removing break before 85 # Removing break before 64 # Removing break before 64 # Removing break before 123 # Removing break before 64 # generation 14: best score out of 40: T0187.try1-al10 78.873 cost/residue, 340 clashes 0.014529 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 29 ## InsertFragment 60 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 25 ## ReduceClash 49 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 20 ## JiggleSubtree 63 ## OptSubtree 31 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 85 # jumping subtree containing (T0187)F286 jump= -0.948696 0.0628008 0.307982 -0.0343508 20.4092 -5.33858 -21.8102 # Removing break before 114 # jumping subtree containing (T0187)A288 jump= -0.703203 -0.44261 0.120677 -0.543176 -6.07607 -11.8054 -10.6873 # jumping subtree containing (T0187)G323 jump= 0.250489 0.894939 -0.193297 0.314604 27.5874 -4.50011 -28.0934 # jumping subtree containing (T0187)A306 jump= 0.931904 -0.0816734 0.0519317 0.349554 -10.4615 25.9599 1.09508 # generation 15: best score out of 40: T0187.try1-al10 78.873 cost/residue, 340 clashes 0.0145289 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 61 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 27 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 22 ## JiggleSubtree 73 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 143 # jumping subtree containing (T0187)E282 jump= -0.889613 -0.0676618 -0.198499 0.405719 19.397 5.07087 8.66448 # Removing break before 116 # Removing break before 114 # Removing break before 143 # Removing break before 75 # jumping subtree containing (T0187)L276 jump= -0.471203 -0.33656 -0.662992 0.474485 -30.2606 -22.659 -7.95667 # jumping subtree containing (T0187)V317 jump= 0.831833 -0.184042 -0.371252 0.369262 -6.16765 37.3273 -2.53431 # generation 16: best score out of 40: T0187.try1-al10 78.7633 cost/residue, 342 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 63 ## TwoFragment 8 ## CrossOver 4 ## CrossAndInsert 27 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 25 ## JiggleSubtree 83 ## OptSubtree 49 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 135 # Removing break before 143 # Removing break before 64 # jumping subtree containing (T0187)V317 jump= -0.907441 0.310986 -0.164992 -0.229382 -4.33765 23.8363 8.7762 # generation 17: best score out of 40: T0187.try1-al10 78.5999 cost/residue, 338 clashes 0.00700306 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 64 ## TwoFragment 8 ## CrossOver 5 ## CrossAndInsert 27 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 26 ## JiggleSubtree 92 ## OptSubtree 61 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 135 # Removing break before 116 # Removing break before 135 # Removing break before 135 # Removing break before 135 # Removing break before 64 # Removing break before 116 # jumping subtree containing (T0187)V317 jump= -0.884737 0.312075 0.267113 -0.220228 -19.1846 5.02606 10.3483 # generation 18: best score out of 40: T0187.try1-al10 78.5999 cost/residue, 338 clashes 0.00700305 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 31 ## InsertFragment 65 ## TwoFragment 8 ## CrossOver 5 ## CrossAndInsert 28 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 30 ## JiggleSubtree 102 ## OptSubtree 73 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 114 # Removing break before 135 # Removing break before 135 # Removing break before 64 # Removing break before 64 # Removing break before 32 # Removing break before 64 # Removing break before 65 # Removing break before 135 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)A336 jump= 0.936905 -0.0377423 0.14152 0.317421 24.6845 21.2452 -9.04356 # Removing break before 64 # generation 19: best score out of 40: T0187.try1-al10 78.581 cost/residue, 372 clashes 0 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 65 ## TwoFragment 8 ## CrossOver 6 ## CrossAndInsert 28 ## ReduceClash 51 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 31 ## JiggleSubtree 118 ## OptSubtree 82 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing (T0187)I308 jump= 0.836056 0.041278 -0.497006 -0.228673 10.5313 -4.27026 3.21196 # jumping subtree containing (T0187)K265 jump= 0.841105 0.103383 -0.373113 -0.377678 -18.9855 -16.5781 22.0016 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= -0.829147 0.113537 -0.0287226 -0.546626 3.3006 -9.90389 -3.24837 # jumping subtree containing (T0187)M291 jump= -0.771902 0.0259256 0.18435 -0.607874 -10.3906 27.6194 34.7166 # Removing break before 64 # Removing break before 64 # generation 20: best score out of 40: T0187.try1-al10 78.2773 cost/residue, 341 clashes 0.00700306 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 67 ## TwoFragment 8 ## CrossOver 6 ## CrossAndInsert 28 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 31 ## JiggleSubtree 132 ## OptSubtree 93 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 135 # Removing break before 64 # jumping subtree containing (T0187)G201 jump= -0.954603 0.00244824 0.122788 0.271387 40.4971 -20.84 16.3337 # Removing break before 64 # Removing break before 135 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)V314 jump= -0.884151 -0.220566 0.0805684 -0.403901 -25.7208 8.46195 21.6939 # jumping subtree containing (T0187)K265 jump= -0.379528 0.637946 -0.518265 -0.424718 -30.5492 10.5853 -39.8714 # Removing break before 64 # generation 21: best score out of 40: T0187.try1-al10 78.2773 cost/residue, 341 clashes 0.0070031 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 67 ## TwoFragment 8 ## CrossOver 6 ## CrossAndInsert 28 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 33 ## JiggleSubtree 146 ## OptSubtree 105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing (T0187)A336 jump= 0.387365 -0.127996 -0.83823 0.361851 -5.68846 -26.0393 -47.9406 # Removing break before 64 # Removing break before 135 # Removing break before 135 # Removing break before 135 # Removing break before 64 # Removing break before 64 # Removing break before 135 # Removing break before 135 # Removing break before 64 # generation 22: best score out of 40: T0187.try1-al10 78.2773 cost/residue, 341 clashes 0.0070031 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 67 ## TwoFragment 8 ## CrossOver 8 ## CrossAndInsert 29 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 159 ## OptSubtree 115 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)G339 jump= -0.588633 -0.298688 -0.648358 -0.37938 5.68409 5.86198 -55.6029 # jumping subtree containing (T0187)A336 jump= 0.586995 -0.614875 0.435924 0.295527 6.51931 -15.9436 5.31713 # Removing break before 64 # Removing break before 64 # Removing break before 64 # generation 23: best score out of 40: T0187.try1-al10 78.2773 cost/residue, 341 clashes 0.00700317 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 67 ## TwoFragment 8 ## CrossOver 8 ## CrossAndInsert 29 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 173 ## OptSubtree 131 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= 0.970892 -0.171798 0.137101 -0.0951689 -3.98115 -18.7372 6.06849 # Removing break before 64 # jumping subtree containing (T0187)P237 jump= 0.999679 -0.0143314 -0.00203022 0.0207986 14.5966 -12.8259 -9.18717 # Removing break before 64 # jumping subtree containing (T0187)V317 jump= -0.471143 -0.469373 0.54407 -0.511567 7.75593 -18.0907 -16.1431 # generation 24: best score out of 40: T0187.try1-al10 77.9794 cost/residue, 330 clashes 0.0070031 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 32 ## InsertFragment 67 ## TwoFragment 9 ## CrossOver 9 ## CrossAndInsert 30 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 181 ## OptSubtree 144 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)C346 jump= -0.335043 0.204521 -0.588245 0.707026 -26.7051 -14.0333 -39.7945 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)V317 jump= 0.964854 0.214811 -0.121583 0.090166 -7.45647 8.98831 17.6798 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= -0.925932 0.345983 0.150741 0.0149239 4.02325 -0.565707 37.9464 # generation 25: best score out of 40: T0187.try1-al10 77.9794 cost/residue, 330 clashes 0.00700317 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 33 ## InsertFragment 68 ## TwoFragment 9 ## CrossOver 9 ## CrossAndInsert 31 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 35 ## JiggleSubtree 192 ## OptSubtree 157 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G266 jump= 0.760978 0.60154 0.119996 -0.211337 -6.73387 30.5382 -15.7702 # Removing break before 65 # Removing break before 64 # jumping subtree containing (T0187)G266 jump= -0.532601 -0.0791917 -0.567878 -0.622559 -8.15818 15.4958 -15.323 # Removing break before 65 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 65 # Removing break before 65 # generation 26: best score out of 40: T0187.try1-al10 77.8885 cost/residue, 369 clashes 0.0211083 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 33 ## InsertFragment 69 ## TwoFragment 9 ## CrossOver 10 ## CrossAndInsert 31 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 37 ## JiggleSubtree 218 ## OptSubtree 163 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing (T0187)A336 jump= 0.321828 -0.770377 0.411879 -0.365106 31.3012 -13.2273 -33.3593 # jumping subtree containing (T0187)K265 jump= 0.812261 0.506077 -0.114232 -0.266588 -11.8887 -4.09685 -41.0794 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)M291 jump= 0.663758 0.357461 -0.636694 0.162073 28.9134 -1.05676 -16.1226 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)V317 jump= 0.616062 0.698719 0.15868 -0.32723 2.46867 12.3206 -33.6143 # Removing break before 64 # jumping subtree containing (T0187)V317 jump= 0.473685 0.661832 0.0615157 -0.577769 -33.3429 12.3068 -39.977 # Removing break before 64 # generation 27: best score out of 40: T0187.try1-al10 77.8885 cost/residue, 369 clashes 0.0211083 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 33 ## InsertFragment 69 ## TwoFragment 9 ## CrossOver 10 ## CrossAndInsert 31 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 37 ## JiggleSubtree 226 ## OptSubtree 179 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= -0.897283 0.00944836 -0.297173 0.326317 31.9284 -40.9186 -21.9619 # Removing break before 64 # Removing break before 64 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)T224 jump= -0.621216 -0.444003 0.58957 -0.263362 -13.5468 -30.6681 3.76958 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)G201 jump= 0.312471 0.135176 -0.741679 -0.577929 -41.6927 35.8231 -72.9995 # Removing break before 65 # Removing break before 65 # jumping subtree containing (T0187)K265 jump= -0.582593 0.668251 -0.282489 0.366368 3.39668 8.35066 0.86315 # generation 28: best score out of 40: T0187.try1-al10 77.6266 cost/residue, 338 clashes 0.00700311 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 33 ## InsertFragment 70 ## TwoFragment 9 ## CrossOver 10 ## CrossAndInsert 32 ## ReduceClash 53 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 39 ## JiggleSubtree 238 ## OptSubtree 196 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P237 jump= 0.399425 0.669858 -0.24428 0.576261 24.5987 -6.32525 -37.6756 # Removing break before 64 # Removing break before 65 # jumping subtree containing (T0187)G201 jump= 0.994514 0.0307504 -0.0749425 -0.0661737 -26.4719 -21.3326 4.11871 # generation 29: best score out of 40: T0187.try1-al10 77.5859 cost/residue, 364 clashes 0.0352516 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 33 ## InsertFragment 72 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 40 ## JiggleSubtree 250 ## OptSubtree 210 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 90 # Removing break before 90 # Removing break before 64 # Removing break before 90 # Removing break before 64 # jumping subtree containing (T0187)G339 jump= 0.64945 -0.378802 0.361401 0.551465 36.4735 24.3607 -17.7112 # Removing break before 90 # jumping subtree containing (T0187)V317 jump= -0.896627 0.398584 0.173683 -0.0838125 -18.6055 17.5435 22.291 # generation 30: best score out of 40: T0187.try1-al10 77.5859 cost/residue, 364 clashes 0.0352516 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 33 ## InsertFragment 72 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 40 ## JiggleSubtree 266 ## OptSubtree 229 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 65 # jumping subtree containing (T0187)V317 jump= -0.336896 0.295202 -0.767875 -0.457957 29.6993 14.8009 -27.6237 # jumping subtree containing (T0187)V317 jump= -0.153617 0.0872297 0.98376 0.0317704 41.6768 -18.8177 -13.4173 # jumping subtree containing (T0187)V317 jump= 0.163238 0.637132 0.215539 0.721775 18.1602 42.9204 -13.6688 # jumping subtree containing (T0187)G339 jump= 0.649144 -0.144427 -0.722348 -0.189646 -15.7482 22.7827 -4.65672 # Removing break before 65 # Removing break before 65 # jumping subtree containing (T0187)V317 jump= -0.828858 0.363631 -0.404907 0.129678 5.24722 8.17041 -3.80418 # Removing break before 64 # Removing break before 64 # Removing break before 138 # generation 31: best score out of 40: T0187.try1-al10 77.3623 cost/residue, 319 clashes 0.0433038 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 72 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 40 ## JiggleSubtree 279 ## OptSubtree 245 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 65 # jumping subtree containing (T0187)K265 jump= 0.755901 -0.359626 -0.385642 -0.388024 -36.7558 -0.293725 46.7329 # Removing break before 65 # jumping subtree containing (T0187)V317 jump= 0.0848575 -0.156818 0.374683 0.909846 -48.3315 11.3158 -13.1235 # Removing break before 65 # Removing break before 65 # Removing break before 138 # Removing break before 65 # Removing break before 138 # Removing break before 65 # jumping subtree containing (T0187)V317 jump= 0.728836 0.426208 0.22663 0.485576 45.6309 -17.9795 -14.0992 # Removing break before 65 # Removing break before 65 # Removing break before 65 # generation 32: best score out of 40: T0187.try1-al10 77.3623 cost/residue, 319 clashes 0.0433038 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 72 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 43 ## JiggleSubtree 294 ## OptSubtree 256 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= 0.700392 0.454988 -0.549029 -0.0316735 7.96746 -15.0825 25.0038 # jumping subtree containing (T0187)V317 jump= 0.881446 0.453612 -0.0916772 -0.0942575 -1.64027 -23.8806 -1.08101 # jumping subtree containing (T0187)V317 jump= -0.199473 -0.742202 -0.412209 -0.489317 75.461 -18.9319 -60.7867 # jumping subtree containing (T0187)M291 jump= -0.510274 -0.543037 0.333371 -0.577577 -60.9382 -29.3892 4.9059 # jumping subtree containing (T0187)V317 jump= 0.792798 -0.497099 -0.248318 -0.250404 -29.7111 32.8359 -19.9797 # Removing break before 138 # jumping subtree containing (T0187)V317 jump= -0.997791 -0.00152278 -0.0253733 -0.061377 16.2028 -8.58908 21.6892 # generation 33: best score out of 40: T0187.try1-al10 77.3622 cost/residue, 319 clashes 0.0433037 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 72 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 46 ## JiggleSubtree 309 ## OptSubtree 270 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= 0.159123 -0.815583 0.271907 -0.485356 37.7301 -58.1565 -64.6794 # jumping subtree containing (T0187)I335 jump= -0.976612 -0.203781 0.0680382 0.00859206 10.8718 3.5216 18.8984 # jumping subtree containing (T0187)I335 jump= -0.242981 -0.693676 0.678066 0.000234428 -58.5475 -40.6463 -57.2128 # jumping subtree containing (T0187)V317 jump= 0.976913 -0.0135468 -0.147211 -0.154228 13.4084 -37.1361 18.9649 # jumping subtree containing (T0187)K265 jump= -0.845779 0.395319 -0.348103 -0.0848785 -8.995 -8.15275 -2.51689 # jumping subtree containing (T0187)I335 jump= -0.992993 0.0844871 0.052659 0.0636714 17.9666 4.44306 -4.90257 # jumping subtree containing (T0187)M291 jump= -0.988718 0.0974115 0.112788 -0.015079 27.414 7.99953 22.3781 # jumping subtree containing (T0187)M291 jump= 0.890718 0.280215 -0.256084 0.250043 -31.8207 -11.019 25.5193 # jumping subtree containing (T0187)M291 jump= 0.899202 -0.284344 -0.195584 -0.268946 -5.97497 -59.8086 25.7404 # jumping subtree containing (T0187)V317 jump= 0.384694 -0.479528 0.616278 0.492204 -139.422 -66.0018 -6.62186 # generation 34: best score out of 40: T0187.try1-al10 77.3622 cost/residue, 319 clashes 0.0433037 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 72 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 50 ## JiggleSubtree 316 ## OptSubtree 283 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L331 jump= -0.911013 -0.116969 -0.392858 0.0451178 2.33687 -12.19 -6.07814 # jumping subtree containing (T0187)V317 jump= -0.161485 -0.738945 0.641324 0.128789 -97.7413 -97.4492 87.3773 # jumping subtree containing (T0187)V317 jump= -0.592063 -0.564937 0.574582 -0.0127636 -9.08359 -27.2801 72.5523 # jumping subtree containing (T0187)V317 jump= -0.889137 0.222531 0.00777303 0.399818 6.12601 -48.432 13.0392 # Removing break before 64 # jumping subtree containing (T0187)V317 jump= -0.320075 -0.194074 0.759045 0.53267 -156.826 -17.4065 -12.7497 # generation 35: best score out of 40: T0187.try1-al10 77.0226 cost/residue, 320 clashes 0.053116 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 56 ## JiggleSubtree 326 ## OptSubtree 291 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= 0.635768 0.53601 -0.300754 0.466947 -62.7946 -15.7943 94.876 # jumping subtree containing (T0187)V317 jump= -0.787579 -0.169583 -0.524304 0.275801 -33.1815 -53.6486 -108.145 # jumping subtree containing (T0187)R285 jump= -0.77271 -0.594875 -0.221411 0.00450339 21.1425 17.925 24.3247 # jumping subtree containing (T0187)G201 jump= 0.180556 -0.568182 0.793626 0.121352 -115.663 -94.9297 42.2299 # jumping subtree containing (T0187)G201 jump= -0.602137 -0.315859 -0.200922 0.705191 -11.8735 -81.8619 -50.5516 # jumping subtree containing (T0187)V317 jump= 0.898237 -0.179509 -0.299241 -0.26721 -41.512 3.05959 38.0963 # jumping subtree containing (T0187)V317 jump= 0.774981 0.178658 0.495193 0.349671 30.2072 37.3079 -38.5512 # jumping subtree containing (T0187)V317 jump= 0.809924 0.110172 0.202883 0.539189 -115.716 54.1935 -10.8975 # generation 36: best score out of 40: T0187.try1-al10 77.0226 cost/residue, 320 clashes 0.053116 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 55 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 64 ## JiggleSubtree 330 ## OptSubtree 303 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # jumping subtree containing (T0187)K295 jump= -0.0965773 -0.672063 0.578225 0.452395 -58.6007 -28.9522 -40.1734 # jumping subtree containing (T0187)M291 jump= 0.962276 0.0218223 -0.0120265 0.270932 -26.1219 27.7967 18.5302 # jumping subtree containing (T0187)K265 jump= 0.847898 0.325707 0.418308 0.00173876 -25.3275 29.1362 -25.2896 # jumping subtree containing (T0187)K265 jump= 0.752548 -0.0211601 0.609678 0.248026 -48.7387 10.3196 -32.3546 # jumping subtree containing (T0187)V317 jump= -0.55785 -0.259038 0.658301 0.433986 -57.7477 -22.4288 -31.8285 # generation 37: best score out of 40: T0187.try1-al10 76.8762 cost/residue, 362 clashes 0.104106 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 66 ## JiggleSubtree 344 ## OptSubtree 318 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 64 # jumping subtree containing (T0187)V317 jump= 0.708696 -0.33098 0.154633 0.603565 -18.795 -1.93328 -26.957 # jumping subtree containing (T0187)K295 jump= -0.987209 0.123289 -0.0968818 -0.0288632 -13.2437 17.6451 -7.23303 # Removing break before 94 # jumping subtree containing (T0187)V317 jump= -0.975096 -0.0827133 0.204098 0.0262574 -8.41654 -25.3929 -13.0087 # generation 38: best score out of 40: T0187.try1-al10 76.8761 cost/residue, 362 clashes 0.104106 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 9 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 56 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 67 ## JiggleSubtree 351 ## OptSubtree 336 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= -0.725386 -0.521112 -0.39852 -0.208422 0.0334721 40.2782 -3.87543 # jumping subtree containing (T0187)K265 jump= -0.712285 0.243666 -0.124841 -0.646291 -56.0945 82.4855 -18.8911 # jumping subtree containing (T0187)K265 jump= -0.58641 0.503847 -0.482235 -0.411959 -6.68194 54.3147 -42.1055 # jumping subtree containing (T0187)V317 jump= -0.714062 -0.0947703 -0.0997821 0.686424 -74.5661 -36.638 -12.4466 # jumping subtree containing (T0187)V317 jump= -0.366497 0.799217 -0.127196 0.459079 45.9033 25.2648 -50.2658 # jumping subtree containing (T0187)K295 jump= 0.810066 0.457611 -0.135329 0.340692 28.2634 -54.7863 -33.0783 # jumping subtree containing (T0187)K295 jump= -0.343686 0.237318 -0.310718 0.853823 -48.4044 -54.3507 -18.2579 # jumping subtree containing (T0187)V317 jump= 0.656436 0.283548 -0.273999 -0.64313 -75.5995 -35.9478 -14.3045 # jumping subtree containing (T0187)K265 jump= -0.875272 0.279889 -0.39353 0.0263714 -26.8309 -33.5259 -25.3078 # generation 39: best score out of 40: T0187.try1-al10 76.7994 cost/residue, 372 clashes 0.104106 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 10 ## CrossOver 12 ## CrossAndInsert 32 ## ReduceClash 57 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 67 ## JiggleSubtree 364 ## OptSubtree 352 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= -0.640326 -0.422528 -0.349686 0.537747 -26.2806 -46.3613 -60.0818 # jumping subtree containing (T0187)K295 jump= 0.81696 -0.340814 0.426383 0.186064 -20.0679 19.4384 -86.43 # jumping subtree containing (T0187)K295 jump= 0.751167 -0.53571 -0.19434 0.333158 -33.3346 44.9686 -31.1353 # jumping subtree containing (T0187)V317 jump= -0.314918 -0.306654 -0.830395 -0.342396 -101.948 48.0569 -57.0179 # generation 40: best score out of 40: T0187.try1-al10 76.0313 cost/residue, 360 clashes 0.0609086 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 58 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 67 ## JiggleSubtree 379 ## OptSubtree 361 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= 0.290778 0.738286 0.242317 -0.558269 -62.5672 -1.23233 -68.2026 # jumping subtree containing (T0187)K265 jump= 0.707552 0.0851503 0.262948 -0.650367 -32.6757 -3.80607 -15.8873 # jumping subtree containing (T0187)K295 jump= -0.927921 0.121416 0.139311 0.323749 -16.215 -11.957 -11.7372 # jumping subtree containing (T0187)K265 jump= 0.666405 0.30237 0.68151 0.00470092 -26.2092 -6.77549 -49.5022 # generation 41: best score out of 40: T0187.try1-al10 76.0313 cost/residue, 360 clashes 0.0609086 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 70 ## JiggleSubtree 394 ## OptSubtree 375 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= -0.9563 -0.233273 0.149638 0.0931791 -15.3644 -20.8294 28.5318 # jumping subtree containing (T0187)V317 jump= 0.373842 -0.67862 -0.351319 -0.525636 -20.1914 16.0468 -6.70977 # jumping subtree containing (T0187)K295 jump= 0.764349 -0.481764 0.303757 -0.302335 6.82467 -45.7014 -44.555 # jumping subtree containing (T0187)K295 jump= 0.311845 -0.700698 0.234949 -0.597139 1.12202 -26.6087 -11.5609 # jumping subtree containing (T0187)K295 jump= -0.29605 -0.236095 -0.923863 0.0556007 -65.8196 -5.30708 -64.5576 # generation 42: best score out of 40: T0187.try1-al10 75.6825 cost/residue, 359 clashes 0.0449946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 72 ## JiggleSubtree 411 ## OptSubtree 391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= -0.694455 -0.0778162 0.554816 -0.451504 -102.526 13.0324 41.1657 # jumping subtree containing (T0187)G319 jump= 0.800984 -0.512341 0.297526 0.0860779 -9.38915 27.1767 -45.3578 # jumping subtree containing (T0187)G201 jump= -0.899096 -0.338891 -0.11289 0.253053 9.67162 -55.1524 -27.3972 # jumping subtree containing (T0187)N320 jump= 0.926007 0.0924602 -0.356885 -0.0812087 -35.0811 0.363206 2.97959 # Removing break before 94 # jumping subtree containing (T0187)K295 jump= 0.992411 0.0999549 0.0507512 -0.050532 -8.25238 5.43111 -17.9917 # generation 43: best score out of 40: T0187.try1-al10 75.6824 cost/residue, 359 clashes 0.0449945 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 73 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 76 ## JiggleSubtree 424 ## OptSubtree 406 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= -0.950168 0.266884 -0.0163845 -0.160269 -9.61952 40.6063 -36.1585 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= 0.205244 -0.853443 -0.0319547 0.478004 -92.5663 10.3908 -133.062 # jumping subtree containing (T0187)K265 jump= -0.403411 -0.69965 0.345051 -0.478214 -54.1605 -13.6222 84.3223 # jumping subtree containing (T0187)K295 jump= -0.820103 0.0987362 0.380385 0.41592 -47.216 -16.6047 47.0402 # jumping subtree containing (T0187)N320 jump= -0.765587 0.3423 0.242148 -0.487925 -36.2787 67.8254 5.48395 # jumping subtree containing (T0187)K265 jump= 0.00963222 -0.169527 -0.026997 0.985109 -150.086 -21.6838 -47.7087 # jumping subtree containing (T0187)N320 jump= -0.50755 0.218032 0.826198 0.11069 -104.222 -3.96285 29.6065 # generation 44: best score out of 40: T0187.try1-al10 75.6402 cost/residue, 346 clashes 0.0449945 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 74 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 32 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 77 ## JiggleSubtree 438 ## OptSubtree 420 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= 0.162727 0.0914677 -0.280216 0.941612 -96.1611 -21.0442 13.558 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= 0.98837 -0.0294877 -0.0945251 0.115416 -2.27083 41.2999 22.1415 # jumping subtree containing (T0187)K265 jump= -0.119904 0.0844505 -0.647043 0.748215 -141.784 -88.7355 -42.3824 # jumping subtree containing (T0187)K265 jump= 0.149174 0.414032 0.460461 0.770909 -90.9344 -33.9729 78.6013 # jumping subtree containing (T0187)N320 jump= 0.262739 -0.676041 -0.46163 0.51072 -57.2852 58.718 -45.7539 # jumping subtree containing (T0187)K265 jump= 0.153224 -0.397392 -0.547923 0.719988 -147.451 12.549 -57.7497 # generation 45: best score out of 40: T0187.try1-al10 75.586 cost/residue, 367 clashes 0.0449946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 34 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 82 ## JiggleSubtree 443 ## OptSubtree 432 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= -0.442278 -0.0573784 0.649519 0.615811 -123.237 -17.385 0.84249 # jumping subtree containing (T0187)K295 jump= 0.384309 0.616055 0.0318732 0.686853 19.2172 43.1721 2.72593 # generation 46: best score out of 40: T0187.try1-al10 75.586 cost/residue, 367 clashes 0.0449945 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 34 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 84 ## JiggleSubtree 459 ## OptSubtree 448 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= 0.654323 -0.358227 -0.664332 -0.0468812 -79.2803 36.9982 -11.9946 # jumping subtree containing (T0187)K295 jump= 0.309454 0.457739 -0.582084 0.596566 -69.8471 -53.331 3.83543 # jumping subtree containing (T0187)K265 jump= -0.700493 -0.062641 0.670836 -0.235297 -112.132 -16.6381 18.1082 # jumping subtree containing (T0187)G323 jump= 0.852811 -0.162478 -0.47386 -0.147547 -63.5349 14.7975 31.1835 # Removing break before 64 # jumping subtree containing (T0187)M291 jump= 0.559482 0.261649 0.783756 -0.0651678 -59.7208 7.215 -98.1962 # jumping subtree containing (T0187)G201 jump= -0.802166 -0.112197 -0.47663 0.341711 -35.3155 -48.4831 -90.0651 # jumping subtree containing (T0187)T350 jump= -0.747346 -0.0180409 -0.438877 -0.498534 -36.8203 63.7781 -75.6942 # generation 47: best score out of 40: T0187.try1-al10 75.5859 cost/residue, 367 clashes 0.0449946 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 34 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 89 ## JiggleSubtree 473 ## OptSubtree 463 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= -0.849141 -0.123277 -0.0711963 -0.508618 -15.9552 -3.99535 2.75876 # jumping subtree containing (T0187)K265 jump= 0.537629 -0.344763 -0.65423 -0.405064 -53.1195 -7.17705 66.1816 # jumping subtree containing (T0187)T350 jump= 0.911227 0.235496 -0.303038 -0.149585 -41.3762 -37.8007 24.803 # jumping subtree containing (T0187)K295 jump= 0.133695 0.358271 -0.672322 -0.633838 -197.394 -19.7477 -85.9106 # jumping subtree containing (T0187)K295 jump= 0.996937 -0.0641302 -0.0354123 0.0273712 25.2951 -0.680657 3.06879 # jumping subtree containing (T0187)T350 jump= 0.150853 -0.154678 -0.0629225 0.97435 -74.332 -17.1036 -21.1981 # jumping subtree containing (T0187)K265 jump= -0.961051 0.0848056 0.215667 0.150587 13.4471 -30.8189 25.5976 # jumping subtree containing (T0187)E257 jump= -0.215576 -0.899254 -0.327768 0.193486 14.1859 -32.8779 -63.5287 # Removing break before 94 # Removing break before 64 # generation 48: best score out of 40: T0187.try1-al10 75.5859 cost/residue, 367 clashes 0.0449945 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 34 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 90 ## JiggleSubtree 480 ## OptSubtree 481 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= -0.99125 -0.060779 0.105846 -0.0502508 -17.1008 -14.5392 -12.075 # jumping subtree containing (T0187)K295 jump= -0.43639 -0.0238744 0.766893 0.469967 -80.1118 -15.0352 0.721939 # jumping subtree containing (T0187)N320 jump= -0.863115 0.0527688 -0.454832 -0.213013 -7.15058 19.3171 -60.1439 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= -0.827677 -0.100895 0.428958 -0.347513 -36.6421 40.1715 40.0161 # jumping subtree containing (T0187)K295 jump= 0.0718577 -0.577859 -0.207109 -0.786143 -54.1459 10.433 42.2919 # jumping subtree containing (T0187)K265 jump= -0.886548 0.379364 0.239945 0.111988 -10.4631 -15.7351 38.3382 # generation 49: best score out of 40: T0187.try1-al10 75.5858 cost/residue, 367 clashes 0.0449947 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 14 ## CrossAndInsert 34 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 96 ## JiggleSubtree 486 ## OptSubtree 493 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= -0.740958 0.137644 -0.258067 -0.604513 -41.1658 57.214 -38.5001 # jumping subtree containing (T0187)K295 jump= 0.986295 0.164781 -0.00300161 -0.0078349 8.69485 -18.8163 1.72189 # jumping subtree containing (T0187)K295 jump= 0.700426 -0.188045 -0.0239258 -0.688091 -72.7662 -108.585 12.8293 # generation 50: best score out of 40: T0187.try1-al10 75.5847 cost/residue, 368 clashes 0.0449947 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 15 ## CrossAndInsert 35 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 106 ## JiggleSubtree 489 ## OptSubtree 502 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I232 jump= 0.771811 -0.377754 -0.034113 -0.510339 -51.9627 -85.0771 16.1446 # jumping subtree containing (T0187)G201 jump= 0.639076 -0.523785 0.519149 -0.218438 -27.5644 -37.6561 -15.8148 # jumping subtree containing (T0187)N320 jump= -0.08106 -0.342527 0.91375 -0.202893 -132.854 -55.2458 -27.3137 # jumping subtree containing (T0187)F286 jump= -0.812799 0.252855 -0.107181 -0.513746 -80.0527 57.3288 -19.7711 # jumping subtree containing (T0187)G201 jump= -0.902318 -0.0092017 0.277038 -0.330134 -2.37851 42.8194 25.7672 # jumping subtree containing (T0187)G201 jump= 0.761695 -0.619935 -0.187984 0.0127982 -5.86015 20.0506 42.8337 # jumping subtree containing (T0187)T350 jump= 0.646748 -0.253206 -0.608988 0.383063 -80.9706 56.371 30.0163 # jumping subtree containing (T0187)K295 jump= 0.886272 -0.322585 0.315009 -0.105968 -25.6543 -34.1787 -57.5746 # jumping subtree containing (T0187)T350 jump= 0.44928 -0.0999873 -0.108058 0.881178 -126.261 -27.3451 -20.9854 # jumping subtree containing (T0187)K295 jump= 0.9603 -0.00631487 0.0188197 0.278262 -22.4974 1.5249 0.0351095 # generation 51: best score out of 40: T0187.try1-al10 75.5692 cost/residue, 367 clashes 0.0454989 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 15 ## CrossAndInsert 35 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 107 ## JiggleSubtree 509 ## OptSubtree 512 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N320 jump= -0.989172 0.108683 -0.0982194 -0.0088822 -18.0164 -4.88106 -21.5762 # jumping subtree containing (T0187)K295 jump= -0.684104 0.333302 0.045704 0.647165 -65.0467 -87.8004 11.807 # jumping subtree containing (T0187)K265 jump= -0.809201 -0.309568 0.0452523 -0.497307 -55.4495 55.7292 23.7486 # jumping subtree containing (T0187)K265 jump= 0.163574 -0.16354 -0.725448 -0.648247 -158.904 -5.37936 50.8808 # Removing break before 94 # jumping subtree containing (T0187)K295 jump= -0.754855 -0.2867 -0.58987 -0.00708087 -2.29327 2.31117 -105.421 # jumping subtree containing (T0187)N320 jump= 0.490509 -0.498621 0.646893 -0.303822 -61.6056 -82.0054 -28.1665 # generation 52: best score out of 40: T0187.try1-al10 75.526 cost/residue, 368 clashes 0.0459754 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 17 ## CrossAndInsert 35 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 110 ## JiggleSubtree 525 ## OptSubtree 526 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A203 jump= -0.0310881 -0.384483 -0.850888 0.356644 -123.021 57.2161 -31.8673 # Removing break before 64 # jumping subtree containing (T0187)T350 jump= 0.926049 0.210349 -0.238165 0.203627 -34.6504 -25.8473 24.2506 # jumping subtree containing (T0187)T350 jump= 0.73998 -0.591922 -0.286325 0.141689 -43.3338 79.2176 21.2485 # jumping subtree containing (T0187)K295 jump= 0.832784 -0.0638606 0.403588 -0.373509 -15.6775 -71.1234 -57.7482 # jumping subtree containing (T0187)K265 jump= -0.600973 0.224481 -0.611722 -0.462855 -136.419 36.805 -104.705 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)K295 jump= 0.997273 0.0500822 -0.0384488 -0.0382129 -16.632 -29.3745 -10.3475 # jumping subtree containing (T0187)K295 jump= 0.536957 -0.736965 0.0296281 -0.40949 -20.0815 -24.8282 13.4384 # Removing break before 94 # generation 53: best score out of 40: T0187.try1-al10 75.5259 cost/residue, 368 clashes 0.0459752 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 17 ## CrossAndInsert 35 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 119 ## JiggleSubtree 536 ## OptSubtree 539 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.176245 0.0457661 -0.390799 -0.902286 -148.348 39.0812 -9.85553 # jumping subtree containing (T0187)A203 jump= 0.659334 0.596191 -0.324853 0.322964 -22.3277 -1.64971 42.4675 # Removing break before 94 # jumping subtree containing (T0187)A203 jump= 0.936804 -0.0618944 0.343696 0.0210067 15.1617 9.10264 -25.3645 # jumping subtree containing (T0187)N320 jump= 0.973078 -0.0199697 -0.0718574 -0.218074 -24.226 -22.389 10.2778 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= -0.96674 -0.0539149 0.0576872 0.243267 3.47835 7.79189 3.49894 # Removing break before 94 # jumping subtree containing (T0187)K295 jump= -0.713038 0.34465 -0.374835 -0.481967 -57.9775 96.2842 -83.7611 # jumping subtree containing (T0187)T350 jump= 0.109052 0.429933 0.895391 0.0392506 -105.866 20.342 0.460283 # Removing break before 94 # generation 54: best score out of 40: T0187.try1-al10 75.5259 cost/residue, 368 clashes 0.0459754 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 17 ## CrossAndInsert 35 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 126 ## JiggleSubtree 547 ## OptSubtree 556 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.325021 -0.468024 0.732561 0.372383 -69.7443 -33.328 18.7946 # jumping subtree containing (T0187)T350 jump= -0.998066 0.0560992 0.00656521 -0.0259592 23.2215 9.78094 18.7113 # jumping subtree containing (T0187)T350 jump= -0.993199 0.0707902 -0.0358594 0.0852018 -6.8025 -7.44095 7.24501 # jumping subtree containing (T0187)K265 jump= 0.734685 -0.655215 -0.174273 -0.0236601 -10.8828 50.0555 35.9013 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= 0.185268 -0.0262071 -0.940759 0.282773 -183.073 -8.03584 23.647 # jumping subtree containing (T0187)K265 jump= -0.356446 0.815708 0.426579 0.159992 -25.0721 8.89529 105.309 # generation 55: best score out of 40: T0187.try1-al10 75.4134 cost/residue, 410 clashes 0.0459752 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 35 ## InsertFragment 75 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 36 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 130 ## JiggleSubtree 557 ## OptSubtree 570 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.800597 0.139221 -0.208549 0.544214 -53.9972 -35.5606 -20.7119 # jumping subtree containing (T0187)T350 jump= 0.918556 -0.230688 -0.310761 -0.0804116 0.372698 -26.5739 51.6559 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)A203 jump= -0.423542 -0.760122 0.347745 0.349141 18.764 -40.9053 53.5543 # generation 56: best score out of 40: T0187.try1-al10 75.4134 cost/residue, 410 clashes 0.0459752 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 76 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 36 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 134 ## JiggleSubtree 561 ## OptSubtree 587 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.976528 -0.0924009 -0.0493857 -0.188192 7.48814 -46.3713 21.5077 # Removing break before 64 # Removing break before 94 # jumping subtree containing (T0187)N320 jump= -0.0269607 -0.353642 0.566641 0.743726 -125.199 -28.3159 -73.3828 # jumping subtree containing (T0187)L301 jump= 0.999799 -0.00981091 0.00682897 0.0160813 -3.58764 -15.9718 -3.91937 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= 0.789134 -0.420989 -0.394961 0.20986 -56.6975 59.231 37.2256 # jumping subtree containing (T0187)N320 jump= 0.502113 -0.576834 0.383002 -0.518126 -27.6601 -34.5543 16.4763 # generation 57: best score out of 40: T0187.try1-al10 75.4134 cost/residue, 410 clashes 0.0459753 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 76 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 36 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 137 ## JiggleSubtree 572 ## OptSubtree 606 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 64 # Removing break before 94 # Removing break before 64 # jumping subtree containing (T0187)N320 jump= 0.981922 0.00612826 -0.144521 0.12209 -4.59103 -11.1765 24.2809 # jumping subtree containing (T0187)K265 jump= 0.0522802 0.880642 -0.274291 0.382753 7.33486 36.0684 44.7613 # Removing break before 64 # jumping subtree containing (T0187)A203 jump= 0.631509 -0.0606211 -0.772746 0.0196405 -102.418 14.5491 74.3115 # generation 58: best score out of 40: T0187.try1-al10 75.3929 cost/residue, 410 clashes 0.0607805 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 36 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 145 ## JiggleSubtree 580 ## OptSubtree 614 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= -0.399078 0.283321 0.372389 -0.788538 -138.134 144.688 -4.02869 # Removing break before 64 # jumping subtree containing (T0187)A203 jump= 0.90214 0.386968 0.0216816 0.189549 2.9498 53.1484 1.53474 # jumping subtree containing (T0187)K295 jump= 0.918278 -0.293438 0.0724884 -0.255744 -7.14127 -24.4436 2.84241 # jumping subtree containing (T0187)K265 jump= -0.482334 0.445304 0.703967 0.271087 -166.205 101.676 38.9145 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= -0.96348 -0.0394133 -0.245516 0.0993721 7.73555 -22.0578 -76.0384 # jumping subtree containing (T0187)C346 jump= 0.552713 0.545014 -0.110633 -0.620667 -133.777 -48.6039 -79.758 # Removing break before 64 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= -0.99845 0.00275537 0.0209486 -0.0514945 -6.35533 22.8662 -18.0655 # generation 59: best score out of 40: T0187.try1-al10 75.3928 cost/residue, 410 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 36 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 149 ## JiggleSubtree 594 ## OptSubtree 626 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 64 # jumping subtree containing (T0187)N320 jump= -0.24717 -0.632173 0.729186 0.0868988 -83.7726 -50.4368 -65.0056 # jumping subtree containing (T0187)K265 jump= 0.0386342 -0.58266 0.203351 -0.785916 -156.794 -46.8757 111.183 # Removing break before 64 # jumping subtree containing (T0187)A203 jump= 0.93084 0.349112 -0.0111047 0.107395 -11.2845 -13.0881 0.445192 # jumping subtree containing (T0187)I287 jump= 0.0980344 0.434957 -0.779466 -0.440039 -105.447 7.73031 -102.107 # jumping subtree containing (T0187)N320 jump= -0.467706 0.65837 -0.530098 0.258448 -42.8072 -48.8305 -68.5643 # generation 60: best score out of 40: T0187.try1-al10 75.3928 cost/residue, 410 clashes 0.0607807 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 36 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 152 ## JiggleSubtree 606 ## OptSubtree 642 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= 0.361464 -0.785727 0.146753 -0.480042 -8.66928 33.526 14.5077 # jumping subtree containing (T0187)I287 jump= -0.492557 -0.00982334 -0.823221 0.282131 -111.749 -53.9314 -118.718 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)N320 jump= 0.997711 0.0575756 -0.0349148 -0.00624601 16.0953 -7.84275 15.7936 # Removing break before 64 # Removing break before 86 # generation 61: best score out of 40: T0187.try1-al10 75.3928 cost/residue, 410 clashes 0.0607807 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 10 ## CrossOver 18 ## CrossAndInsert 36 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 161 ## JiggleSubtree 612 ## OptSubtree 655 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)N320 jump= 0.994924 -0.0890796 0.0394083 0.0252465 16.9808 -16.1989 1.50681 # jumping subtree containing (T0187)I287 jump= -0.714772 0.28343 -0.511375 0.383749 -37.091 -46.8785 -31.9455 # Removing break before 64 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= 0.818843 -0.360861 -0.349435 0.277795 -70.5499 52.1744 11.8419 # Removing break before 94 # generation 62: best score out of 40: T0187.try1-al10 75.3576 cost/residue, 359 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 37 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 170 ## JiggleSubtree 614 ## OptSubtree 666 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)L214 jump= -0.762248 0.630475 -0.0274968 -0.143956 -3.52584 70.4001 -28.9588 # Removing break before 94 # jumping subtree containing (T0187)I287 jump= -0.841225 -0.472266 0.0451644 -0.259357 2.65579 44.2913 5.26322 # jumping subtree containing (T0187)K265 jump= -0.706022 0.0214883 -0.681516 0.191328 -63.6875 -33.0743 -76.5891 # Removing break before 94 # Removing break before 64 # jumping subtree containing (T0187)N320 jump= -0.364279 -0.213192 -0.627231 -0.654547 -85.2164 114.31 -60.7301 # generation 63: best score out of 40: T0187.try1-al10 75.3576 cost/residue, 359 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 37 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 174 ## JiggleSubtree 627 ## OptSubtree 674 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K265 jump= -0.860973 -0.0723873 0.269848 0.425051 -92.4415 -47.0961 -7.56157 # jumping subtree containing (T0187)I335 jump= 0.245295 -0.307318 -0.855171 0.337741 -170.107 89.8973 14.3044 # Removing break before 64 # jumping subtree containing (T0187)I335 jump= -0.889802 0.012878 -0.0195209 0.455747 -25.4531 -81.2313 2.36631 # jumping subtree containing (T0187)R299 jump= 0.916009 -0.379175 0.0939454 0.0912552 14.3101 22.9032 8.40448 # jumping subtree containing (T0187)L214 jump= -0.572167 0.5479 0.592493 -0.146228 -85.2175 115.466 5.55488 # jumping subtree containing (T0187)L214 jump= 0.118454 -0.486974 -0.658326 -0.561633 -119.828 76.2369 9.91372 # Removing break before 86 # Removing break before 64 # Removing break before 64 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= 0.987285 -0.134558 -0.0561548 -0.0633229 -4.71275 28.9545 22.9332 # jumping subtree containing (T0187)K265 jump= -0.549364 -0.16234 -0.175241 0.80071 -183.06 -17.2722 -29.6524 # jumping subtree containing (T0187)L214 jump= 0.72895 0.252406 0.43415 -0.465227 -87.0869 -32.9243 -65.1895 # jumping subtree containing (T0187)A283 jump= 0.356431 -0.565419 -0.695088 -0.264783 -109.045 111.181 -44.1566 # Removing break before 94 # generation 64: best score out of 40: T0187.try1-al10 75.0911 cost/residue, 365 clashes 0.0607807 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 77 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 38 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 178 ## JiggleSubtree 635 ## OptSubtree 693 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.647927 0.738954 0.0661543 -0.172515 9.71003 74.0698 -9.56363 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.868452 0.059193 -0.21465 0.442959 -47.3321 80.984 24.2225 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.834819 0.321865 0.421223 0.148498 -30.5581 16.7352 -68.4721 # Removing break before 64 # jumping subtree containing (T0187)L301 jump= 0.277122 0.163251 -0.440744 0.838032 -138.202 9.01176 41.0241 # jumping subtree containing (T0187)K265 jump= 0.627687 0.133111 0.160087 0.750109 -35.1337 138.678 -22.4821 # jumping subtree containing (T0187)K265 jump= -0.685651 -0.725259 0.0366809 0.0503537 -1.67537 0.349472 -81.6232 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.837454 0.0803389 0.356501 0.406354 -72.2018 -29.0247 26.7668 # generation 65: best score out of 40: T0187.try1-al10 75.0908 cost/residue, 365 clashes 0.0607804 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 78 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 39 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 185 ## JiggleSubtree 645 ## OptSubtree 705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= -0.469054 0.239425 0.658543 0.537573 -75.4469 -12.3131 40.2779 # jumping subtree containing (T0187)T313 jump= 0.642132 0.54931 -0.338201 -0.41418 -63.9228 -63.6192 -47.4214 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)R299 jump= 0.77501 0.116624 -0.591845 -0.188353 -98.5659 -17.9786 12.7834 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)A203 jump= -0.998589 0.0192563 0.0491864 0.00555611 -24.988 -12.4852 23.441 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.871095 0.153434 0.41401 -0.215051 -62.6057 37.9304 66.8038 # generation 66: best score out of 40: T0187.try1-al10 75.0907 cost/residue, 365 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 78 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 39 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 188 ## JiggleSubtree 661 ## OptSubtree 720 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.194289 -0.938352 0.267062 -0.102104 -0.727678 -34.0513 -56.0383 # jumping subtree containing (T0187)I287 jump= -0.161004 -0.177452 0.316448 -0.917851 -113.802 -3.98704 34.1027 # jumping subtree containing (T0187)N320 jump= 0.634122 0.0586942 -0.429223 -0.640478 -99.2181 -11.9177 20.1009 # jumping subtree containing (T0187)L301 jump= -0.96923 0.0120931 -0.0737877 -0.234524 9.38159 13.5119 -21.3246 # jumping subtree containing (T0187)K265 jump= -0.233912 -0.0879343 -0.165392 -0.954043 -175.17 52.6868 19.451 # jumping subtree containing (T0187)A283 jump= 0.599864 -0.52909 0.368171 -0.474001 -35.6037 -78.4477 -10.4781 # Removing break before 94 # jumping subtree containing (T0187)I335 jump= 0.113977 -0.0606685 -0.306056 0.943217 -119.724 10.659 -24.1749 # generation 67: best score out of 40: T0187.try1-al10 75.0907 cost/residue, 365 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 78 ## TwoFragment 10 ## CrossOver 19 ## CrossAndInsert 39 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 202 ## JiggleSubtree 664 ## OptSubtree 730 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A203 jump= 0.252851 -0.643649 -0.33921 0.637745 -103.061 75.8892 -61.7678 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= 0.862558 -0.325277 -0.127241 0.366057 -48.0928 68.1391 -3.59201 # Removing break before 94 # jumping subtree containing (T0187)T313 jump= 0.979368 0.0849175 -0.132901 0.126351 13.3912 3.31788 37.5415 # jumping subtree containing (T0187)K265 jump= 0.739845 -0.549449 0.388084 0.0112139 -40.1444 -48.559 -74.2632 # jumping subtree containing (T0187)N320 jump= -0.363137 -0.290433 0.880594 0.0912942 -81.2156 -27.6897 -17.943 # Removing break before 64 # jumping subtree containing (T0187)T313 jump= 0.767875 -0.236471 0.246681 0.541848 -73.348 87.4766 -66.1574 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.936678 0.319326 -0.0599576 -0.130652 -4.51528 18.4702 -34.0484 # generation 68: best score out of 40: T0187.try1-al10 75.0907 cost/residue, 365 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 78 ## TwoFragment 10 ## CrossOver 20 ## CrossAndInsert 39 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 213 ## JiggleSubtree 666 ## OptSubtree 740 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.731881 0.431549 -0.104554 -0.516899 -57.9201 -93.0746 -32.3536 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= 0.982128 0.0910319 -0.147317 0.0737187 -6.72923 3.78333 -6.61588 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)I335 jump= 0.463243 -0.0733475 0.730159 -0.496884 -212.606 -30.7079 -39.7603 # jumping subtree containing (T0187)I335 jump= 0.998174 -0.0562807 0.000196377 0.0219418 24.7865 4.48475 8.00756 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= -0.591943 -0.256224 -0.644307 0.410878 -118.105 -24.8507 -83.5711 # generation 69: best score out of 40: T0187.try1-al10 75.0907 cost/residue, 365 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 78 ## TwoFragment 10 ## CrossOver 20 ## CrossAndInsert 39 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 221 ## JiggleSubtree 673 ## OptSubtree 749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)P237 jump= 0.625178 0.0287929 0.776993 -0.0678682 -150.99 12.5537 -98.234 # jumping subtree containing (T0187)L301 jump= -0.10306 -0.916951 -0.151422 -0.354472 -27.4061 54.2106 38.494 # jumping subtree containing (T0187)I232 jump= -0.589583 -0.128449 -0.035735 0.796628 -73.9828 -86.5535 -0.225256 # Removing break before 64 # jumping subtree containing (T0187)A280 jump= -0.995838 -0.0763267 0.00102836 0.0497917 -10.4347 -20.5577 7.74905 # Removing break before 64 # jumping subtree containing (T0187)I335 jump= 0.410343 0.0936101 -0.302942 -0.855033 -125.703 -37.8364 16.7897 # Removing break before 94 # Removing break before 94 # generation 70: best score out of 40: T0187.try1-al10 75.0906 cost/residue, 365 clashes 0.0607806 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 78 ## TwoFragment 10 ## CrossOver 20 ## CrossAndInsert 39 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 229 ## JiggleSubtree 677 ## OptSubtree 761 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.870859 0.175725 0.426564 -0.169611 -24.1591 -36.4421 -64.4513 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.959889 0.00758863 0.27845 0.0319612 -35.7056 -21.2685 26.2307 # jumping subtree containing (T0187)K265 jump= -0.682174 0.705519 -0.122109 0.148226 -9.39843 5.53202 23.1536 # jumping subtree containing (T0187)T350 jump= -0.890926 -0.326301 -0.000266806 -0.315878 -41.677 75.598 38.9097 # jumping subtree containing (T0187)I287 jump= 0.808057 -0.547147 0.141914 -0.165934 34.3903 6.00171 -14.4962 # jumping subtree containing (T0187)I287 jump= 0.96136 0.0983957 -0.118794 0.228022 -14.7275 43.9031 33.0185 # Removing break before 94 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= 0.332908 -0.852448 0.0183556 -0.4027 -13.1353 -49.7208 36.4372 # Removing break before 86 # Removing break before 64 # generation 71: best score out of 40: T0187.try1-al10 74.9753 cost/residue, 424 clashes 0.0607807 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 79 ## TwoFragment 10 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 234 ## JiggleSubtree 678 ## OptSubtree 775 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 135 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= 0.970709 -0.0754815 -0.176556 -0.144411 -39.6006 -22.255 31.8788 # Removing break before 94 # jumping subtree containing (T0187)I287 jump= -0.828501 -0.0200615 -0.539286 0.149511 -3.62526 -4.57833 -109.428 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= 0.900898 0.0534987 -0.0743684 0.424253 -25.4219 48.0715 -0.886498 # Removing break before 64 # jumping subtree containing (T0187)K295 jump= -1 -0.00014574 0.000591805 5.9736e-05 1.44717 -2.54238 -19.0356 # jumping subtree containing (T0187)I287 jump= -0.672554 0.441703 0.0469397 -0.591917 -92.2024 107.159 -74.1025 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= -0.420852 -0.835762 -0.346803 0.0641304 -52.8617 66.3209 -112.788 # generation 72: best score out of 40: T0187.try1-al10 74.9752 cost/residue, 424 clashes 0.0607807 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 81 ## TwoFragment 10 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 236 ## JiggleSubtree 694 ## OptSubtree 787 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E218 jump= 0.0206527 -0.682129 -0.703108 0.199784 -112.121 144.434 35.2317 # jumping subtree containing (T0187)T313 jump= 0.134994 0.427677 0.590463 -0.670986 -139.741 10.3474 -67.8278 # jumping subtree containing (T0187)I335 jump= 0.8058 -0.340196 -0.482058 -0.0507342 -73.5449 17.5273 70.4872 # jumping subtree containing (T0187)T350 jump= 0.672419 0.456713 -0.2829 0.509149 -77.0562 50.2767 78.3776 # jumping subtree containing (T0187)K265 jump= 0.999436 0.0190266 0.0201279 -0.0189671 20.6597 -14.227 12.164 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= -0.909166 -0.301639 -0.194682 0.21102 -35.8836 -28.4246 -61.8513 # Removing break before 94 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= 0.604477 -0.182248 -0.693349 0.347362 -190.536 87.3376 72.333 # jumping subtree containing (T0187)R299 jump= 0.980683 -0.161574 0.10628 0.0293085 -11.8435 6.21832 -5.35866 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.928229 -0.190346 0.196118 -0.252383 -43.7269 60.2289 58.6125 # generation 73: best score out of 40: T0187.try1-al10 74.9752 cost/residue, 424 clashes 0.0607807 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 81 ## TwoFragment 10 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 240 ## JiggleSubtree 707 ## OptSubtree 808 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.894073 -0.434266 0.0973522 -0.0506941 10.9413 -0.499689 -27.451 # jumping subtree containing (T0187)A203 jump= -0.957151 0.124769 -0.259118 0.0339581 -17.4755 -32.8564 -61.1849 # jumping subtree containing (T0187)K265 jump= -0.81178 0.493088 0.195267 -0.244435 -48.6714 102.218 -6.67857 # Removing break before 94 # Removing break before 94 # generation 74: best score out of 40: T0187.try1-al10 74.7761 cost/residue, 414 clashes 0.0732496 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 83 ## TwoFragment 10 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 248 ## JiggleSubtree 713 ## OptSubtree 821 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R299 jump= -0.793658 0.407682 0.125655 0.433719 -25.4299 -54.3461 68.3429 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= 0.949938 -0.0578696 -0.125095 -0.280392 -29.1883 -48.7002 13.4599 # jumping subtree containing (T0187)T350 jump= 0.985839 0.0460569 -0.00264646 -0.161225 7.1097 -30.2772 10.6815 # jumping subtree containing (T0187)R299 jump= -0.684339 -0.634821 0.348845 0.0836079 -40.4997 -52.7467 57.9683 # jumping subtree containing (T0187)I287 jump= -0.449231 -0.634512 -0.55768 -0.290825 -130.759 135.762 5.06302 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.33622 0.266456 0.522106 -0.737131 -226.597 29.2304 -38.886 # jumping subtree containing (T0187)K265 jump= 0.995896 0.0752991 -0.0278636 0.0417808 1.98624 -11.4439 6.00672 # Removing break before 64 # jumping subtree containing (T0187)I287 jump= -0.99779 -0.04958 -0.0274456 0.0346882 -12.0482 -8.17185 14.8004 # jumping subtree containing (T0187)K265 jump= -0.938007 -0.0474553 0.192596 0.28425 -41.7925 -79.2131 25.4831 # Removing break before 94 # Removing break before 86 # Removing break before 64 # jumping subtree containing (T0187)T313 jump= 0.982715 0.0471822 -0.165584 -0.0680157 9.37936 -32.9955 28.2846 # generation 75: best score out of 40: T0187.try1-al10 74.7761 cost/residue, 414 clashes 0.0732499 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 83 ## TwoFragment 10 ## CrossOver 21 ## CrossAndInsert 41 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 252 ## JiggleSubtree 724 ## OptSubtree 836 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.994996 0.0431031 0.0897408 -0.00840939 6.72291 -19.1991 34.2208 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= 0.784867 -0.355604 0.168098 -0.478825 -69.9695 -89.1463 15.6063 # jumping subtree containing (T0187)K265 jump= -0.973755 0.109424 -0.0212943 0.198429 -30.9017 -54.6901 -6.55163 # jumping subtree containing (T0187)K265 jump= 0.546342 0.397478 -0.555892 0.484258 -152.448 -37.4304 90.6949 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.246291 0.146145 -0.858168 -0.426063 -246.601 1.89422 -50.8559 # Removing break before 86 # Removing break before 64 # jumping subtree containing (T0187)K265 jump= 0.455513 -0.624975 0.0634275 -0.630786 -102.243 -49.9678 84.2849 # Removing break before 94 # generation 76: best score out of 40: T0187.try1-al10 74.7758 cost/residue, 414 clashes 0.0732497 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 83 ## TwoFragment 10 ## CrossOver 22 ## CrossAndInsert 41 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 256 ## JiggleSubtree 739 ## OptSubtree 850 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 138 # jumping subtree containing (T0187)I335 jump= 0.133328 -0.894639 -0.090307 0.416761 -53.7928 -7.74791 -98.1631 # Removing break before 138 # jumping subtree containing (T0187)K265 jump= -0.751725 -0.311075 0.491322 -0.311038 -119.258 -4.67032 102.593 # Removing break before 94 # jumping subtree containing (T0187)N320 jump= 0.444827 0.400169 -0.799332 0.055341 -107.777 -54.8012 150.968 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= -0.264055 -0.317885 -0.90845 0.0627976 -192.594 79.1726 -64.5645 # Removing break before 94 # Removing break before 86 # Removing break before 138 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.842475 -0.0720946 0.116217 -0.521087 -84.1304 119.702 16.9509 # generation 77: best score out of 40: T0187.try1-al10 74.6558 cost/residue, 425 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 83 ## TwoFragment 10 ## CrossOver 23 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 262 ## JiggleSubtree 743 ## OptSubtree 865 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 138 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)K265 jump= 0.731226 -0.270127 -0.0337237 0.625462 -114.696 137.335 -51.1938 # Removing break before 138 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.794548 -0.602198 0.0309731 -0.071351 -15.6745 -19.0556 24.9137 # Removing break before 64 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K265 jump= 0.462511 0.862016 -0.126872 -0.164062 -9.91879 -65.6014 -32.5127 # jumping subtree containing (T0187)T350 jump= -0.898142 -0.349334 0.039505 -0.264094 -37.2345 58.326 51.5381 # Removing break before 138 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)R281 jump= 0.82759 -0.556215 0.0686874 0.031663 -0.223686 15.325 -10.2566 # Removing break before 138 # Removing break before 86 # Removing break before 86 # Removing break before 138 # generation 78: best score out of 40: T0187.try1-al10 74.6558 cost/residue, 425 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 83 ## TwoFragment 10 ## CrossOver 23 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 271 ## JiggleSubtree 749 ## OptSubtree 876 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 138 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.873268 -0.168354 -0.454045 -0.0538813 -85.3315 7.73053 101.619 # Removing break before 138 # jumping subtree containing (T0187)I271 jump= -0.297124 0.566046 0.697483 -0.323772 -168.044 134.284 -34.5798 # jumping subtree containing (T0187)T313 jump= -0.772745 0.404025 0.385641 0.301514 -47.5093 -27.6323 92.8793 # Removing break before 138 # Removing break before 138 # jumping subtree containing (T0187)T313 jump= -0.300769 0.915076 -0.154518 -0.219769 -23.0985 -66.0853 -55.5004 # jumping subtree containing (T0187)M291 jump= 0.982555 -0.0974459 0.08186 -0.135603 9.21615 -45.6334 -2.22092 # jumping subtree containing (T0187)A203 jump= -0.0476755 -0.718217 -0.624154 -0.303848 -103.731 96.4762 62.536 # jumping subtree containing (T0187)R299 jump= -0.370367 0.218856 0.0323677 0.902155 -230.145 -101.937 51.7091 # generation 79: best score out of 40: T0187.try1-al10 74.6554 cost/residue, 425 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 83 ## TwoFragment 10 ## CrossOver 23 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 280 ## JiggleSubtree 760 ## OptSubtree 886 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing (T0187)T313 jump= -0.997545 -0.0649656 -0.0100297 0.0241552 6.29033 -18.9312 -17.7067 # jumping subtree containing (T0187)T313 jump= 0.545421 -0.0780708 -0.804463 -0.221948 -211.178 -26.8023 123.709 # jumping subtree containing (T0187)T313 jump= 0.0967347 -0.117238 -0.523143 -0.838582 -252.739 -63.1523 84.3062 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)I287 jump= 0.409794 -0.160121 -0.803045 0.401931 -205.983 68.2729 60.1753 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.732489 0.591871 0.250316 0.224702 -34.7078 111.523 -14.0278 # generation 80: best score out of 40: T0187.try1-al10 74.4313 cost/residue, 363 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 84 ## TwoFragment 10 ## CrossOver 24 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 291 ## JiggleSubtree 763 ## OptSubtree 897 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.474864 0.365081 -0.45026 -0.662183 -195.002 47.0244 -157.192 # jumping subtree containing (T0187)M291 jump= -0.914519 0.379596 0.0778724 0.11618 -8.12213 -22.0625 38.98 # Removing break before 94 # jumping subtree containing (T0187)T313 jump= -0.910349 -0.279795 0.0707038 0.296613 -39.0093 -86.6103 -2.10993 # Removing break before 138 # Removing break before 138 # Removing break before 138 # jumping subtree containing (T0187)T313 jump= -0.423368 0.877307 -0.170267 0.148662 -22.0949 -107.081 -32.0915 # jumping subtree containing (T0187)K302 jump= -0.140432 -0.640588 -0.0651215 0.75212 -142.395 -38.5827 -158.765 # jumping subtree containing (T0187)I335 jump= -0.979853 -0.0960618 -0.170159 0.0412976 -35.7891 -13.5192 -51.9749 # jumping subtree containing (T0187)M291 jump= -0.909933 0.107661 -0.294674 -0.271292 -57.2203 81.6734 -101.533 # jumping subtree containing (T0187)A203 jump= 0.95289 0.266931 -0.135752 -0.0481572 -13.8207 -19.884 30.4165 # generation 81: best score out of 40: T0187.try1-al10 74.4313 cost/residue, 363 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 85 ## TwoFragment 10 ## CrossOver 24 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 302 ## JiggleSubtree 766 ## OptSubtree 916 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 138 # jumping subtree containing (T0187)T313 jump= -0.58581 0.444093 -0.383646 0.558949 -80.0185 -163.95 -64.5856 # jumping subtree containing (T0187)L301 jump= -0.471641 0.589916 0.317212 0.573525 -47.8273 -50.6133 90.322 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= -0.998086 0.0190181 -0.0394075 -0.0436888 -8.82393 7.77452 -24.2839 # jumping subtree containing (T0187)I335 jump= 0.888456 -0.373324 -0.0573576 -0.26074 -5.54159 -60.8617 19.5827 # jumping subtree containing (T0187)T350 jump= 0.97931 0.0298797 0.189038 0.0657515 -6.94507 2.59101 -56.671 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.999457 -0.0254559 0.00319923 0.0206982 1.32754 -19.4122 -18.1464 # Removing break before 86 # jumping subtree containing (T0187)I335 jump= 0.18466 -0.577559 -0.19477 0.770967 -163.442 -1.55421 -97.0165 # jumping subtree containing (T0187)T350 jump= 0.967089 -0.122129 0.199935 0.099248 -6.03765 10.1499 -83.6326 # generation 82: best score out of 40: T0187.try1-al10 74.4308 cost/residue, 363 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 85 ## TwoFragment 10 ## CrossOver 24 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 311 ## JiggleSubtree 775 ## OptSubtree 933 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.634956 0.347714 0.347372 -0.596036 -133.601 94.382 -45.1154 # jumping subtree containing (T0187)T313 jump= -0.170423 -0.0694036 -0.966308 -0.179964 -214.142 31.5461 40.3696 # Removing break before 138 # jumping subtree containing (T0187)T313 jump= 0.591116 0.805699 -0.0172498 -0.0336639 -22.0476 -67.5729 10.9542 # jumping subtree containing (T0187)M291 jump= -0.734934 0.209803 -0.379578 -0.52132 -147.81 42.6364 -74.6952 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= 0.063681 -0.855101 -0.159075 0.489328 -65.3318 -74.6155 -120.845 # jumping subtree containing (T0187)T350 jump= 0.635657 -0.771051 -0.00347847 -0.0375144 13.3181 -50.4745 -39.4985 # generation 83: best score out of 40: T0187.try1-al10 74.4308 cost/residue, 363 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 85 ## TwoFragment 10 ## CrossOver 24 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 321 ## JiggleSubtree 779 ## OptSubtree 946 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.914863 -0.108498 0.134205 -0.365025 -51.3531 50.5275 62.3287 # jumping subtree containing (T0187)N320 jump= 0.0926247 0.143912 -0.132579 0.976285 -253.53 -65.9319 4.24603 # Removing break before 138 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.613229 0.46628 -0.272952 0.576221 -152.239 20.0849 137.701 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)T313 jump= -0.698314 -0.183998 -0.0581073 -0.689294 -156.76 94.7737 19.2536 # jumping subtree containing (T0187)T313 jump= 0.493788 0.0975827 0.841384 -0.196787 -171.114 -23.314 -87.9559 # jumping subtree containing (T0187)I272 jump= 0.210692 -0.518306 -0.739051 0.375196 -178.589 100.758 -40.5543 # jumping subtree containing (T0187)T350 jump= 0.975678 0.0207274 -0.217842 -0.012943 -15.9739 -32.3782 60.9044 # jumping subtree containing (T0187)I271 jump= 0.421863 -0.326265 -0.845717 -0.0185791 -161.99 67.9732 89.0009 # Removing break before 86 # generation 84: best score out of 40: T0187.try1-al10 74.4308 cost/residue, 363 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 85 ## TwoFragment 10 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 334 ## JiggleSubtree 784 ## OptSubtree 951 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= 0.807934 0.381884 0.270988 0.357733 -72.257 77.245 -3.64155 # jumping subtree containing (T0187)T313 jump= -0.836268 -0.228437 -0.457969 0.196817 -21.1722 -20.8456 -98.2235 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= 0.940539 -0.204469 -0.237751 -0.130591 -2.82928 -6.02546 36.1267 # jumping subtree containing (T0187)T350 jump= -0.436476 0.275416 0.717426 0.467905 -156.263 -38.6214 122.776 # jumping subtree containing (T0187)T313 jump= 0.636038 0.228644 0.705333 -0.213737 -115.618 0.251461 -117.746 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= 0.50082 0.634265 0.521838 -0.273078 -69.7704 11.265 -102.446 # jumping subtree containing (T0187)T350 jump= 0.986853 -0.131219 0.0497638 0.0801694 -18.4822 -4.82168 -18.7942 # jumping subtree containing (T0187)T313 jump= 0.528116 -0.331867 0.274195 -0.731966 -139.983 -157.377 -20.6484 # jumping subtree containing (T0187)G201 jump= -0.287256 0.923847 -0.159105 0.196664 6.97797 -107.107 -9.32213 # jumping subtree containing (T0187)I335 jump= 0.662714 0.0836211 -0.709809 -0.223582 -119.484 -71.6861 102.792 # jumping subtree containing (T0187)T350 jump= 0.99701 -0.0727622 -0.00349048 0.0257645 2.99619 8.5073 -3.14816 # generation 85: best score out of 40: T0187.try1-al10 74.3856 cost/residue, 404 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 87 ## TwoFragment 10 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 348 ## JiggleSubtree 786 ## OptSubtree 957 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.833253 0.449206 -0.180066 0.267355 -40.8276 -0.199198 65.4991 # jumping subtree containing (T0187)V317 jump= 0.982595 -0.0163497 0.0923752 -0.160332 10.8388 -34.9567 -15.6744 # jumping subtree containing (T0187)T350 jump= 0.772061 -0.192439 0.568004 -0.210381 -107.6 -66.5736 -110.083 # jumping subtree containing (T0187)T313 jump= -0.997021 -0.0485712 0.0088571 -0.0592644 -14.6322 15.11 1.50099 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= -0.724648 0.656019 -0.115337 0.176697 21.5628 -100.279 -46.7706 # Removing break before 94 # jumping subtree containing (T0187)I335 jump= -0.846453 0.253677 0.446418 0.140987 -52.8318 -18.752 85.9873 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.374616 -0.0245396 0.922854 0.0860313 -261.225 -0.667533 69.6789 # jumping subtree containing (T0187)I271 jump= -0.275493 0.655885 -0.159211 0.684522 -144.807 -143.22 112.304 # generation 86: best score out of 40: T0187.try1-al10 74.0523 cost/residue, 384 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 87 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 352 ## JiggleSubtree 798 ## OptSubtree 972 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.612781 -0.685976 -0.391367 -0.0277253 -39.2857 62.6348 -73.7317 # jumping subtree containing (T0187)T350 jump= 0.408931 -0.825624 -0.381031 0.077043 -49.9687 60.975 -13.1505 # Removing break before 138 # Removing break before 138 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.566452 -0.468461 0.477208 0.48161 -116.997 3.43101 -113.01 # jumping subtree containing (T0187)M291 jump= 0.999644 0.0097234 0.00879298 0.0232282 -6.17781 23.5861 4.26993 # Removing break before 138 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.646222 0.185592 0.635365 0.37982 -97.3429 -22.3475 85.1708 # jumping subtree containing (T0187)K295 jump= -0.975253 0.135966 -0.0399142 -0.169711 -9.27473 21.1493 -33.8437 # generation 87: best score out of 40: T0187.try1-al10 74.0523 cost/residue, 384 clashes 0.102486 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 87 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 64 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 359 ## JiggleSubtree 812 ## OptSubtree 987 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.123805 0.189284 -0.391884 -0.89178 -194.742 -124.274 13.0238 # Removing break before 138 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= -0.323153 -0.0469292 -0.883731 0.335246 -195.002 -39.9113 -115.581 # Removing break before 138 # jumping subtree containing (T0187)T350 jump= 0.397855 0.0627517 0.897256 -0.180844 -221.663 -20.8373 -139.605 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.253912 -0.531077 0.222446 0.777176 -242.306 -85.4866 -118.026 # jumping subtree containing (T0187)I271 jump= 0.673104 -0.366437 0.0965926 -0.635079 -89.6854 -106.153 18.939 # jumping subtree containing (T0187)I287 jump= -0.995074 -0.0525003 0.0221352 0.0811259 29.5679 -24.3246 3.04638 # Removing break before 138 # generation 88: best score out of 40: T0187.try1-al10 74.0445 cost/residue, 384 clashes 0.102407 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 87 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 364 ## JiggleSubtree 825 ## OptSubtree 1003 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= -0.781053 -0.542838 0.258956 0.168003 -23.3007 -96.4913 29.4546 # jumping subtree containing (T0187)T313 jump= 0.299529 -0.716061 -0.134579 0.615977 -115.59 4.44448 -159.377 # jumping subtree containing (T0187)T313 jump= -0.684416 0.547734 0.0305758 0.480236 -48.4675 -99.4512 23.7482 # jumping subtree containing (T0187)T313 jump= -0.963662 -0.0898203 0.247412 0.0455572 -43.0458 -12.2439 47.1865 # Removing break before 94 # jumping subtree containing (T0187)I287 jump= -0.999782 0.00237061 0.0167072 -0.012256 9.93736 15.9707 -4.54313 # jumping subtree containing (T0187)M291 jump= -0.999118 -0.0280142 -0.031001 0.00420445 -4.11373 -0.929182 -6.04901 # Removing break before 138 # jumping subtree containing (T0187)M291 jump= -0.787084 0.0614787 0.250903 -0.560149 -113.234 103.624 11.2808 # generation 89: best score out of 40: T0187.try1-al10 74.0445 cost/residue, 384 clashes 0.102407 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 87 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 375 ## JiggleSubtree 830 ## OptSubtree 1013 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.844311 -0.110311 0.39575 -0.344024 -69.8335 35.4106 104.574 # jumping subtree containing (T0187)E338 jump= -0.3121 0.190381 0.912306 0.184515 -182.293 11.5699 103.006 # jumping subtree containing (T0187)T313 jump= -0.905431 0.0633544 0.142456 -0.394825 -77.222 67.5468 36.7968 # Removing break before 94 # jumping subtree containing (T0187)K295 jump= -0.890847 -0.0541859 0.199717 0.404435 -42.1474 -96.5657 37.1456 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.973125 -0.153231 -0.0231767 -0.170327 -6.73728 -36.8925 15.4725 # jumping subtree containing (T0187)I287 jump= -0.756132 -0.181221 0.586812 -0.225996 -116.107 -6.35583 134.66 # generation 90: best score out of 40: T0187.try1-al10 73.8632 cost/residue, 391 clashes 0.109125 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 88 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 385 ## JiggleSubtree 837 ## OptSubtree 1026 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 138 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.929934 -0.0423706 0.338181 0.138057 -63.8321 -55.6469 87.4992 # jumping subtree containing (T0187)T273 jump= 0.306455 0.770997 -0.543163 -0.128929 -92.893 -154.049 17.5123 # jumping subtree containing (T0187)I335 jump= -0.476697 -0.201216 0.798258 -0.308313 -183.462 -11.7536 100.665 # jumping subtree containing (T0187)T313 jump= 0.925107 -0.142297 0.29064 -0.198636 4.31212 -75.4227 -84.9333 # Removing break before 138 # jumping subtree containing (T0187)I271 jump= -0.266377 -0.294092 0.238515 -0.886377 -229.934 -6.7322 78.6413 # jumping subtree containing (T0187)T313 jump= 0.224274 0.244562 -0.30808 0.891615 -234.621 -99.4439 41.907 # jumping subtree containing (T0187)I335 jump= -0.49148 0.304989 0.813681 0.0578957 -155.518 59.4189 92.3424 # jumping subtree containing (T0187)T313 jump= -0.855958 0.0173311 0.195766 -0.478237 -107.166 92.8184 50.9144 # Removing break before 94 # Removing break before 86 # Removing break before 138 # Removing break before 86 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.476721 0.830837 0.269645 -0.0986888 -15.4362 39.0114 -54.8461 # Removing break before 138 # Removing break before 94 # generation 91: best score out of 40: T0187.try1-al10 73.8629 cost/residue, 391 clashes 0.109125 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 89 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 394 ## JiggleSubtree 844 ## OptSubtree 1033 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= 0.533082 0.509439 -0.376085 0.56112 -125.963 -32.4681 92.5222 # jumping subtree containing (T0187)M291 jump= -0.612422 -0.304003 0.151751 0.713788 -140.773 -188.995 -8.80881 # jumping subtree containing (T0187)I271 jump= 0.978634 -0.187419 -0.084208 -0.00761806 -21.3569 -0.133012 9.41997 # jumping subtree containing (T0187)I271 jump= 0.997406 0.0717278 -0.00283521 0.0053855 -6.51338 -9.33888 25.0529 # jumping subtree containing (T0187)I271 jump= -0.853807 -0.0381284 0.177631 0.48786 -55.0684 -119.497 29.6573 # jumping subtree containing (T0187)R299 jump= -0.219251 -0.896752 -0.195572 -0.330931 -30.6226 2.49842 68.9275 # jumping subtree containing (T0187)T313 jump= -0.115279 0.00831989 0.634277 0.764418 -250.179 -35.7747 12.893 # jumping subtree containing (T0187)T313 jump= -0.652221 0.677033 0.155069 0.303624 -21.1812 0.0588684 27.3419 # generation 92: best score out of 40: T0187.try1-al10 73.8626 cost/residue, 391 clashes 0.109125 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 89 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 403 ## JiggleSubtree 853 ## OptSubtree 1050 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.25695 -0.604584 -0.454743 -0.601384 -143.072 78.4389 58.4823 # jumping subtree containing (T0187)T313 jump= -0.981054 -0.0658745 -0.178163 0.0380889 4.71213 -18.9213 -36.0523 # jumping subtree containing (T0187)T313 jump= 0.888316 0.357665 -0.0096218 -0.287886 -31.5963 -120.471 -19.1609 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.528185 0.303854 -0.315025 0.727635 -205.15 16.1815 111.289 # Removing break before 86 # jumping subtree containing (T0187)N320 jump= -0.732332 0.551641 0.269003 -0.294991 -47.5077 111.73 0.0154397 # jumping subtree containing (T0187)I271 jump= 0.812087 -0.243016 0.0203312 -0.530137 -41.0564 -134.398 2.93452 # Removing break before 94 # generation 93: best score out of 40: T0187.try1-al10 73.759 cost/residue, 398 clashes 0.107102 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 89 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 417 ## JiggleSubtree 858 ## OptSubtree 1058 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing (T0187)I290 jump= -0.808959 0.0769746 0.389382 0.433638 -62.2693 -85.9018 73.3409 # jumping subtree containing (T0187)I271 jump= 0.597089 0.514296 0.123525 0.603097 -120.374 68.318 100.174 # jumping subtree containing (T0187)T350 jump= 0.688676 0.166369 -0.354765 0.610072 -154.529 65.3462 72.6572 # jumping subtree containing (T0187)T313 jump= 0.999921 0.00926426 -0.00559978 0.00638824 4.70733 -2.87234 26.9271 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.977521 -0.153067 0.0686475 0.127717 -11.6548 27.8206 -39.6519 # generation 94: best score out of 40: T0187.try1-al10 73.759 cost/residue, 398 clashes 0.107102 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 90 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 431 ## JiggleSubtree 863 ## OptSubtree 1068 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing (T0187)T313 jump= -0.82955 0.40225 -0.29908 -0.246156 -33.9324 52.7091 -148.086 # jumping subtree containing (T0187)T313 jump= -0.608529 -0.0782373 0.162059 0.772857 -112.32 -143.569 30.8299 # jumping subtree containing (T0187)I271 jump= 0.0326436 0.821289 -0.56066 -0.100391 -152.568 -194.401 -19.8335 # jumping subtree containing (T0187)I287 jump= -0.950141 0.235795 -0.136161 0.151965 17.656 -22.9397 -49.9842 # jumping subtree containing (T0187)I271 jump= -0.951217 0.0634959 -0.298713 0.0438855 -9.53256 -19.2036 -100.73 # Removing break before 86 # jumping subtree containing (T0187)G339 jump= -0.946652 -0.0316372 -0.309821 0.0828226 -21.3323 -34.3473 -62.9395 # jumping subtree containing (T0187)R299 jump= 0.990809 0.00659427 -0.0810473 -0.108099 -18.505 -28.2557 41.5029 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= -0.173041 0.53177 -0.577798 0.594497 -171.655 -165.511 41.0125 # Removing break before 86 # jumping subtree containing (T0187)V315 jump= 0.999303 -0.0330707 -0.0172498 0.00180158 5.4767 13.2795 -4.96667 # jumping subtree containing (T0187)M291 jump= 0.731787 0.0297876 -0.668446 -0.129539 -113.232 -16.8099 115.094 # generation 95: best score out of 40: T0187.try1-al10 73.7586 cost/residue, 398 clashes 0.107101 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 90 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 441 ## JiggleSubtree 870 ## OptSubtree 1082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)T313 jump= -0.716662 -0.505068 -0.160162 -0.453487 -66.6477 67.7714 28.1234 # jumping subtree containing (T0187)K295 jump= -0.113658 -0.212548 -0.644515 -0.725607 -218.757 36.5752 54.4072 # Removing break before 86 # jumping subtree containing (T0187)N320 jump= 0.690189 -0.464208 -0.554405 0.0280156 -103.164 88.325 50.798 # generation 96: best score out of 40: T0187.try1-al10 73.7585 cost/residue, 398 clashes 0.107101 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 90 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 456 ## JiggleSubtree 874 ## OptSubtree 1094 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing (T0187)I271 jump= 0.858778 -0.404057 -0.173495 0.262941 -34.0597 80.7842 -35.9793 # jumping subtree containing (T0187)T350 jump= 0.847428 0.353423 0.214204 0.333279 -66.01 109.264 -22.1353 # jumping subtree containing (T0187)G339 jump= -0.882445 0.23833 -0.213286 -0.344962 -44.8052 53.2203 -102.736 # jumping subtree containing (T0187)I271 jump= -0.242765 0.0249951 0.654276 0.715796 -254.215 -81.6985 63.1596 # jumping subtree containing (T0187)T313 jump= 0.62799 -0.646592 0.412989 -0.130334 -53.3106 -99.5735 -75.1948 # jumping subtree containing (T0187)T313 jump= 0.0632174 0.289892 0.374707 0.878385 -255.006 40.6223 68.4907 # jumping subtree containing (T0187)L301 jump= 0.0740662 -0.961811 -0.0832593 -0.250004 -15.9449 10.477 48.3174 # jumping subtree containing (T0187)R299 jump= -0.999031 -0.0156918 -0.0175277 -0.0371874 0.856092 4.1062 -17.0199 # generation 97: best score out of 40: T0187.try1-al10 73.7585 cost/residue, 398 clashes 0.107101 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 90 ## TwoFragment 11 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 473 ## JiggleSubtree 875 ## OptSubtree 1101 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= -0.981712 -0.162866 -0.0638933 0.0750562 20.3359 -18.6581 -5.53316 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.547152 0.802324 0.204091 0.123483 -8.67187 -14.3306 -8.84654 # jumping subtree containing (T0187)T313 jump= 0.133826 0.459391 0.510532 0.714428 -192.525 85.6627 82.8653 # jumping subtree containing (T0187)I271 jump= -0.873714 0.0416356 -0.244678 0.418358 -41.3112 -108.257 -62.7095 # jumping subtree containing (T0187)G201 jump= 0.563343 0.402134 -0.592359 -0.412364 -165.415 -128.244 21.4914 # Removing break before 86 # jumping subtree containing (T0187)T313 jump= -0.951862 0.277602 -0.00436003 -0.12991 -20.6295 38.4446 -6.85191 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.130725 -0.814881 0.47166 0.31051 -121.806 -158.901 -41.8792 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.269381 -0.128254 0.920307 0.25302 -287.41 7.78818 -106.444 # jumping subtree containing (T0187)I271 jump= 0.0678126 -0.613355 -0.729596 0.294766 -197.077 127.882 -82.7228 # generation 98: best score out of 40: T0187.try1-al10 73.0425 cost/residue, 425 clashes 0.149467 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 90 ## TwoFragment 12 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 491 ## JiggleSubtree 875 ## OptSubtree 1106 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= 0.109504 0.845623 0.384129 -0.354084 -38.4948 11.3584 -134.542 # jumping subtree containing (T0187)I271 jump= 0.716824 -0.397557 0.214632 0.531079 -151.319 34.3355 -107.199 # jumping subtree containing (T0187)I287 jump= 0.647488 0.650383 0.0767508 0.389706 -29.5813 19.8019 54.0274 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)T313 jump= -0.0679017 -0.0422567 0.785608 0.613534 -291.978 -23.2996 23.4558 # Removing break before 86 # generation 99: best score out of 40: T0187.try1-al10 73.0425 cost/residue, 425 clashes 0.149467 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 91 ## TwoFragment 12 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 503 ## JiggleSubtree 882 ## OptSubtree 1120 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R299 jump= 0.15086 -0.675273 -0.471632 0.546636 -153.645 77.459 -141.902 # jumping subtree containing (T0187)G201 jump= 0.744698 0.587655 -0.0764148 0.306998 -53.5335 4.72241 101.726 # jumping subtree containing (T0187)I271 jump= 0.420026 0.207478 -0.600629 0.647901 -232.755 -7.64557 78.9837 # jumping subtree containing (T0187)I271 jump= 0.468605 0.0814709 -0.823174 0.310092 -241.747 12.0947 58.2198 # jumping subtree containing (T0187)M291 jump= -0.651587 -0.507104 -0.534324 0.181047 -35.7702 -17.8035 -109.864 # jumping subtree containing (T0187)M291 jump= -0.917726 0.321065 -0.213131 -0.0962899 -1.4357 32.3635 -82.6878 # jumping subtree containing (T0187)T350 jump= -0.859292 -0.0656507 -0.249177 0.441835 -20.3053 -123.607 -63.8599 # generation 100: best score out of 40: T0187.try1-al10 72.7301 cost/residue, 416 clashes 0.123529 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 92 ## TwoFragment 12 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 520 ## JiggleSubtree 885 ## OptSubtree 1133 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= 0.842031 -0.199941 -0.314229 0.390215 -89.7897 87.1547 52.3393 # jumping subtree containing (T0187)L329 jump= -0.970559 -0.196115 0.061863 0.125406 -5.81625 -49.3031 -0.698471 # jumping subtree containing (T0187)M291 jump= -0.691043 0.0966298 0.646451 -0.308583 -129.942 55.7751 96.5529 # jumping subtree containing (T0187)L301 jump= -0.658564 -0.590164 0.35256 0.306107 -78.4066 -141.809 28.8758 # jumping subtree containing (T0187)N320 jump= -0.896438 -0.0594621 0.400093 0.181075 -78.6655 -53.4723 86.7169 # Removing break before 94 # jumping subtree containing (T0187)L233 jump= -0.987398 -0.0330587 0.0312781 -0.151573 4.44757 21.3128 23.1188 # generation 101: best score out of 40: T0187.try1-al10 72.73 cost/residue, 416 clashes 0.12353 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 92 ## TwoFragment 12 ## CrossOver 25 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 536 ## JiggleSubtree 889 ## OptSubtree 1146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V228 jump= 0.816861 0.460394 -0.322097 -0.130493 -21.0768 -87.9199 95.376 # jumping subtree containing (T0187)I271 jump= 0.995417 0.0139557 0.027017 0.0906644 -21.7822 37.973 5.25949 # jumping subtree containing (T0187)I271 jump= 0.510448 -0.110135 -0.318405 0.791158 -252.353 75.4851 -30.6171 # jumping subtree containing (T0187)T350 jump= -0.720915 -0.405613 -0.46609 0.31388 -67.7768 -45.8532 -118.493 # jumping subtree containing (T0187)I271 jump= 0.880421 -0.411979 -0.0451386 0.230422 -13.6098 45.9523 -52.1161 # jumping subtree containing (T0187)A336 jump= -0.593343 -0.742925 -0.228554 0.209213 -17.3355 -35.3419 -68.1556 # jumping subtree containing (T0187)K295 jump= 0.997895 -0.00951528 -0.054074 0.0345089 13.0448 7.14207 1.47907 # generation 102: best score out of 40: T0187.try1-al10 72.73 cost/residue, 416 clashes 0.123529 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 92 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 551 ## JiggleSubtree 889 ## OptSubtree 1157 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N320 jump= -0.876758 0.170587 -0.123704 0.432312 -68.1933 -124.337 -25.6435 # jumping subtree containing (T0187)Q252 jump= 0.419016 -0.866096 -0.206709 0.17769 -30.8925 34.1506 -51.7774 # jumping subtree containing (T0187)N320 jump= 0.999779 -0.00338427 -0.0205489 0.00299753 9.54755 -9.14264 5.88234 # jumping subtree containing (T0187)T350 jump= -0.836164 0.287544 -0.365784 -0.290432 -82.1095 19.7691 -124.149 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.944368 -0.23494 0.202242 0.109869 -11.5634 -54.0762 66.4734 # jumping subtree containing (T0187)K295 jump= -0.574805 0.3012 -0.747558 -0.141546 -137.943 -31.7333 -142.409 # jumping subtree containing (T0187)I308 jump= -0.667268 0.349567 -0.637246 -0.162711 -133.776 -7.10846 -157.634 # jumping subtree containing (T0187)K302 jump= 0.769772 -0.174569 0.517285 -0.330747 -96.3937 -112.364 -114.328 # generation 103: best score out of 40: T0187.try1-al10 72.7299 cost/residue, 416 clashes 0.123529 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 92 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 573 ## JiggleSubtree 890 ## OptSubtree 1158 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= 0.9945 -0.000818563 -0.0948986 -0.0443013 -15.3341 -24.2007 5.51732 # jumping subtree containing (T0187)I271 jump= -0.856658 0.446167 -0.235503 -0.107749 -18.5824 -27.1688 -125.385 # jumping subtree containing (T0187)M291 jump= 0.1436 0.457731 -0.0131196 -0.877319 -193.31 -92.6877 -87.0946 # Removing break before 94 # jumping subtree containing (T0187)A336 jump= -0.0694483 0.995159 0.00826495 0.0690502 -6.29659 -43.626 -21.1582 # jumping subtree containing (T0187)N320 jump= 0.0948998 -0.0392887 -0.69917 -0.707539 -270.354 -25.6829 12.5809 # generation 104: best score out of 40: T0187.try1-al10 72.7299 cost/residue, 416 clashes 0.123529 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 92 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 591 ## JiggleSubtree 890 ## OptSubtree 1164 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.656855 0.423416 0.61726 -0.0908307 -107.119 84.4759 95.5194 # jumping subtree containing (T0187)I271 jump= 0.60549 0.257329 -0.509984 0.554148 -207.638 3.54743 108.329 # jumping subtree containing (T0187)N320 jump= 0.248981 0.739074 0.132263 0.611788 -139.726 26.9044 134.839 # jumping subtree containing (T0187)T350 jump= 0.887939 0.170466 0.161822 -0.395371 -17.7702 -123.549 -42.2355 # jumping subtree containing (T0187)I287 jump= 0.415609 -0.315129 0.819054 0.238984 -186.074 -20.6613 -103.115 # jumping subtree containing (T0187)N320 jump= 0.890242 0.089262 0.360265 -0.264026 -42.7158 -61.791 -99.615 # jumping subtree containing (T0187)I271 jump= 0.668472 -0.16058 0.626455 -0.367306 -150.304 -115.962 -153.531 # jumping subtree containing (T0187)A336 jump= 0.797383 -0.591278 0.0364923 -0.115065 1.83766 -34.1603 -11.7088 # jumping subtree containing (T0187)N320 jump= -0.428669 -0.848772 0.130138 0.28088 -14.8368 -108.493 -44.7907 # generation 105: best score out of 40: T0187.try1-al10 72.7299 cost/residue, 416 clashes 0.123529 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 92 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 610 ## JiggleSubtree 890 ## OptSubtree 1170 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N320 jump= -0.896771 0.388648 -0.180868 -0.109729 -2.52575 24.3527 -91.328 # jumping subtree containing (T0187)I308 jump= 0.111161 0.375569 -0.439105 0.808565 -276.589 -91.6349 83.4893 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= 0.966746 0.207383 0.149301 -0.0101512 -8.2282 -24.018 -21.1983 # jumping subtree containing (T0187)V315 jump= 0.041041 0.0719625 -0.823198 -0.561678 -293.335 -20.4248 21.0107 # jumping subtree containing (T0187)I271 jump= 0.379384 0.297856 0.875493 -0.0293593 -166.014 43.2374 -124.769 # jumping subtree containing (T0187)I271 jump= -0.800791 0.103165 0.537099 0.244164 -100.657 -42.6039 139.155 # jumping subtree containing (T0187)F309 jump= -0.0705052 -0.696391 -0.324076 0.636431 -123.723 6.87062 -143.525 # jumping subtree containing (T0187)N320 jump= 0.038772 -0.631647 -0.0860071 -0.769494 -144.587 21.2227 115.955 # jumping subtree containing (T0187)N320 jump= -0.626186 -0.0233466 -0.736814 -0.253873 -136.837 51.8823 -142.502 # jumping subtree containing (T0187)L301 jump= -0.285508 -0.192542 0.29234 0.89216 -262.197 -137.818 -34.3992 # jumping subtree containing (T0187)G339 jump= -0.971926 -0.0980317 0.200724 0.073887 -14.7278 -39.1331 32.6074 # generation 106: best score out of 40: T0187.try1-al10 72.6912 cost/residue, 434 clashes 0.116688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 93 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 41 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 625 ## JiggleSubtree 890 ## OptSubtree 1178 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.418774 0.710803 0.418032 -0.38031 -72.2434 73.3055 -74.2016 # jumping subtree containing (T0187)I271 jump= -0.930242 -0.0838814 -0.281002 0.220572 -32.2418 -51.9364 -70.8301 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= -0.779972 -0.308362 -0.463043 0.286614 -40.5791 -44.5628 -140.336 # generation 107: best score out of 40: T0187.try1-al10 72.6437 cost/residue, 448 clashes 0.123528 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 93 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 42 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 634 ## JiggleSubtree 897 ## OptSubtree 1186 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= -0.731577 -0.42449 0.131933 0.516911 -91.5135 -149.287 -18.1421 # jumping subtree containing (T0187)I271 jump= -0.928715 -0.243028 0.267384 0.0832614 -7.5078 -48.1314 59.4974 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.955439 -0.0828463 -0.0694909 0.274671 -3.57441 -80.972 -45.631 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)N320 jump= -0.212701 0.164834 -0.260053 0.92734 -278.762 -148.698 7.32123 # Removing break before 94 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.965097 0.0182517 -0.148611 -0.214872 -6.27646 -83.9306 52.5359 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.839594 0.410262 -0.314552 0.166807 -53.1984 -50.0539 91.0415 # Removing break before 86 # Removing break before 86 # generation 108: best score out of 40: T0187.try1-al10 72.6437 cost/residue, 448 clashes 0.123528 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 93 ## TwoFragment 12 ## CrossOver 26 ## CrossAndInsert 42 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 650 ## JiggleSubtree 903 ## OptSubtree 1196 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N320 jump= 0.465518 -0.742775 -0.341542 0.339009 -52.2145 106.186 -67.5508 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)N320 jump= 0.994158 0.0923701 0.0551631 0.00867744 3.82136 -7.64038 -25.2251 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.986679 0.0087525 0.156782 0.0425017 -24.3761 2.4983 28.8871 # Removing break before 94 # jumping subtree containing (T0187)N320 jump= -0.732172 -0.649298 0.142301 0.148613 -23.8625 -98.7615 -6.05563 # jumping subtree containing (T0187)N250 jump= -0.0504787 -0.226179 -0.912184 0.337958 -220.304 37.9301 -95.7024 # jumping subtree containing (T0187)A336 jump= -0.592546 0.457694 -0.0943067 0.656133 -143.011 -111.722 56.2437 # jumping subtree containing (T0187)D298 jump= -0.345828 0.21891 0.758554 0.507028 -236.027 -15.9592 86.0729 # jumping subtree containing (T0187)M291 jump= -0.210814 -0.0701757 -0.0295768 0.974555 -208.721 -116.37 -5.60006 # jumping subtree containing (T0187)P300 jump= 0.623288 -0.236971 0.317422 -0.67424 -98.5573 -153.133 -39.6191 # generation 109: best score out of 40: T0187.try1-al10 72.4844 cost/residue, 448 clashes 0.122489 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 93 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 42 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 659 ## JiggleSubtree 908 ## OptSubtree 1215 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N320 jump= -0.803796 0.432249 0.404379 0.059591 -51.7906 61.4718 81.1935 # jumping subtree containing (T0187)G201 jump= -0.995411 -0.0227558 0.060369 -0.0706745 -16.6187 -7.70002 27.6536 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= -0.983954 -0.0615782 -0.0878607 -0.142561 -23.3534 46.3918 -24.3737 # jumping subtree containing (T0187)G201 jump= 0.999991 0.0010173 0.00268353 0.0032057 18.7131 -21.2944 3.55582 # jumping subtree containing (T0187)L214 jump= 0.999753 0.00230762 -0.00448184 0.0216346 -10.8949 -2.48302 20.3245 # jumping subtree containing (T0187)L301 jump= -0.799672 -0.591236 0.0285032 0.100759 -18.3929 -60.3459 -33.3284 # Removing break before 94 # generation 110: best score out of 40: T0187.try1-al10 72.407 cost/residue, 470 clashes 0.119767 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 42 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 668 ## JiggleSubtree 920 ## OptSubtree 1229 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K302 jump= 0.966033 0.201064 -0.12542 0.103067 -12.4334 -8.35302 30.8435 # jumping subtree containing (T0187)I271 jump= 0.967193 -0.230939 -0.0275953 -0.102194 -8.78553 -32.9235 10.0779 # jumping subtree containing (T0187)G310 jump= -0.969047 0.0122612 -0.095685 0.227248 -28.5013 -66.4465 -33.5825 # jumping subtree containing (T0187)R299 jump= -0.0667516 -0.732456 0.484063 0.474063 -123.576 -155.947 -54.3533 # jumping subtree containing (T0187)I271 jump= 0.144969 0.273147 -0.512325 0.801185 -282.407 -14.7633 67.5629 # jumping subtree containing (T0187)M291 jump= -0.897359 -0.106041 -0.397942 -0.158569 -31.042 36.5286 -91.2119 # jumping subtree containing (T0187)G201 jump= 0.989608 0.0260978 0.0132917 -0.140777 -15.0135 -21.4465 8.89065 # jumping subtree containing (T0187)M291 jump= 0.377299 -0.602962 0.500793 -0.493243 -116.902 -154.252 11.4274 # jumping subtree containing (T0187)G201 jump= 0.567122 0.258597 0.772984 0.118308 -107.004 73.3064 -141.747 # jumping subtree containing (T0187)I271 jump= 0.92725 0.120312 0.354428 -0.0106598 -26.2729 0.592141 -96.442 # jumping subtree containing (T0187)S260 jump= -0.993756 0.0897527 0.0644633 -0.0154322 8.4083 0.512613 -3.92709 # jumping subtree containing (T0187)M291 jump= 0.999561 -0.00312543 -0.0104077 -0.027577 1.19867 -2.24224 -4.99589 # generation 111: best score out of 40: T0187.try1-al10 72.2477 cost/residue, 470 clashes 0.118729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 42 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 677 ## JiggleSubtree 929 ## OptSubtree 1243 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.860778 -0.235602 0.230034 0.38812 -62.0813 69.304 -76.1995 # jumping subtree containing (T0187)K302 jump= -0.90982 0.00925388 -0.372937 0.18182 -10.7567 -34.0258 -84.6522 # jumping subtree containing (T0187)I271 jump= 0.390697 0.299301 -0.196133 -0.848119 -211.02 -169.222 -7.34626 # jumping subtree containing (T0187)E312 jump= -0.549775 0.657196 0.348772 -0.379736 -101.57 122.759 -47.8249 # jumping subtree containing (T0187)I290 jump= -0.784834 0.553595 -0.2563 0.108989 -25.3465 -110.363 -38.2962 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.460077 -0.126496 -0.808252 0.345045 -165.483 -52.9088 -166.007 # jumping subtree containing (T0187)L301 jump= 0.906068 -0.16194 0.287761 -0.264594 -36.8905 -90.6954 -57.1305 # generation 112: best score out of 40: T0187.try1-al10 72.2476 cost/residue, 470 clashes 0.118729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 42 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 687 ## JiggleSubtree 938 ## OptSubtree 1257 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= 0.867406 -0.424219 0.155263 0.208659 -16.881 40.8498 -82.8076 # jumping subtree containing (T0187)I271 jump= 0.392552 -0.233711 0.742937 0.48921 -218.517 14.156 -86.1496 # jumping subtree containing (T0187)K259 jump= -0.738252 -0.304844 0.264326 -0.540542 -134.216 16.7236 98.5312 # jumping subtree containing (T0187)L301 jump= 0.75043 0.610339 0.223926 -0.119152 -5.62238 -34.0267 -63.6703 # jumping subtree containing (T0187)T273 jump= -0.988585 0.0519381 0.0885363 0.110284 0.564009 -39.5625 32.2482 # jumping subtree containing (T0187)K295 jump= -0.55533 0.141425 -0.50052 -0.648913 -166.858 59.0594 -101.478 # jumping subtree containing (T0187)M291 jump= -0.325517 0.051934 0.404092 0.853259 -230.331 -137.917 85.2969 # jumping subtree containing (T0187)M291 jump= -0.889482 0.0681368 -0.434998 -0.122299 -56.3129 1.59035 -109.398 # generation 113: best score out of 40: T0187.try1-al10 72.2471 cost/residue, 470 clashes 0.118729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 42 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 699 ## JiggleSubtree 945 ## OptSubtree 1269 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= 0.867065 0.11118 0.473597 -0.107444 -62.2992 6.31831 -111.378 # jumping subtree containing (T0187)I271 jump= 0.201061 0.163387 -0.175922 0.9497 -251.46 -17.8889 41.0743 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.226193 0.518288 -0.714337 -0.412233 -255.159 -107.368 -108.862 # jumping subtree containing (T0187)M291 jump= 0.360336 -0.142205 -0.823895 -0.413682 -237.207 -31.8359 104.767 # jumping subtree containing (T0187)L301 jump= -0.470154 -0.342778 -0.792707 -0.181863 -163.938 102.291 -121.077 # generation 114: best score out of 40: T0187.try1-al10 72.2471 cost/residue, 470 clashes 0.118729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 12 ## CrossOver 27 ## CrossAndInsert 42 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 716 ## JiggleSubtree 945 ## OptSubtree 1275 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K302 jump= -0.979046 -0.0408647 -0.165384 -0.111569 -18.0771 16.1588 -52.9823 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= -0.471743 0.150366 -0.82089 0.284585 -233.521 -77.8812 -138.644 # Removing break before 94 # jumping subtree containing (T0187)I290 jump= 0.446682 0.856137 0.233774 0.113373 14.4817 4.67448 13.5778 # jumping subtree containing (T0187)K302 jump= -0.960923 -0.228661 -0.049748 -0.147871 -30.5327 37.1364 -18.3697 # jumping subtree containing (T0187)I271 jump= -0.46051 0.212449 0.297327 -0.808946 -206.004 48.1005 -27.9559 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= 0.798295 -0.389705 0.0807561 0.452032 -59.3706 97.1799 -87.4429 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.977931 0.127987 0.163539 -0.0229242 4.91462 -8.61678 45.2196 # jumping subtree containing (T0187)K229 jump= 0.959799 -0.0826464 0.159747 -0.21549 -23.127 -56.8437 -43.3125 # generation 115: best score out of 40: T0187.try1-al10 72.2195 cost/residue, 467 clashes 0.12647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 13 ## CrossOver 28 ## CrossAndInsert 42 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 732 ## JiggleSubtree 947 ## OptSubtree 1282 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= -0.768311 0.352174 -0.383008 -0.372796 -90.4126 48.4732 -136.641 # jumping subtree containing (T0187)L301 jump= -0.99145 -0.118465 0.0529125 0.0139248 8.69508 -28.2033 38.3894 # jumping subtree containing (T0187)M291 jump= 0.422547 -0.398863 -0.749216 -0.317864 -185.134 43.703 169.055 # jumping subtree containing (T0187)I271 jump= -0.38888 -0.016729 0.13537 -0.911135 -258.918 91.4279 22.1869 # jumping subtree containing (T0187)I271 jump= 0.837471 0.313299 0.44725 -0.0212998 -59.7481 40.42 -77.9973 # jumping subtree containing (T0187)M291 jump= -0.877208 -0.1953 -0.437847 0.025565 -69.2427 22.9589 -95.5548 # jumping subtree containing (T0187)M291 jump= 0.971604 -0.227096 0.0173163 -0.0641272 -1.32474 4.25662 -1.45378 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.642638 -0.141606 0.663528 0.355944 -193.909 40.4811 -140.75 # generation 116: best score out of 40: T0187.try1-al10 72.2191 cost/residue, 467 clashes 0.12647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 13 ## CrossOver 28 ## CrossAndInsert 42 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 743 ## JiggleSubtree 953 ## OptSubtree 1292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing (T0187)K265 jump= 0.483509 0.568037 0.571303 -0.342294 -43.64 -1.79279 -119.869 # Removing break before 94 # jumping subtree containing (T0187)K259 jump= -0.157587 -0.458414 -0.580032 0.654665 -160.493 -19.6563 -166.638 # jumping subtree containing (T0187)M291 jump= 0.938252 -0.130459 -0.276941 -0.161145 -46.4869 -45.4635 68.5564 # jumping subtree containing (T0187)I287 jump= -0.330703 0.846348 0.223225 -0.352847 -37.3398 44.8957 -123.78 # generation 117: best score out of 40: T0187.try1-al10 72.2189 cost/residue, 467 clashes 0.12647 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 13 ## CrossOver 28 ## CrossAndInsert 42 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 749 ## JiggleSubtree 968 ## OptSubtree 1305 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G339 jump= -0.996362 -0.0651174 -0.0393184 0.0384153 -11.2379 -28.908 -2.64287 # jumping subtree containing (T0187)M291 jump= -0.999285 -0.000897079 -0.0344576 -0.0155661 15.8309 -12.0802 8.27076 # jumping subtree containing (T0187)M291 jump= -0.827209 -0.296895 -0.0755062 0.471038 -34.9187 -139.79 -29.0729 # jumping subtree containing (T0187)T350 jump= 0.266043 -0.334589 0.815211 0.390771 -247.297 -51.8741 -134.755 # jumping subtree containing (T0187)V243 jump= 0.621555 -0.443708 0.636759 0.10645 -129.609 -62.1302 -158.71 # jumping subtree containing (T0187)M291 jump= -0.744489 -0.0419058 -0.639874 -0.185853 -123.791 31.6533 -164.397 # jumping subtree containing (T0187)T350 jump= 0.999432 -0.0100027 0.030261 0.0109423 -13.9192 -5.80455 3.99618 # jumping subtree containing (T0187)I271 jump= -0.99911 0.00524159 0.0418004 0.00214648 -8.42876 12.9051 22.9655 # generation 118: best score out of 40: T0187.try1-al10 72.2067 cost/residue, 467 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 13 ## CrossOver 28 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 757 ## JiggleSubtree 971 ## OptSubtree 1317 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.727748 0.537221 0.305671 -0.297223 -69.3471 89.3615 -30.5567 # jumping subtree containing (T0187)G323 jump= -0.637832 0.504607 0.0376696 0.580624 -56.7835 -114.788 76.8804 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.853766 0.114305 -0.425369 0.277631 -132.296 65.2568 140.354 # jumping subtree containing (T0187)T350 jump= 0.581673 -0.0952381 -0.0524351 0.806124 -174.34 82.9723 -23.8856 # jumping subtree containing (T0187)G201 jump= 0.684538 0.126538 0.691521 -0.192859 -108.116 -50.417 -187.093 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= 0.744619 -0.287411 0.428377 -0.423592 -48.1361 -131.628 -105.511 # jumping subtree containing (T0187)G201 jump= -0.815846 -0.21398 0.334637 0.420269 -75.9399 -111.949 76.6058 # jumping subtree containing (T0187)M291 jump= -0.927128 0.0995501 0.116858 -0.341859 -70.5313 85.9506 7.58924 # generation 119: best score out of 40: T0187.try1-al10 72.2067 cost/residue, 467 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 13 ## CrossOver 30 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 766 ## JiggleSubtree 973 ## OptSubtree 1331 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.887772 -0.276312 0.368112 0.00222849 -44.0643 -47.5775 115.883 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.993692 -0.0640242 0.0800935 0.0454161 -4.79214 13.3702 -11.5336 # Removing break before 86 # Removing break before 86 # generation 120: best score out of 40: T0187.try1-al10 72.2067 cost/residue, 467 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 13 ## CrossOver 30 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 776 ## JiggleSubtree 983 ## OptSubtree 1344 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= 0.880708 -0.260923 0.328787 0.219482 -73.7436 19.8666 -97.4363 # jumping subtree containing (T0187)G201 jump= 0.0409526 0.878262 -0.340691 0.33303 -76.5574 -174.456 -0.969271 # jumping subtree containing (T0187)T236 jump= 0.94113 0.181227 -0.158195 -0.2375 -19.3204 -82.6359 15.11 # Removing break before 86 # jumping subtree containing (T0187)G266 jump= 0.472125 -0.24534 -0.23539 -0.813325 -127.957 -127.965 57.1278 # jumping subtree containing (T0187)M291 jump= -0.986959 0.111383 0.106707 0.0460308 -2.90756 -7.80096 16.3033 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.0460201 -0.466732 0.878923 0.0868223 -259.411 -120.854 -45.3823 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.917426 0.192476 -0.338069 0.083612 -25.1512 -17.459 101.326 # jumping subtree containing (T0187)F309 jump= 0.784114 -0.0421396 0.54835 -0.287578 -66.9939 -89.2097 -144.256 # generation 121: best score out of 40: T0187.try1-al10 72.2067 cost/residue, 467 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 94 ## TwoFragment 13 ## CrossOver 30 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 786 ## JiggleSubtree 986 ## OptSubtree 1355 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= -0.779796 0.584792 -0.160258 -0.155738 -35.7349 -11.074 -106.122 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.698331 0.329217 -0.33266 -0.54156 -109.023 56.7313 -113.715 # jumping subtree containing (T0187)T350 jump= 0.729466 -0.6766 -0.096002 -0.0295756 6.23227 -1.65235 -46.764 # jumping subtree containing (T0187)M291 jump= 0.248255 -0.0524598 -0.718709 -0.64736 -243.843 -48.077 63.0542 # jumping subtree containing (T0187)M291 jump= -0.240579 0.114892 0.917405 0.295449 -269.408 -7.7067 68.8958 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.223733 0.613327 -0.512296 -0.557967 -220.73 -76.2723 -125.361 # jumping subtree containing (T0187)K302 jump= -0.999904 -0.0110332 -0.00811375 -0.0022771 6.11262 -6.95612 11.242 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= -0.989123 0.0287405 0.126712 0.0689473 -21.6048 -3.02212 19.8219 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.597364 -0.438373 -0.601045 -0.29955 -93.4578 106.403 -30.2512 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.34789 -0.0962036 0.842249 -0.400417 -254.885 6.74125 80.7313 # jumping subtree containing (T0187)K302 jump= 0.860162 -0.00527215 0.50991 0.00923541 -48.8453 -0.978401 -137.993 # generation 122: best score out of 40: T0187.try1-al10 72.1999 cost/residue, 466 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 95 ## TwoFragment 13 ## CrossOver 31 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 795 ## JiggleSubtree 988 ## OptSubtree 1366 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.330799 0.508019 -0.628332 0.487532 -205.442 -85.3009 80.7646 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= -0.719947 0.393787 -0.537907 -0.193041 -120.436 -13.4863 -174.356 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.172315 0.247596 0.608891 -0.733659 -241.976 5.94664 -93.9363 # jumping subtree containing (T0187)A334 jump= -0.634193 0.448124 -0.58584 0.231895 -77.3993 -147.094 -134.602 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.993568 0.111957 -0.0134094 -0.0104162 10.0774 -27.8385 9.20554 # Removing break before 86 # Removing break before 86 # generation 123: best score out of 40: T0187.try1-al10 72.1999 cost/residue, 466 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 95 ## TwoFragment 13 ## CrossOver 31 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 801 ## JiggleSubtree 995 ## OptSubtree 1377 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.855177 -0.148345 0.214603 0.447896 -81.2956 -133.808 36.9439 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.999006 -0.0369537 0.0173604 0.0179155 -9.3137 -14.9524 32.2015 # jumping subtree containing (T0187)M291 jump= 0.772204 -0.328056 -0.00459834 -0.544113 -57.377 -150.255 40.442 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.602463 0.0256782 -0.636879 -0.480378 -193.631 -80.358 103.26 # jumping subtree containing (T0187)T350 jump= 0.510574 0.434769 -0.730271 -0.130362 -174.394 -121.655 76.7166 # jumping subtree containing (T0187)K295 jump= -0.557767 -0.822945 -0.107208 -0.0128324 7.48566 0.543135 -3.59735 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 124: best score out of 40: T0187.try1-al10 72.1999 cost/residue, 466 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 95 ## TwoFragment 13 ## CrossOver 31 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 807 ## JiggleSubtree 1009 ## OptSubtree 1391 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.644014 -0.0125204 0.372811 -0.667908 -171.196 106.354 59.3783 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= 0.949848 -0.16886 0.0760445 0.251978 -15.5014 69.1477 -39.3772 # jumping subtree containing (T0187)M291 jump= 0.758407 0.140234 0.628235 -0.102339 -97.4037 -13.5903 -115.298 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= -0.983809 0.0421332 -0.0432826 -0.168733 0.983366 62.5267 -5.67513 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.58371 -0.631933 0.505084 -0.0695253 -86.4296 -114.646 -165.532 # Removing break before 86 # generation 125: best score out of 40: T0187.try1-al10 72.1999 cost/residue, 466 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 95 ## TwoFragment 13 ## CrossOver 33 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 817 ## JiggleSubtree 1012 ## OptSubtree 1404 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)K302 jump= -0.878054 -0.382461 -0.152526 -0.243885 -44.282 74.8975 1.10683 # Removing break before 94 # jumping subtree containing (T0187)A336 jump= 0.943846 0.0242583 0.162379 -0.286705 20.4466 -91.4241 -52.6166 # jumping subtree containing (T0187)M291 jump= -0.183956 -0.154529 -0.543879 -0.804037 -288.672 20.2173 37.0604 # jumping subtree containing (T0187)K302 jump= -0.714412 0.060464 0.566491 -0.40626 -150.568 92.9583 73.9278 # jumping subtree containing (T0187)K295 jump= 0.453249 0.557934 -0.26388 -0.643151 -131.762 -163.675 -38.0279 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= -0.973845 0.0115222 -0.226892 -0.00349662 -7.9453 11.8548 -84.8128 # jumping subtree containing (T0187)M291 jump= -0.669958 -0.0581446 -0.72118 0.166358 -150.2 -23.7871 -164.418 # generation 126: best score out of 40: T0187.try1-al10 72.1999 cost/residue, 466 clashes 0.124729 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 95 ## TwoFragment 13 ## CrossOver 34 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 830 ## JiggleSubtree 1012 ## OptSubtree 1414 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.849465 0.403175 0.309054 -0.142634 -3.30571 -25.0727 -65.809 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.995358 0.0889199 -0.0126477 -0.0345709 -27.1103 10.7104 -17.8513 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 94 # Removing break before 86 # Removing break before 86 # generation 127: best score out of 40: T0187.try1-al10 72.1618 cost/residue, 465 clashes 0.13455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 36 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 839 ## JiggleSubtree 1012 ## OptSubtree 1426 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.510574 -0.703635 -0.240956 -0.431453 -50.127 -57.3927 84.3307 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.0617478 0.341491 -0.843986 -0.408973 -259.952 -86.4961 -68.8171 # jumping subtree containing (T0187)R299 jump= -0.974133 0.18598 0.0356055 0.123323 -20.2806 -41.3763 24.2564 # jumping subtree containing (T0187)M291 jump= 0.542496 -0.377314 -0.0226922 0.750212 -169.984 60.0541 -93.8476 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)V314 jump= -0.997269 0.0589037 -0.00352167 -0.0444141 -27.4858 18.6998 -0.63096 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= 0.793704 -0.0330766 -0.515661 0.320989 -146.486 70.9321 75.0309 # jumping subtree containing (T0187)G323 jump= -0.933682 0.167359 0.30507 -0.0846296 -71.1826 31.6231 73.7799 # jumping subtree containing (T0187)T350 jump= 0.461982 -0.460591 -0.746744 -0.12962 -150.866 75.7009 42.9137 # generation 128: best score out of 40: T0187.try1-al10 72.1618 cost/residue, 465 clashes 0.13455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 36 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 851 ## JiggleSubtree 1017 ## OptSubtree 1436 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= 0.872583 -0.103718 0.255355 -0.403281 -26.7273 -128.593 -75.2416 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I222 jump= -0.982647 0.140619 0.102057 0.0649298 9.17241 0.209523 38.8202 # jumping subtree containing (T0187)L301 jump= 0.643064 0.650095 0.336842 0.224459 -26.8759 79.9382 -13.1907 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.0738103 -0.662529 -0.745093 0.0210671 -132.519 122.673 3.57526 # jumping subtree containing (T0187)M291 jump= 0.99821 -0.0259477 -0.0170927 0.0511075 -13.6677 36.8159 -10.6085 # jumping subtree containing (T0187)I271 jump= 0.815953 -0.080167 0.534125 0.206165 -59.3059 33.0131 -131.742 # jumping subtree containing (T0187)A336 jump= 0.726776 -0.162228 0.277924 0.606825 -140.504 118.057 -79.6877 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.400227 -0.075778 -0.534341 0.740646 -258.05 47.1446 9.07432 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.892815 0.0335834 -0.216733 0.393422 -74.7571 88.8643 78.1083 # generation 129: best score out of 40: T0187.try1-al10 72.1618 cost/residue, 465 clashes 0.13455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 36 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 854 ## JiggleSubtree 1027 ## OptSubtree 1454 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.734429 0.609627 0.0274786 0.297007 -24.83 5.48528 70.6367 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.725674 -0.0932827 0.512746 0.449208 -113.502 90.1024 -113.763 # jumping subtree containing (T0187)L301 jump= -0.92476 -0.274456 -0.263533 0.00661939 20.1528 11.2581 -72.9787 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.654351 0.529933 -0.276971 -0.462908 -88.7205 -191.832 31.5629 # jumping subtree containing (T0187)K302 jump= 0.541838 0.307606 0.67692 0.39188 -163.556 94.2073 -62.3314 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.663874 0.28728 0.00298869 -0.690458 -105.279 -174.268 -49.9985 # generation 130: best score out of 40: T0187.try1-al10 72.1618 cost/residue, 465 clashes 0.13455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 862 ## JiggleSubtree 1031 ## OptSubtree 1465 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= -0.984206 -0.040878 -0.153347 0.0784365 -3.94273 -35.5675 -64.2256 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= 0.78562 -0.610228 -0.10208 -0.00153741 -1.66797 5.09376 12.7296 # jumping subtree containing (T0187)M291 jump= 0.790991 -0.603638 -0.0567134 -0.0820868 8.36616 -13.6833 -36.421 # jumping subtree containing (T0187)G339 jump= -0.804409 0.521602 -0.2801 0.0490043 -13.5947 -64.5681 -81.139 # generation 131: best score out of 40: T0187.try1-al10 72.1617 cost/residue, 465 clashes 0.13455 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 874 ## JiggleSubtree 1032 ## OptSubtree 1476 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.651605 0.332386 0.667439 0.139482 -78.5205 79.848 -130.297 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.714511 0.647108 -0.025274 -0.264737 -9.62029 -103.173 -40.273 # jumping subtree containing (T0187)G201 jump= 0.192759 -0.197211 0.373915 0.885517 -277.03 -16.7227 -77.8266 # jumping subtree containing (T0187)L301 jump= 0.999474 -0.0161605 -0.0263083 0.00988794 10.2504 9.25148 27.1401 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.831226 0.422509 0.276598 -0.232469 -10.5404 -75.9388 -77.44 # jumping subtree containing (T0187)M291 jump= 0.735205 0.572017 0.246427 0.267477 -60.0509 46.946 23.4937 # jumping subtree containing (T0187)G323 jump= 0.790451 -0.407023 0.445622 0.104601 -54.3232 -0.247568 -130.842 # jumping subtree containing (T0187)M291 jump= -0.538715 0.802053 -0.215727 0.141275 -40.8163 -111.877 -55.9422 # jumping subtree containing (T0187)M291 jump= 0.998532 0.0246587 0.00651679 0.0477907 18.3926 22.2655 -13.0383 # jumping subtree containing (T0187)K302 jump= 0.964927 -0.0551219 0.222979 -0.127115 -30.7636 -38.966 -65.7935 # Removing break before 86 # jumping subtree containing (T0187)V317 jump= 0.911488 -0.00438993 0.141666 -0.386135 -25.0054 -100.466 -18.9362 # generation 132: best score out of 40: T0187.try1-al10 72.1251 cost/residue, 462 clashes 0.132356 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 883 ## JiggleSubtree 1036 ## OptSubtree 1486 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K302 jump= 0.999806 -0.018766 -0.00447833 0.00397643 -9.98924 -21.6164 15.3442 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= 0.140763 -0.736415 0.425013 0.50719 -161.279 -87.831 -164.071 # jumping subtree containing (T0187)E312 jump= 0.976227 -0.171146 0.125448 0.0441945 -2.03925 23.3352 -52.5973 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.318484 0.659478 -0.0611805 -0.678169 -145.796 -159.227 -113.664 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.660082 -0.492003 -0.429352 0.371325 -51.6304 -49.3743 -140.527 # Removing break before 86 # jumping subtree containing (T0187)P300 jump= -0.712857 -0.198976 -0.567582 0.360686 -97.3837 -72.0383 -175.957 # jumping subtree containing (T0187)M291 jump= -0.179878 -0.384341 0.86391 -0.271266 -250.253 -107.781 44.8011 # jumping subtree containing (T0187)L301 jump= -0.207301 -0.784438 -0.58123 -0.0620875 -67.7353 104.659 -16.6468 # jumping subtree containing (T0187)M291 jump= -0.573933 0.701737 0.210843 -0.365665 -55.9319 82.435 -103.247 # jumping subtree containing (T0187)K302 jump= 0.0698057 -0.893064 0.426934 -0.12366 -88.0149 -128.782 -18.6288 # jumping subtree containing (T0187)M291 jump= 0.742606 -0.0398687 0.36306 0.561368 -161.372 88.091 -56.4452 # generation 133: best score out of 40: T0187.try1-al10 72.1251 cost/residue, 462 clashes 0.132356 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 891 ## JiggleSubtree 1042 ## OptSubtree 1496 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= -0.268189 -0.404835 -0.559695 -0.671509 -216.389 107.617 21.4609 # Removing break before 86 # Removing break before 94 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.418429 -0.775256 -0.243775 -0.405548 -61.159 22.5584 91.0958 # Removing break before 86 # jumping subtree containing (T0187)E223 jump= -0.427688 0.85892 0.269907 0.0805589 -22.4945 50.7597 -15.3735 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.724252 -0.658603 -0.116456 -0.16775 -21.2941 3.85559 18.5311 # jumping subtree containing (T0187)M291 jump= 0.869366 0.335144 -0.23871 0.273678 -73.7797 24.2745 91.7873 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.1888 0.825838 0.231134 -0.478459 -75.1179 -2.46935 -144.209 # Removing break before 86 # generation 134: best score out of 40: T0187.try1-al10 72.125 cost/residue, 462 clashes 0.132356 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 898 ## JiggleSubtree 1054 ## OptSubtree 1511 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.0778366 -0.98142 -0.00335209 0.175342 -11.5678 -47.8471 -77.593 # jumping subtree containing (T0187)M291 jump= -0.85235 -0.108949 0.436424 0.266765 -71.0616 -99.3266 95.3484 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.0574162 0.176461 0.745915 0.639669 -223.373 43.7504 26.488 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.599388 0.0983269 -0.282476 -0.742478 -226.615 66.9123 -53.2632 # jumping subtree containing (T0187)M291 jump= 0.981605 0.0101524 0.0529068 -0.183168 19.7286 -47.798 0.0772543 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= -0.852242 -0.0758618 -0.236822 0.460265 -56.4229 -133.513 -104.764 # Removing break before 86 # Removing break before 86 # generation 135: best score out of 40: T0187.try1-al10 72.125 cost/residue, 462 clashes 0.132356 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 906 ## JiggleSubtree 1055 ## OptSubtree 1527 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.676255 0.720507 0.0128074 0.152919 -22.8875 -55.1326 70.593 # jumping subtree containing (T0187)L301 jump= -0.279747 -0.241021 0.754593 0.542439 -257.087 -163.156 79.2406 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= -0.34301 -0.844243 -0.275856 0.305782 21.4181 -75.0849 -83.8231 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.617086 -0.478676 -0.595797 0.187348 -121.544 112.669 13.9856 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.402051 0.12428 -0.906395 -0.0368551 -282.365 -27.2895 94.5154 # jumping subtree containing (T0187)M291 jump= -0.6057 0.433655 -0.354239 0.56532 -96.4067 -206.076 -84.997 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.745351 -0.128003 -0.524249 0.391447 -67.5112 -103.658 -150.773 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)G323 jump= -0.00563441 -0.76762 -0.202955 0.607896 -132.592 -106.011 -171.37 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= 0.227374 -0.923739 0.266442 0.154974 -100.854 -199.683 -91.0727 # jumping subtree containing (T0187)A258 jump= 0.0972169 0.882577 -0.242161 0.391108 -65.382 -133.269 70.9473 # generation 136: best score out of 40: T0187.try1-al10 72.125 cost/residue, 462 clashes 0.132356 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 910 ## JiggleSubtree 1061 ## OptSubtree 1541 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)G339 jump= -0.998523 -0.0382585 -0.0248214 -0.0295338 -15.1619 32.6989 -5.98352 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.0412197 0.209358 -0.537458 -0.815849 -345.067 -169.917 32.5053 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.29447 -0.473323 0.676395 0.481397 -266.63 -81.2294 -152.227 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.631871 0.0490772 0.113262 0.765181 -211.41 87.2257 4.36422 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.676871 0.11201 -0.352709 0.636314 -104.552 -147.464 -87.3455 # Removing break before 94 # Removing break before 86 # generation 137: best score out of 40: T0187.try1-al10 72.125 cost/residue, 462 clashes 0.132356 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 921 ## JiggleSubtree 1061 ## OptSubtree 1554 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= -0.164849 0.263924 -0.948792 -0.054432 -292.115 -85.6904 -115.205 # jumping subtree containing (T0187)M291 jump= -0.338073 -0.900935 0.188876 0.195829 -51.4283 -207.567 -46.4061 # jumping subtree containing (T0187)M291 jump= 0.875058 0.476801 -0.0806293 -0.0207899 -12.5953 -85.3597 78.6861 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.959867 -0.103549 0.256837 -0.0443479 -20.0861 -34.683 -92.8358 # jumping subtree containing (T0187)L301 jump= 0.265404 -0.0154814 -0.960725 -0.0795526 -301.614 21.5197 60.0669 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= -0.828256 -0.155393 0.0737054 0.533303 -8.18066 -203.987 35.1269 # Removing break before 86 # generation 138: best score out of 40: T0187.try1-al10 72.1248 cost/residue, 462 clashes 0.132355 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 37 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 930 ## JiggleSubtree 1065 ## OptSubtree 1565 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E338 jump= -0.986073 0.00487045 -0.0888249 -0.140525 -14.7944 41.3049 -10.3651 # jumping subtree containing (T0187)K302 jump= -0.145489 0.356715 0.497738 -0.777074 -270.537 -29.703 -136.471 # jumping subtree containing (T0187)K219 jump= 0.920501 0.200042 -0.140165 0.304982 -76.2072 75.5673 97.1636 # jumping subtree containing (T0187)M291 jump= -0.686706 0.272527 0.522359 -0.425799 -196.514 98.7477 17.0022 # jumping subtree containing (T0187)M291 jump= 0.194406 0.463222 -0.722768 0.474592 -292.762 -123.603 43.8852 # jumping subtree containing (T0187)K302 jump= 0.975821 0.0176771 -0.0461102 0.212921 -31.2511 70.6141 0.171331 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.798319 0.0446806 -0.267304 0.53781 -40.9665 -193.314 -61.5655 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.968578 0.087483 0.00633171 -0.232729 14.0578 -95.6829 -8.93221 # Removing break before 86 # generation 139: best score out of 40: T0187.try1-al10 72.1248 cost/residue, 462 clashes 0.132355 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 38 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 941 ## JiggleSubtree 1066 ## OptSubtree 1576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.344759 -0.202037 -0.383486 0.832622 -279.223 15.3111 -54.2158 # Removing break before 86 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.889528 -0.272577 0.345363 0.123151 -97.4286 -7.25295 -150.587 # jumping subtree containing (T0187)P237 jump= -0.998111 0.0255252 0.0554333 -0.00702309 5.84259 -19.4598 9.54937 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= 0.511078 -0.330072 -0.00412951 0.793621 -226.562 6.85705 -92.3033 # Removing break before 94 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.947052 0.17741 0.214848 0.15956 -12.7897 29.2535 -28.9733 # generation 140: best score out of 40: T0187.try1-al10 72.1248 cost/residue, 462 clashes 0.132355 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 39 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 955 ## JiggleSubtree 1067 ## OptSubtree 1584 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K302 jump= -0.44771 0.494383 -0.633814 -0.391689 -264.988 -71.1105 -184.034 # Removing break before 86 # jumping subtree containing (T0187)L307 jump= 0.120674 0.0929027 -0.0206923 -0.988119 -289.107 -215.475 -10.5855 # jumping subtree containing (T0187)M291 jump= -0.740299 0.656494 -0.0473915 -0.136851 -22.1059 -18.1484 -135.702 # Removing break before 94 # jumping subtree containing (T0187)A258 jump= 0.979148 -0.123744 0.15845 0.0291473 -4.34518 7.70173 -50.4077 # jumping subtree containing (T0187)A258 jump= -0.699913 -0.0106553 0.687689 0.192593 -164.046 -34.3802 165.558 # Removing break before 86 # jumping subtree containing (T0187)K219 jump= 0.269078 -0.732422 0.619779 -0.0838324 -193.218 -232.065 -74.2631 # jumping subtree containing (T0187)M291 jump= -0.956146 -0.239014 0.101194 -0.135712 -27.9079 2.81887 80.3099 # jumping subtree containing (T0187)G323 jump= -0.489782 -0.20698 0.427545 0.731081 -194.529 -242.388 95.3785 # jumping subtree containing (T0187)V315 jump= -0.990815 0.0178494 -0.106657 0.0811909 4.69683 -37.2105 -16.0474 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= 0.394239 -0.0247002 -0.130828 -0.909313 -198.927 -241.36 43.624 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.809984 -0.146413 0.480053 -0.303377 -67.3337 -133.457 -133.696 # jumping subtree containing (T0187)M291 jump= -0.707898 -0.295117 -0.641371 -0.0207184 -90.4112 65.2288 -135.426 # jumping subtree containing (T0187)M291 jump= 0.994627 -0.09513 0.0251681 0.0321619 -21.7783 4.65062 -35.4097 # generation 141: best score out of 40: T0187.try1-al10 72.1247 cost/residue, 462 clashes 0.132355 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 40 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 964 ## JiggleSubtree 1068 ## OptSubtree 1597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.848006 0.0640267 -0.526078 -0.00525408 -83.5475 -14.509 126.235 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.970479 -0.184184 -0.130095 -0.0855627 -9.89767 30.9347 -0.14747 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.0185767 0.444696 0.852838 -0.27307 -182.803 57.6845 -94.1338 # jumping subtree containing (T0187)K219 jump= -0.766006 -0.228574 0.57222 -0.183175 -130.096 -25.8238 151.662 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.722318 0.642197 0.242668 -0.0833806 10.3887 0.51082 -41.3569 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 142: best score out of 40: T0187.try1-al10 72.1247 cost/residue, 462 clashes 0.132355 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 40 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 972 ## JiggleSubtree 1068 ## OptSubtree 1613 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= 0.399798 0.267977 -0.444007 0.755783 -298.122 -84.6662 61.8019 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.935477 0.0577263 0.0830308 -0.33861 13.6402 -95.9799 -10.0978 # Removing break before 86 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.723418 -0.443158 -0.268721 0.456142 -116.33 67.6312 -96.8592 # jumping subtree containing (T0187)E264 jump= -0.951185 0.193745 -0.215358 0.106443 7.62828 -56.2629 -88.2355 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.580417 0.78035 0.114298 -0.202746 -18.7448 -126.617 -41.5567 # jumping subtree containing (T0187)K302 jump= -0.350635 0.64579 -0.38318 -0.559629 -244.707 -111.88 -162.939 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.999833 0.00435283 0.00113476 0.0177076 15.3368 19.979 -8.36404 # jumping subtree containing (T0187)R281 jump= 0.838032 0.371127 -0.262769 -0.301529 -26.8629 -181.034 129.044 # jumping subtree containing (T0187)A336 jump= -0.997831 0.0214075 0.0599643 -0.0167039 19.8205 5.59911 31.4822 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= 0.953585 0.242401 -0.174822 -0.0367964 -32.9702 -53.7896 90.217 # jumping subtree containing (T0187)T350 jump= 0.169653 -0.643755 -0.653954 0.359362 -126.931 89.1706 -99.6324 # Removing break before 86 # generation 143: best score out of 40: T0187.try1-al10 72.1247 cost/residue, 462 clashes 0.132355 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 96 ## TwoFragment 13 ## CrossOver 40 ## CrossAndInsert 42 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 984 ## JiggleSubtree 1068 ## OptSubtree 1625 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K302 jump= 0.872901 0.0786146 -0.360047 -0.319733 -39.9171 -104.579 118.073 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)N242 jump= 0.427074 0.867605 -0.241807 0.079994 -65.9054 -210.446 149.894 # jumping subtree containing (T0187)M291 jump= 0.995269 -0.0207421 0.0098838 0.0943966 -29.3395 24.3652 -27.7749 # jumping subtree containing (T0187)M291 jump= -0.958623 -0.100367 -0.180967 -0.195498 -38.126 71.2898 -18.7184 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)K219 jump= -0.82251 -0.156295 0.436609 0.329276 -61.7242 -147.211 131.01 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K219 jump= 0.339097 -0.770036 0.257066 0.475368 -138.27 -131.635 -166.505 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.623472 -0.023102 -0.759944 0.182303 -200.442 33.4498 105.141 # jumping subtree containing (T0187)I271 jump= -0.637686 0.744146 -0.198798 0.00907455 -35.5441 -98.7457 -113.055 # generation 144: best score out of 40: T0187.try1-al10 71.8402 cost/residue, 462 clashes 0.136894 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 40 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 995 ## JiggleSubtree 1068 ## OptSubtree 1638 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.861313 0.310928 0.387839 -0.105092 -27.9103 -23.084 -113.795 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.944366 0.135508 -0.269822 -0.130409 -36.1814 -60.0588 94.1895 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.973949 0.0505823 0.22026 -0.0187108 2.31206 -9.24568 -43.2671 # jumping subtree containing (T0187)M291 jump= 0.741694 -0.555051 -0.369592 0.0721772 -9.11409 47.5217 0.510092 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.0844635 -0.407161 -0.909111 0.0245689 -212.475 122.376 -72.8387 # Removing break before 86 # generation 145: best score out of 40: T0187.try1-al10 71.8402 cost/residue, 462 clashes 0.136894 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 41 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1000 ## JiggleSubtree 1077 ## OptSubtree 1659 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N242 jump= -0.699336 0.568186 0.033484 0.432403 -15.7302 -169.832 25.5581 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.996615 -0.0817401 0.00726695 -0.00496463 -10.0623 -11.56 -11.8509 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.996115 -0.0475284 -0.0317464 -0.066988 16.6596 -30.2157 -5.52616 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)G311 jump= 0.975699 -0.0833525 -0.111911 -0.168936 7.08467 -44.6771 36.9019 # generation 146: best score out of 40: T0187.try1-al10 71.8402 cost/residue, 462 clashes 0.136894 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 41 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1004 ## JiggleSubtree 1087 ## OptSubtree 1680 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K302 jump= -0.939298 -0.0748637 0.0934156 -0.321541 -85.0075 72.0887 47.0315 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.823547 0.537087 -0.1732 -0.0575306 -46.3094 -95.6635 108.71 # Removing break before 94 # jumping subtree containing (T0187)V317 jump= -0.453365 0.773475 -0.400916 0.188317 -128.319 -248.971 -121.839 # jumping subtree containing (T0187)K302 jump= 0.742235 -0.410064 -0.526918 0.0573793 -46.7581 36.7815 42.6601 # jumping subtree containing (T0187)M291 jump= 0.953966 -0.0852082 0.272045 -0.0931683 -31.7576 -31.6391 -90.3734 # generation 147: best score out of 40: T0187.try1-al10 71.8402 cost/residue, 462 clashes 0.136894 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 42 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1014 ## JiggleSubtree 1089 ## OptSubtree 1692 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G323 jump= 0.994024 -0.101555 0.00331297 0.0398915 -28.6858 5.27422 -26.8851 # jumping subtree containing (T0187)A336 jump= -0.44869 -0.293055 0.256746 -0.804287 -329.956 -70.1664 99.5623 # jumping subtree containing (T0187)E338 jump= -0.780256 0.531939 0.156107 -0.289606 -72.3033 49.4326 -95.7903 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)V243 jump= 0.341062 0.709824 -0.598056 -0.14885 -200.303 -254.261 101.736 # jumping subtree containing (T0187)T350 jump= 0.112683 0.214417 -0.0976805 -0.965291 -276.754 -209.555 -53.173 # Removing break before 86 # jumping subtree containing (T0187)N242 jump= -0.369284 -0.558946 -0.379132 0.638332 -104.703 -140.733 -197.893 # jumping subtree containing (T0187)G339 jump= 0.874226 0.429027 0.0116733 0.226997 -47.5042 -7.53117 101.421 # generation 148: best score out of 40: T0187.try1-al10 71.8217 cost/residue, 460 clashes 0.13444 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 42 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1024 ## JiggleSubtree 1090 ## OptSubtree 1705 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.994621 0.0306176 -0.097387 0.017554 -2.6778 -11.3972 15.2639 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.874082 0.0300651 0.124813 -0.468507 -127.403 92.317 31.6537 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.758002 0.00357597 -0.252896 -0.601218 -29.778 -207.112 89.9307 # jumping subtree containing (T0187)K302 jump= -0.951778 0.0992115 0.186126 -0.222784 -61.0683 62.523 -5.66602 # jumping subtree containing (T0187)T350 jump= 0.138268 -0.467836 -0.62372 -0.610725 -210.975 -57.7707 208.747 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= -0.288781 -0.842078 0.00476484 -0.455508 -79.8767 -121.702 168.924 # jumping subtree containing (T0187)T350 jump= 0.962058 0.262766 0.0733976 -0.00316905 6.68179 6.93649 -3.16858 # Removing break before 86 # Removing break before 94 # generation 149: best score out of 40: T0187.try1-al10 71.8217 cost/residue, 460 clashes 0.13444 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 42 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1032 ## JiggleSubtree 1097 ## OptSubtree 1720 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N242 jump= -0.935254 -0.0338138 0.252745 -0.245512 -104.696 45.8962 91.3287 # Removing break before 58 # jumping subtree containing (T0187)L301 jump= -0.0461391 0.169837 -0.641596 0.746579 -306.467 -139.723 -66.5965 # jumping subtree containing (T0187)M291 jump= -0.953091 0.242134 0.171641 0.0594022 1.78906 -16.6726 3.34582 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.904731 -0.141001 -0.401214 -0.024676 -67.7915 28.4403 100.728 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.497082 0.714588 -0.490523 -0.0407517 -119.768 -196.92 155.153 # jumping subtree containing (T0187)M291 jump= -0.461504 0.846087 -0.262241 -0.0487786 -60.3547 -162.19 -129.815 # Removing break before 94 # generation 150: best score out of 40: T0187.try1-al10 71.8217 cost/residue, 460 clashes 0.13444 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 42 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1038 ## JiggleSubtree 1102 ## OptSubtree 1739 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.185945 -0.695605 0.0153429 0.693774 -158.019 -205.164 -146.873 # jumping subtree containing (T0187)T350 jump= 0.516119 0.130774 -0.810072 -0.245567 -203.736 -87.3657 166.788 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.4719 0.446932 -0.151565 0.744708 -226.547 -61.8187 132.548 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.199346 0.973255 0.099224 0.0564902 10.5917 -112.297 23.0646 # jumping subtree containing (T0187)M291 jump= -0.984883 0.0482629 0.165834 -0.013218 -3.84175 26.7906 37.0355 # jumping subtree containing (T0187)T350 jump= 0.201343 0.174707 -0.93486 0.234468 -328.491 -50.4761 40.4196 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.921633 -0.37871 0.0448062 0.0718631 -16.7418 14.7982 -64.5955 # generation 151: best score out of 40: T0187.try1-al10 71.8217 cost/residue, 460 clashes 0.13444 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 42 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1052 ## JiggleSubtree 1102 ## OptSubtree 1749 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.957837 0.240232 0.0609675 0.145324 35.4254 -45.6691 -29.0667 # jumping subtree containing (T0187)M291 jump= 1 0.000155338 0.000112334 -7.51424e-05 -12.0497 9.94209 -15.2123 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.631841 -0.2733 -0.67306 0.270321 -79.5313 -51.8682 -187.86 # jumping subtree containing (T0187)R299 jump= -0.909241 -0.393169 0.107895 0.0840103 7.53751 -72.5437 75.9804 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= -0.807442 -0.149552 0.100158 0.561819 -66.4402 -220.47 23.2707 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.819477 -0.110764 0.545612 -0.136005 -106.282 -61.1935 -185.561 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # generation 152: best score out of 40: T0187.try1-al10 71.8217 cost/residue, 460 clashes 0.13444 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 97 ## TwoFragment 13 ## CrossOver 43 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1065 ## JiggleSubtree 1102 ## OptSubtree 1759 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G339 jump= 0.994904 -0.0582808 -0.0427919 0.0702777 -32.6707 18.2779 -14.4432 # jumping subtree containing (T0187)K259 jump= -0.975518 0.00673141 -0.0752587 -0.206532 -55.6487 86.848 -14.865 # jumping subtree containing (T0187)M291 jump= 0.826381 0.410652 0.129458 -0.362905 11.0305 -158.067 -71.047 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)A334 jump= 0.610415 0.0724532 0.215296 0.758809 -299.89 65.4252 8.64284 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.511725 0.231239 0.775292 0.289115 -171.708 -4.00053 186.725 # jumping subtree containing (T0187)M291 jump= -0.29407 0.402973 0.301861 0.812413 -194.378 -156.335 180.568 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 153: best score out of 40: T0187.try1-al10 71.7929 cost/residue, 436 clashes 0.129919 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 44 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1076 ## JiggleSubtree 1104 ## OptSubtree 1768 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= -0.819206 -0.030609 0.0211346 -0.572292 -201.211 92.5681 20.4756 # jumping subtree containing (T0187)T350 jump= 0.761865 -0.190707 0.271265 -0.556424 -71.0729 -198.549 -92.2914 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.944283 -0.10962 0.310256 0.00739031 -34.4293 19.3139 -110.524 # jumping subtree containing (T0187)G339 jump= 0.907823 0.376 -0.184453 0.0214252 -46.3421 -61.9789 131.679 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.795288 -0.225461 -0.141882 -0.544567 -158.611 110.45 35.9547 # jumping subtree containing (T0187)M291 jump= 0.913928 0.131811 0.189078 -0.334082 35.2941 -116.009 -64.2001 # Removing break before 86 # generation 154: best score out of 40: T0187.try1-al10 71.7929 cost/residue, 436 clashes 0.129919 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 44 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1080 ## JiggleSubtree 1108 ## OptSubtree 1784 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.709169 0.221349 0.259711 0.616955 -56.7914 -171.863 87.2878 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.866591 -0.435089 -0.112701 -0.216831 -35.3543 7.38111 79.8527 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.0706776 0.993408 0.0901288 0.00467076 2.78886 -148.319 -41.2873 # generation 155: best score out of 40: T0187.try1-al10 71.7929 cost/residue, 436 clashes 0.129919 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 44 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1089 ## JiggleSubtree 1115 ## OptSubtree 1799 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.954553 0.251235 0.131729 0.0914135 6.07198 -14.7686 18.8787 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.980668 0.127186 0.0270519 -0.146225 33.1256 -36.6775 4.3854 # Removing break before 86 # Removing break before 58 # jumping subtree containing (T0187)L301 jump= 0.999998 0.00168133 -0.00120652 0.000717562 -3.10761 -25.07 -0.965795 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.547903 0.0449759 -0.824404 -0.134674 -267.139 20.2944 -185.258 # jumping subtree containing (T0187)S332 jump= 0.985309 0.0103416 -0.0441364 -0.164653 20.7832 -71.3971 9.7212 # jumping subtree containing (T0187)L301 jump= 0.465194 0.824185 0.28175 -0.157894 32.8037 -89.613 -25.7387 # generation 156: best score out of 40: T0187.try1-al10 71.7929 cost/residue, 436 clashes 0.129919 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 45 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1102 ## JiggleSubtree 1115 ## OptSubtree 1809 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.984525 0.0483275 0.115446 -0.122665 -9.70255 35.1437 12.9557 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.0635465 0.729725 0.622379 -0.275874 -91.0089 36.2738 -145.493 # Removing break before 86 # Removing break before 58 # jumping subtree containing (T0187)M291 jump= 0.155085 0.00746695 -0.183588 0.970664 -354.908 -97.9471 -31.4812 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.0592259 -0.990701 -0.0579525 -0.107911 22.5005 -139.067 -4.65635 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.526584 0.221734 0.770941 0.281414 -205.716 71.7966 -43.1525 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.999938 -0.00192194 -0.00822428 -0.00719132 7.73687 0.103285 26.1126 # Removing break before 86 # generation 157: best score out of 40: T0187.try1-al10 71.7929 cost/residue, 436 clashes 0.129919 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 45 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1119 ## JiggleSubtree 1115 ## OptSubtree 1816 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)A203 jump= 0.123086 0.270863 -0.386132 0.873146 -309.061 -130.166 31.3778 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.98696 0.0882731 0.0773823 0.110135 -18.9931 31.1251 -33.0892 # jumping subtree containing (T0187)I271 jump= 0.822924 0.176812 -0.50277 0.196865 -138.557 5.38292 156.276 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.0549561 -0.694963 -0.712962 0.0754366 -96.7003 61.808 -71.8584 # generation 158: best score out of 40: T0187.try1-al10 71.7929 cost/residue, 436 clashes 0.129919 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 45 ## CrossAndInsert 42 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1135 ## JiggleSubtree 1115 ## OptSubtree 1824 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A334 jump= -0.834465 -0.0559551 0.476684 -0.270757 -182.302 48.8492 106.461 # Removing break before 58 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.237865 0.850211 0.293899 -0.366312 -28.338 -92.1596 -128.138 # jumping subtree containing (T0187)G339 jump= -0.592032 -0.553356 -0.570529 0.133385 -49.7175 14.6644 -118.247 # Removing break before 86 # jumping subtree containing (T0187)A334 jump= 0.999636 0.0210407 0.00558817 -0.0159546 -20.3586 -19.0722 -8.84478 # jumping subtree containing (T0187)M291 jump= 0.846249 0.218251 0.385487 0.296022 -85.7938 74.3105 -49.2844 # jumping subtree containing (T0187)E264 jump= 0.662801 -0.429894 0.596668 0.140972 -195.971 -87.4781 -178.138 # jumping subtree containing (T0187)R299 jump= 0.680211 0.242184 0.0834698 -0.686799 -64.5074 -239.249 -74.5783 # generation 159: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 46 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1148 ## JiggleSubtree 1115 ## OptSubtree 1833 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.661653 -0.0478849 -0.646054 0.377539 -143.338 -114.409 -193.579 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.339574 -0.590206 -0.55438 -0.478549 -119.073 72.9414 94.6459 # jumping subtree containing (T0187)I271 jump= -0.811763 0.155976 -0.408484 0.387109 -51.6168 -182.164 -146.52 # jumping subtree containing (T0187)M291 jump= 0.767382 0.569432 -0.0632673 -0.287869 -24.5208 -171.341 16.153 # jumping subtree containing (T0187)M291 jump= 0.262452 0.635701 0.294488 0.663536 -145.188 -30.5118 151.179 # generation 160: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 49 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1162 ## JiggleSubtree 1115 ## OptSubtree 1840 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.972605 -0.219691 -0.0151401 -0.0744732 8.74878 -56.8267 -13.1546 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.987746 -0.136324 -0.00139088 0.07597 -11.6527 43.4788 -38.8633 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= 0.452576 0.685631 0.329547 -0.465278 -41.837 -103.657 -144.917 # jumping subtree containing (T0187)M291 jump= -0.19678 0.11221 0.394871 -0.890373 -359.852 -76.284 -91.9336 # jumping subtree containing (T0187)I271 jump= 0.586787 0.296081 0.000906808 -0.753668 -144.022 -262.133 -45.212 # Removing break before 86 # Removing break before 86 # Removing break before 58 # jumping subtree containing (T0187)M291 jump= 0.980402 0.17767 0.0825448 0.0207614 -0.264769 -0.481851 20.607 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 161: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 49 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1176 ## JiggleSubtree 1115 ## OptSubtree 1850 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.174211 -0.392959 -0.888949 -0.158126 -217.46 87.3529 -19.1468 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.452055 0.663293 0.0983976 0.588223 -153.56 -27.7468 180.884 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.133239 -0.546409 -0.522703 -0.640677 -188.621 3.9414 146.963 # Removing break before 86 # jumping subtree containing (T0187)K219 jump= 0.100763 -0.073651 0.342581 0.931161 -345.489 -123.26 34.7478 # jumping subtree containing (T0187)M291 jump= -0.996592 0.0319477 0.0477956 -0.0591527 0.50635 -2.91051 16.2986 # jumping subtree containing (T0187)K219 jump= -0.666904 0.597482 -0.235648 -0.37779 -156.317 -33.1756 -196.137 # jumping subtree containing (T0187)K219 jump= 0.120278 -0.0585916 -0.81843 0.558814 -348.911 -2.56189 -45.6913 # jumping subtree containing (T0187)M291 jump= 0.967172 0.0284468 0.0350201 -0.250086 3.17361 -113.406 -21.9317 # generation 162: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 52 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1185 ## JiggleSubtree 1115 ## OptSubtree 1862 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)A280 jump= -0.0310062 0.90106 0.0161615 0.432282 -27.9813 -188.641 115.632 # jumping subtree containing (T0187)M291 jump= -0.958953 -0.0697371 0.0708656 0.265562 -5.34762 -83.2576 29.6405 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.646288 0.0170474 0.585517 -0.489072 -120.772 -159.067 -175.438 # jumping subtree containing (T0187)M291 jump= 0.638583 0.0701936 -0.257547 0.721771 -279.838 26.6885 32.5832 # jumping subtree containing (T0187)L301 jump= 0.770109 -0.0246058 0.421236 -0.478421 -63.3607 -186.799 -148.619 # jumping subtree containing (T0187)M291 jump= 0.127483 -0.797353 -0.2902 -0.513575 -54.5606 -78.9389 136.294 # jumping subtree containing (T0187)L301 jump= -0.47855 -0.12909 -0.24133 -0.834317 -301.532 4.01783 47.4205 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.992321 -0.0794965 -0.0672641 -0.0667465 16.0357 19.8722 2.68879 # Removing break before 94 # generation 163: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 53 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1202 ## JiggleSubtree 1115 ## OptSubtree 1868 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.996961 0.0164179 -0.0322948 -0.0689623 -3.69466 29.4463 -33.3739 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.500266 0.809053 -0.184219 -0.24745 -63.4596 -236.671 1.60866 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.285818 -0.796706 0.524188 0.093777 -182.806 -261.69 28.8463 # jumping subtree containing (T0187)L301 jump= -0.828058 -0.348172 0.405666 -0.168914 -109.959 -8.53999 148.653 # Removing break before 86 # Removing break before 86 # generation 164: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 55 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1218 ## JiggleSubtree 1115 ## OptSubtree 1874 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.44261 -0.582272 -0.20036 -0.651852 -77.7001 -198.12 128.423 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= 0.735181 -0.315595 -0.286928 -0.526859 -45.1085 -178.53 110.965 # jumping subtree containing (T0187)L301 jump= -0.999642 0.00888465 0.0246452 -0.00549069 20.3812 -2.90478 -12.547 # jumping subtree containing (T0187)L214 jump= -0.934773 -0.324834 0.0540042 -0.133288 -21.5693 31.1435 65.4384 # jumping subtree containing (T0187)M291 jump= 0.580808 0.436562 0.444711 0.523744 -164.002 89.7313 73.9801 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # generation 165: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 57 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1226 ## JiggleSubtree 1116 ## OptSubtree 1887 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G323 jump= -0.937298 0.15743 0.194192 -0.242852 -47.9549 68.5684 6.24507 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.751952 -0.514821 -0.211877 -0.353038 1.4787 -90.7179 21.6446 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.308335 -0.00180907 -0.649443 0.69509 -259.981 -159.667 -188.247 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.878099 -0.270498 0.229995 -0.320741 -12.9472 -161.773 -89.0852 # jumping subtree containing (T0187)M291 jump= 0.428142 0.77155 0.242071 0.403494 -52.6233 -36.2899 128.084 # generation 166: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 58 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1237 ## JiggleSubtree 1116 ## OptSubtree 1899 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= 0.484772 -0.48411 0.0615936 -0.725837 -157.496 -271.131 49.4031 # jumping subtree containing (T0187)G339 jump= -0.292515 -0.834546 -0.419857 0.204178 -7.47183 -37.8078 -68.1164 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.798896 -0.107645 -0.01294 -0.591617 5.01959 -222.607 1.28864 # jumping subtree containing (T0187)G201 jump= -0.735866 -0.089764 0.0513811 -0.669181 -206.44 90.1178 58.0738 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.211472 -0.386017 0.129523 0.888535 -236.571 -244.428 -63.2211 # jumping subtree containing (T0187)L301 jump= 0.342523 -0.334443 -0.79226 -0.378352 -179.226 -18.2465 130.722 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.902623 0.262654 -0.267258 0.211796 -32.1921 -89.5945 -121.657 # generation 167: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 58 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1255 ## JiggleSubtree 1116 ## OptSubtree 1905 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.999932 -0.00126214 -0.00380681 -0.0109468 8.23666 12.1262 19.9722 # jumping subtree containing (T0187)G323 jump= -0.999736 0.0026735 -0.00742086 0.021592 -8.14835 0.277299 -29.1796 # jumping subtree containing (T0187)L301 jump= 0.999314 -0.0344314 0.00270667 0.013363 -1.21559 13.7443 -15.8896 # jumping subtree containing (T0187)K219 jump= 0.909708 -0.287487 0.147778 -0.260663 8.1434 -97.4482 -80.4098 # jumping subtree containing (T0187)M291 jump= 0.759598 -0.364845 0.0655236 0.534421 -202.643 69.8911 -120.684 # Removing break before 94 # generation 168: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 59 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1269 ## JiggleSubtree 1116 ## OptSubtree 1914 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.23803 -0.266017 -0.466503 -0.809291 -213.731 -112.963 123.241 # jumping subtree containing (T0187)M291 jump= -0.229347 0.900446 0.366787 -0.0454359 -20.8067 -23.6873 -53.3623 # jumping subtree containing (T0187)M291 jump= 0.982205 -0.157097 0.0757247 0.0697052 -14.7921 16.8715 -37.9434 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.781433 -0.221544 -0.0647866 0.579727 -33.5057 -206.158 -43.7704 # Removing break before 94 # jumping subtree containing (T0187)K259 jump= 0.995444 -0.0502046 -0.0495005 -0.0641898 3.09059 -24.0018 37.5365 # jumping subtree containing (T0187)M291 jump= 0.708783 0.375491 0.132557 0.58229 -183.518 64.9991 106.864 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K219 jump= 0.00588938 -0.528975 -0.830466 -0.174574 -197.067 108.454 29.2219 # jumping subtree containing (T0187)M291 jump= 0.645214 -0.452548 0.367515 0.493795 -204.933 -32.2111 -189.865 # generation 169: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 60 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1282 ## JiggleSubtree 1116 ## OptSubtree 1924 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.873218 0.132522 0.291087 -0.367692 -27.4526 -120.548 -107.75 # jumping subtree containing (T0187)G339 jump= -0.963741 0.225617 0.119716 0.0772601 -8.28859 -35.119 25.2882 # Removing break before 58 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.741781 -0.381149 -0.485777 -0.261737 -54.0677 -31.4244 112.586 # jumping subtree containing (T0187)G249 jump= -0.61447 -0.496084 0.605906 -0.0959502 -202.703 -128.248 184.067 # Removing break before 86 # jumping subtree containing (T0187)G339 jump= -0.338092 0.211647 -0.898282 0.184363 -293.742 -109.679 -154.947 # jumping subtree containing (T0187)I271 jump= 0.802879 -0.0709619 -0.244316 -0.539128 -45.2256 -225.545 91.4676 # jumping subtree containing (T0187)K259 jump= -0.815525 0.333126 0.229998 -0.413578 -122.289 116.86 -61.6781 # jumping subtree containing (T0187)I271 jump= 0.882755 0.362295 -0.243495 -0.173769 -23.7957 -117.703 129.284 # jumping subtree containing (T0187)T350 jump= -0.828093 0.142612 0.0478904 -0.540028 -155.145 75.837 -41.5764 # Removing break before 86 # generation 170: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 60 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1299 ## JiggleSubtree 1116 ## OptSubtree 1931 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= -0.337927 0.109574 0.934514 -0.0219783 -319.889 18.6135 88.7092 # Removing break before 86 # jumping subtree containing (T0187)I232 jump= -0.837325 -0.434221 0.236189 -0.233569 -83.2478 -24.6358 171.872 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.598556 -0.529588 0.212058 0.562405 -129.739 -274.211 2.30018 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.43341 -0.136016 0.378689 0.806381 -344.631 -26.3607 -68.0772 # Removing break before 94 # jumping subtree containing (T0187)K295 jump= 0.98592 -0.0812027 0.0768407 0.124351 -43.5822 23.8968 -61.5206 # jumping subtree containing (T0187)R299 jump= -0.999807 0.00568228 0.00184033 0.0187053 -10.0224 0.778876 -9.01211 # generation 171: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 60 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1315 ## JiggleSubtree 1116 ## OptSubtree 1939 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 58 # jumping subtree containing (T0187)M291 jump= -0.979955 -0.105406 -0.11553 0.123413 36.1034 -38.2891 -32.8172 # jumping subtree containing (T0187)M291 jump= 0.65619 0.252293 -0.665287 -0.251308 -208.452 -146.563 166.171 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.724682 0.304602 -0.233786 0.572186 -218.857 9.02534 138.213 # jumping subtree containing (T0187)M291 jump= -0.959706 -0.0646496 0.0260764 -0.272221 -56.6931 77.3949 22.662 # jumping subtree containing (T0187)A336 jump= 0.207019 -0.946837 0.13265 -0.20748 -52.199 -230.266 3.59261 # jumping subtree containing (T0187)G201 jump= -0.824299 0.253371 -0.231695 0.450168 -29.391 -174.256 -62.369 # Removing break before 94 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.143941 0.0817836 0.466262 0.869018 -345.639 -61.8636 91.3599 # generation 172: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 62 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1327 ## JiggleSubtree 1116 ## OptSubtree 1949 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.436386 -0.110653 0.614501 0.647852 -331.731 -22.6979 -37.2242 # jumping subtree containing (T0187)M291 jump= -0.983361 0.131223 -0.125596 -0.00263862 -26.3787 1.68172 -78.7082 # jumping subtree containing (T0187)T350 jump= 0.845942 0.232124 0.118711 -0.465197 -15.8858 -170.533 -34.6607 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.23236 0.16025 -0.958442 0.0414537 -369.976 -53.6021 19.9757 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.277093 0.908532 -0.155114 -0.27153 -46.1514 -240.167 -7.83095 # jumping subtree containing (T0187)G339 jump= 0.143978 -0.0165341 -0.988619 -0.0403654 -325.296 23.6215 31.809 # jumping subtree containing (T0187)K259 jump= 0.781708 0.557159 -0.0692611 -0.271496 -6.11296 -162.952 43.7255 # generation 173: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 62 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1341 ## JiggleSubtree 1116 ## OptSubtree 1959 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.807699 -0.195445 0.349613 -0.43266 -67.0493 -178.853 -121.209 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= 0.13703 -0.939334 -0.075644 0.30521 -14.6575 -137.325 -133.419 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= 0.841063 -0.106284 0.123496 -0.515815 -54.3728 -209.807 -48.2996 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.270176 0.292432 -0.46353 0.791598 -359.714 -102.46 82.3605 # Removing break before 94 # jumping subtree containing (T0187)G323 jump= 0.833223 0.163294 -0.524013 -0.0669642 -85.7818 -33.7788 146.386 # Removing break before 86 # Removing break before 86 # generation 174: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 64 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1356 ## JiggleSubtree 1116 ## OptSubtree 1966 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.215312 -0.625902 -0.0958147 -0.743443 -180.251 -101.624 146.002 # Removing break before 58 # jumping subtree containing (T0187)A336 jump= -0.999287 0.00337826 -0.00755173 0.0368287 22.8977 -23.2791 9.53122 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.740474 0.041373 0.643744 -0.188627 -171.531 71.7893 117.912 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.849651 -0.301839 -0.304045 0.307479 -94.7644 106.09 -6.52306 # jumping subtree containing (T0187)M291 jump= -0.415767 0.287509 -0.691575 -0.515946 -294.47 -44.1287 -141.408 # Removing break before 86 # generation 175: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 67 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1373 ## JiggleSubtree 1116 ## OptSubtree 1970 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= -0.13546 0.854642 0.306718 0.396436 -38.6234 -52.4341 107.64 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.983478 0.0161763 -0.113654 0.13997 -41.5634 30.9024 28.6133 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= -0.785045 -0.204393 0.570903 -0.126485 -135.195 -28.7848 142.414 # jumping subtree containing (T0187)M291 jump= 0.940241 -0.172974 0.27225 0.109116 -57.7226 30.4093 -107.877 # jumping subtree containing (T0187)M291 jump= -0.272775 0.20951 -0.831554 0.43614 -289.295 -148.869 -149.223 # jumping subtree containing (T0187)M291 jump= 0.585086 0.453142 0.590742 -0.321498 -83.046 -67.5742 -177.082 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # generation 176: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 68 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1386 ## JiggleSubtree 1117 ## OptSubtree 1979 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.900618 0.354643 -0.128531 0.215859 19.5722 -86.9069 -84.5478 # Removing break before 94 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.613768 -0.381105 0.665726 -0.186701 -138.613 -153.574 -188.599 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -1 0.000781005 -2.24855e-05 0.000549744 1.6993 -16.6593 -18.2335 # Removing break before 94 # generation 177: best score out of 40: T0187.try1-al10 71.7926 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 70 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1400 ## JiggleSubtree 1118 ## OptSubtree 1986 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= 0.98423 0.000949228 0.0640422 0.164892 -26.2719 48.4732 -7.70671 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)Y220 jump= 0.867381 0.418771 -0.258056 0.0754141 -59.0108 -39.8704 138.354 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 178: best score out of 40: T0187.try1-al10 71.7923 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 71 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1414 ## JiggleSubtree 1119 ## OptSubtree 1994 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.567928 0.0571422 -0.141692 0.808774 -277.323 29.7349 47.072 # Removing break before 94 # jumping subtree containing (T0187)K259 jump= 0.706545 0.147198 0.692167 -0.005634 -150.773 32.3527 -158.82 # jumping subtree containing (T0187)I271 jump= -0.00497231 0.249167 0.450904 0.857074 -319.561 -102.36 168.351 # jumping subtree containing (T0187)R299 jump= -0.376114 0.412238 0.753945 -0.346648 -215.109 82.0572 -57.1238 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= -0.60901 0.29113 -0.722444 -0.149747 -193.841 -48.0072 -183.094 # generation 179: best score out of 40: T0187.try1-al10 71.7923 cost/residue, 436 clashes 0.129905 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 98 ## TwoFragment 13 ## CrossOver 71 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1433 ## JiggleSubtree 1119 ## OptSubtree 1999 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I248 jump= 0.650166 0.393866 0.567229 -0.316868 -52.7707 -55.1216 -186.571 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)Y220 jump= 0.0495191 0.317707 0.868116 -0.378132 -248.286 46.236 -103.415 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.614072 0.0716458 -0.35626 -0.700615 -308.588 74.4009 -55.4318 # Removing break before 58 # jumping subtree containing (T0187)G323 jump= 0.295301 0.0311555 -0.231518 -0.926405 -227.64 -212.184 50.7599 # generation 180: best score out of 40: T0187.try1-al10 71.7677 cost/residue, 440 clashes 0.131272 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 99 ## TwoFragment 13 ## CrossOver 71 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1450 ## JiggleSubtree 1119 ## OptSubtree 2005 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.165543 -0.916295 0.342863 -0.124273 -105.659 -236.498 -57.1801 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.913378 -0.208809 0.244088 0.250121 -117.607 41.6844 -113.277 # jumping subtree containing (T0187)T350 jump= -0.984235 -0.00271712 -0.151837 -0.0906562 -36.9156 47.0623 -57.5593 # jumping subtree containing (T0187)T350 jump= 0.788207 -0.154056 0.593773 -0.0493088 -119.725 -39.4812 -187.408 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.425426 0.596702 0.673823 -0.0944575 -89.4302 64.3786 -92.9017 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.665487 0.719661 -0.0318574 0.195447 28.5911 -148.573 -56.7587 # jumping subtree containing (T0187)V317 jump= 0.760047 -0.0657823 -0.632358 -0.134626 -83.4373 -30.8382 171.238 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.745404 0.0606072 -0.389566 0.537529 -105.321 -190.377 -146.039 # generation 181: best score out of 40: T0187.try1-al10 71.7677 cost/residue, 440 clashes 0.131272 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 99 ## TwoFragment 13 ## CrossOver 71 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1463 ## JiggleSubtree 1123 ## OptSubtree 2012 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.988797 -0.0484009 0.0582414 -0.128631 -44.8093 58.4455 22.758 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= 0.482485 -0.394821 -0.774366 -0.108079 -173.004 77.9691 154.087 # jumping subtree containing (T0187)M291 jump= -0.0171902 0.352288 -0.910984 -0.213789 -352.097 -137.908 -25.7186 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.968169 -0.123884 0.203984 -0.0754498 1.09387 -28.1309 -102.604 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.858888 -0.432487 0.21245 -0.173585 -67.0237 -6.58298 133.466 # jumping subtree containing (T0187)G310 jump= -0.166819 0.793842 0.424787 -0.401924 -72.7247 -25.428 -114.366 # Removing break before 94 # jumping subtree containing (T0187)G323 jump= 0.962445 -0.181196 0.145522 -0.140326 13.1246 -80.7944 -76.7384 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.913009 0.167502 -0.206324 0.309496 23.1783 -113.04 -85.761 # jumping subtree containing (T0187)M291 jump= -0.999792 -0.00216296 -0.017305 0.0105791 -17.7519 -13.3345 -11.6337 # Removing break before 86 # Removing break before 58 # generation 182: best score out of 40: T0187.try1-al10 71.7677 cost/residue, 440 clashes 0.131272 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 99 ## TwoFragment 13 ## CrossOver 71 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1467 ## JiggleSubtree 1131 ## OptSubtree 2030 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.68536 0.190296 -0.103798 0.695194 -64.1243 -271.545 -15.7694 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.871997 -0.467636 0.00951477 -0.144383 -29.5271 -6.63975 62.4446 # jumping subtree containing (T0187)G201 jump= -0.770849 -0.350626 0.531394 -0.0217388 -135.718 -58.7979 171.09 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.0599977 0.966379 0.231019 0.0956127 2.19643 -93.8848 54.908 # generation 183: best score out of 40: T0187.try1-al10 71.7677 cost/residue, 440 clashes 0.131272 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 99 ## TwoFragment 13 ## CrossOver 72 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1477 ## JiggleSubtree 1134 ## OptSubtree 2040 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.943746 0.251016 -0.215173 0.00591563 -16.2866 -30.3812 -107.555 # jumping subtree containing (T0187)M291 jump= 0.70375 -0.264381 0.283943 0.595159 -218.082 34.2705 -137.054 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= 0.980911 0.184223 -0.0523567 -0.0336709 13.5141 -22.524 66.4983 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.96411 0.0232169 0.24032 0.110452 -27.6716 -58.2745 67.2689 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= -0.870883 -0.43288 -0.228537 0.0441438 -2.78924 -15.1439 -34.7077 # jumping subtree containing (T0187)K259 jump= -0.937181 -0.183895 -0.0259417 -0.295299 -95.3079 94.7618 47.3268 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.987001 0.0451851 0.0265454 -0.151932 -17.7814 52.7374 0.93507 # jumping subtree containing (T0187)T350 jump= -0.839756 0.117819 -0.0688036 0.525543 -43.072 -178.421 -32.1656 # jumping subtree containing (T0187)T350 jump= 0.456606 -0.145925 -0.479063 0.735334 -287.679 34.8276 -21.7069 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.587112 -0.000462041 0.776831 -0.227668 -193.658 -72.5893 -200.192 # jumping subtree containing (T0187)I271 jump= 0.950448 -0.0250603 0.276025 0.140825 -44.7099 37.5712 -118.567 # Removing break before 86 # Removing break before 86 # generation 184: best score out of 40: T0187.try1-al10 71.7677 cost/residue, 440 clashes 0.131272 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 99 ## TwoFragment 13 ## CrossOver 73 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1493 ## JiggleSubtree 1134 ## OptSubtree 2047 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.0678636 0.131592 0.661391 0.735282 -290.547 -74.5114 126.273 # jumping subtree containing (T0187)L301 jump= 0.0801505 0.247264 0.439045 0.860044 -285.32 -77.3306 99.7201 # jumping subtree containing (T0187)G266 jump= -0.841529 -0.0251544 0.135509 -0.522334 -153.013 106.333 23.0456 # jumping subtree containing (T0187)K259 jump= -0.889221 -0.392537 -0.204529 0.115624 13.2734 -46.7231 -13.459 # Removing break before 94 # jumping subtree containing (T0187)I271 jump= 0.981821 -0.0467536 -0.106902 0.14971 -43.3054 59.0828 39.8468 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.667582 -0.252279 -0.21978 0.665121 -56.2831 -202.422 -116.002 # generation 185: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 74 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1510 ## JiggleSubtree 1134 ## OptSubtree 2052 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= -0.990476 -0.0324328 -0.00428662 0.133743 14.3533 -36.953 -4.60179 # jumping subtree containing (T0187)A336 jump= -0.486905 0.279986 -0.0241767 0.827011 -149 -294.79 54.5749 # jumping subtree containing (T0187)L301 jump= 0.0829044 -0.569421 0.800474 -0.167715 -286.039 -208.59 -76.4159 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.883875 -0.370088 -0.264499 -0.108813 -27.7918 24.9185 1.79905 # jumping subtree containing (T0187)T350 jump= 0.969395 0.0986756 0.042392 -0.220772 3.83968 -102.658 1.01852 # jumping subtree containing (T0187)E312 jump= 0.864162 0.0751351 0.0683226 -0.49286 -8.55329 -144.267 -24.1692 # jumping subtree containing (T0187)M291 jump= -0.997885 -0.0341516 -0.0549407 0.00644583 26.8693 -16.9009 -12.555 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.39905 0.717039 -0.409369 -0.398787 -151.32 -278.423 7.4277 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.980279 0.0398236 -0.193388 0.00828048 -6.22039 -10.0484 71.812 # jumping subtree containing (T0187)A306 jump= 0.962583 -0.0122007 -0.094233 0.253783 -73.0265 78.2428 38.6401 # jumping subtree containing (T0187)L301 jump= 0.00478913 0.0284178 -0.883487 -0.467568 -290.658 -34.2223 40.1224 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= -0.454845 0.485094 -0.48803 0.565356 -161.428 -273.115 -82.1149 # Removing break before 86 # generation 186: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 75 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1516 ## JiggleSubtree 1143 ## OptSubtree 2060 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing (T0187)M291 jump= 0.518357 0.455864 -0.135007 0.710822 -187.967 2.56628 144.14 # Removing break before 86 # jumping subtree containing (T0187)I308 jump= 0.163449 0.00404532 -0.27518 0.947388 -311.522 -117.357 -46.0243 # Removing break before 41 # Removing break before 41 # Removing break before 41 # Removing break before 86 # Removing break before 58 # jumping subtree containing (T0187)G349 jump= -0.972402 -0.137904 0.176053 0.0664962 10.4925 -27.2257 53.7022 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.803579 0.247921 -0.199401 -0.503026 -148.394 66.9848 -94.8689 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.312764 -0.348311 -0.46746 -0.749893 -163.429 -128.529 138.122 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.410883 -0.201765 0.741701 -0.490251 -353.391 -37.1691 73.7902 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= -0.507572 -0.055128 -0.772387 -0.377822 -233.186 58.0602 -67.3788 # Removing break before 86 # Removing break before 94 # generation 187: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 75 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1528 ## JiggleSubtree 1152 ## OptSubtree 2072 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= -0.161367 0.839745 0.51608 -0.0495029 -13.926 10.6182 -11.9512 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= -0.877651 -0.290809 -0.360888 -0.122143 -49.5769 36.8066 -39.0777 # Removing break before 94 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G339 jump= 0.952187 0.0137541 -0.305115 -0.00748895 -26.029 -24.5752 122.502 # jumping subtree containing (T0187)I271 jump= -0.0361321 0.898649 0.397028 0.183012 14.938 -11.8301 48.5842 # jumping subtree containing (T0187)G339 jump= -0.239932 -0.328975 -0.890605 -0.202559 -229.221 65.9856 -15.9002 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= 0.896898 0.375114 -0.215805 -0.0910523 -27.0356 -115.569 150.132 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.148849 0.244463 -0.827491 0.483053 -329.44 -88.6784 -12.7413 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= 0.351358 0.864511 -0.203907 -0.295956 -46.5301 -246.58 6.58504 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.0331587 -0.947963 -0.106072 0.298356 -20.0429 -119.344 -119.975 # Removing break before 86 # generation 188: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 75 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1541 ## JiggleSubtree 1153 ## OptSubtree 2082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.150688 0.563901 0.00374767 0.81197 -223.483 -115.122 126.763 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)G339 jump= -0.389802 -0.0280067 -0.736958 -0.551509 -321.479 30.1064 -20.2061 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)G339 jump= 0.66956 -0.39465 -0.567283 -0.272267 -84.0839 -33.2905 124.455 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= 0.775049 -0.133391 -0.453433 0.419409 -164.037 84.0333 46.1477 # generation 189: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 77 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1558 ## JiggleSubtree 1153 ## OptSubtree 2087 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T236 jump= -0.916011 0.172471 0.123231 0.340576 21.6857 -116.669 15.472 # jumping subtree containing (T0187)G339 jump= -0.936803 0.259167 -0.222353 -0.0761056 -17.0337 0.603037 -110.01 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.85824 0.3225 0.0273652 -0.398333 11.4607 -179.53 -5.31336 # Removing break before 86 # Removing break before 86 # Removing break before 41 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)G323 jump= -0.823273 -0.351427 0.240672 -0.375228 -130.737 -1.17742 117.948 # Removing break before 41 # jumping subtree containing (T0187)G323 jump= 0.960076 -0.137224 -0.0452062 -0.23954 16.8416 -94.6073 3.39245 # generation 190: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 79 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1572 ## JiggleSubtree 1155 ## OptSubtree 2093 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.141226 -0.410983 0.446951 0.78191 -311.985 -131.458 -72.2745 # jumping subtree containing (T0187)M291 jump= -0.490006 0.353175 -0.796864 0.0130038 -248.875 -95.8011 -199.764 # jumping subtree containing (T0187)K265 jump= -0.687196 -0.324887 0.49536 -0.42051 -220.346 30.9988 172.818 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)L301 jump= -0.975181 0.119525 -0.1144 -0.147136 -35.6819 62.2241 -51.8369 # jumping subtree containing (T0187)L301 jump= -0.960103 -0.105664 0.214638 -0.144801 -61.2638 40.8743 73.8548 # jumping subtree containing (T0187)M291 jump= -0.073351 0.756851 -0.3574 0.542274 -184.991 -246.514 68.6884 # jumping subtree containing (T0187)A336 jump= 0.489603 -0.0553434 -0.338572 0.801621 -340.684 28.2116 -4.99399 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.9964 0.0469856 -0.0701524 -0.00758182 -25.0726 -8.75109 -25.3519 # jumping subtree containing (T0187)T350 jump= 0.188533 0.350688 0.146085 0.905612 -273.795 -95.8648 125.662 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.871789 -0.259989 0.15503 -0.38517 4.02516 -135.148 -53.3795 # Removing break before 94 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.480467 0.112713 0.471044 0.731139 -273.536 53.1549 8.87053 # Removing break before 94 # jumping subtree containing (T0187)I271 jump= 0.864708 0.215384 -0.349053 0.289917 -126.609 41.9523 151.846 # jumping subtree containing (T0187)L301 jump= 0.10131 -0.788993 -0.160137 0.584451 -99.8212 -91.4626 -172.025 # generation 191: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1587 ## JiggleSubtree 1156 ## OptSubtree 2099 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.714124 -0.129036 0.118726 0.677703 -82.7538 -247.428 14.2202 # jumping subtree containing (T0187)G201 jump= 0.964485 -0.068433 -0.0134096 -0.254768 7.04089 -82.1219 -27.0689 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.179513 0.648685 -0.430671 -0.601253 -252.374 -256.721 -69.2911 # jumping subtree containing (T0187)M291 jump= -0.815825 -0.403098 -0.0302982 -0.413551 -82.0836 47.3659 105.649 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.468238 -0.329611 -0.818912 0.0386374 -197.187 81.4652 46.453 # jumping subtree containing (T0187)G201 jump= 0.540073 -0.524007 -0.0428136 -0.657194 -78.2515 -192.089 75.6927 # generation 192: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1605 ## JiggleSubtree 1156 ## OptSubtree 2105 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= 0.237317 0.882318 -0.36076 -0.187211 -100.889 -284.179 4.851 # jumping subtree containing (T0187)M291 jump= 0.728602 -0.0225738 -0.637105 -0.250453 -164.519 -59.2734 159.711 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.614115 -0.127719 -0.0370747 0.77793 -265.452 80.3047 -34.6202 # jumping subtree containing (T0187)G321 jump= 0.771501 0.330172 0.53462 -0.0997691 -26.0439 7.53255 -78.8503 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)E338 jump= -0.708365 -0.46035 -0.164939 0.509011 -21.4619 -199.985 -100.606 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.965298 -0.0964797 -0.148426 -0.191995 19.5549 -86.9226 52.9294 # jumping subtree containing (T0187)G201 jump= -0.199259 0.138169 0.963963 0.109452 -275.845 45.3728 61.7659 # jumping subtree containing (T0187)M291 jump= 0.91122 0.344634 -0.104657 0.199881 -67.3697 15.4664 91.2222 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= 0.885345 -0.12112 -0.331036 -0.303165 -26.5631 -57.1828 96.398 # Removing break before 41 # Removing break before 86 # generation 193: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1620 ## JiggleSubtree 1156 ## OptSubtree 2114 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.809306 0.508969 -0.215006 -0.199366 -49.0215 -23.6202 -172.929 # Removing break before 86 # Removing break before 86 # Removing break before 41 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.994405 -0.0659574 -0.05785 0.0588313 4.07313 -38.7652 -30.7887 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.978045 -0.174342 0.0607782 0.0966435 -29.586 9.32385 -67.3488 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.516694 -0.761879 -0.196884 0.33735 8.04243 -156.081 -79.8761 # jumping subtree containing (T0187)T350 jump= -0.506235 0.506789 0.619223 0.321643 -87.2653 -27.9844 129.105 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.635854 -0.440805 -0.527319 0.351164 -140.375 86.8257 -45.17 # jumping subtree containing (T0187)M291 jump= 0.501662 -0.595324 -0.0139601 0.627478 -173.078 -3.7887 -192.73 # Removing break before 86 # Removing break before 41 # Removing break before 86 # generation 194: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1635 ## JiggleSubtree 1157 ## OptSubtree 2122 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= 0.240954 -0.565886 0.687751 -0.385633 -226.924 -259.156 -96.1727 # jumping subtree containing (T0187)I287 jump= -0.644128 0.0468972 0.763076 0.0247754 -216.53 32.0085 140.658 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.546629 0.130584 -0.799589 -0.211665 -229.416 -62.1526 147.659 # jumping subtree containing (T0187)A336 jump= -0.206858 0.0318515 0.422621 0.881809 -263.688 -193.913 117.761 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.0610846 0.377201 -0.137026 0.913899 -312.135 -153.862 86.8039 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= 0.972276 -0.0683043 -0.0997839 0.200144 -57.1224 79.4016 10.955 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.956187 0.0712514 -0.26969 0.0888631 -5.61096 -41.5177 -125.035 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.939802 -0.197449 -0.196783 -0.19764 -19.5112 38.2187 -2.30637 # jumping subtree containing (T0187)N242 jump= 0.0806162 0.309579 -0.87186 -0.37084 -369.499 -133.566 27.8167 # jumping subtree containing (T0187)M291 jump= 0.578547 0.33721 0.734591 0.109312 -140.335 103.164 -122.896 # Removing break before 41 # Removing break before 86 # Removing break before 41 # generation 195: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1652 ## JiggleSubtree 1157 ## OptSubtree 2129 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.784107 -0.236199 -0.419328 0.391854 -14.5871 -138.884 -147.412 # Removing break before 58 # jumping subtree containing (T0187)G201 jump= -0.999837 0.0137261 -0.00520193 -0.0104963 20.7903 19.3348 6.15686 # jumping subtree containing (T0187)M291 jump= 0.658818 0.708439 0.192324 0.16457 -37.2979 -26.9448 62.3879 # Removing break before 86 # Removing break before 86 # Removing break before 41 # jumping subtree containing (T0187)G201 jump= -0.948425 -0.0681695 -0.0525821 -0.305086 -67.8872 73.6788 0.256385 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= -0.999532 0.028551 0.0102266 -0.00403106 25.1332 9.32573 -6.86412 # generation 196: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1667 ## JiggleSubtree 1158 ## OptSubtree 2137 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # Removing break before 86 # Removing break before 41 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= 0.152478 0.638105 0.63128 0.413592 -130.06 59.9988 79.9175 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.0155337 -0.0817524 -0.691538 -0.717531 -353.233 -49.085 87.4419 # jumping subtree containing (T0187)M291 jump= -0.467322 -0.0119917 0.392381 -0.792151 -360.325 6.04271 0.216376 # jumping subtree containing (T0187)G323 jump= 0.998456 0.0493221 0.0041479 0.0252054 6.94065 8.37431 -16.5207 # Removing break before 86 # Removing break before 94 # Removing break before 86 # generation 197: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1687 ## JiggleSubtree 1158 ## OptSubtree 2141 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.155631 -0.841367 0.0453666 -0.515579 -53.7771 -187.928 111.237 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.85095 -0.441234 0.283781 0.0258089 -37.7184 -75.9396 -163.014 # Removing break before 86 # Removing break before 41 # jumping subtree containing (T0187)T350 jump= 0.798046 -0.364057 0.0922079 -0.471257 -23.259 -188.404 -49.8993 # jumping subtree containing (T0187)I308 jump= -0.599355 -0.0257124 -0.667121 -0.441658 -254.936 51.3779 -55.2906 # Removing break before 86 # Removing break before 41 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.735337 -0.161263 0.421118 -0.505898 -92.459 -163.568 -137.073 # Removing break before 94 # Removing break before 94 # Removing break before 58 # Removing break before 86 # Removing break before 58 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 198: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1707 ## JiggleSubtree 1158 ## OptSubtree 2145 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.657019 -0.736857 -0.125983 0.0974443 -6.11864 -20.8321 -90.0658 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.307954 0.398176 -0.0396349 0.863163 -196.127 -253.532 98.7841 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 41 # jumping subtree containing (T0187)A336 jump= -0.0934222 -0.552971 -0.156553 0.813011 -220.809 -184.082 -153.97 # jumping subtree containing (T0187)M291 jump= -0.982015 0.0500853 0.124493 -0.132815 -32.1355 58.6094 51.2613 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.231214 0.766878 -0.105314 0.589362 -140.732 -152.787 152.373 # Removing break before 86 # Removing break before 41 # Removing break before 94 # generation 199: best score out of 40: T0187.try1-al10 71.7023 cost/residue, 443 clashes 0.140852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 100 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1728 ## JiggleSubtree 1158 ## OptSubtree 2148 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.957836 -0.186018 0.218614 -0.0124231 -24.9103 -42.1778 -81.5894 # Removing break before 58 # jumping subtree containing (T0187)M291 jump= -0.271632 0.941357 0.19904 -0.0211105 2.16203 -82.1682 -47.9393 # jumping subtree containing (T0187)V315 jump= 0.282273 -0.00340831 -0.268487 0.920991 -311.834 -45.8159 -23.5138 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.978402 -0.158571 0.103981 -0.0822962 -1.06041 -26.7508 -74.9765 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.715009 -0.606879 0.346433 -0.0210731 -93.9879 -145.274 -158.379 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.811398 -0.329028 -0.0627578 0.478995 -140.608 72.1781 -101.939 # generation 200: best score out of 40: T0187.try1-al10 71.6112 cost/residue, 443 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 36 ## InsertFragment 101 ## TwoFragment 13 ## CrossOver 81 ## CrossAndInsert 42 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 66 ## ReduceBreak 0 ## CloseGap 1748 ## JiggleSubtree 1158 ## OptSubtree 2151 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_573871561.pdb -s /projects/compbio/tmp/to_scwrl_573871561.seq -o /projects/compbio/tmp/from_scwrl_573871561.pdb -a /projects/compbio/tmp/from_scwrl_573871561_a.pdb -b /projects/compbio/tmp/from_scwrl_573871561_b.pdb > /projects/compbio/tmp/scwrl_573871561.log # T0187.try1-al10-scwrl 71.4985 cost/residue 301 clashes 0.139136 breaks # filling super_pool to have at least 40 conformations # best score in super_pool out of 40: T0187.try1-al10-scwrl at pool[3] 71.4985 cost/residue, 301 clashes 0.139136 breaks # optimizing backbone with 40 conformations in pool # doing 200 generations, with 180 new conformations in each generation. # keep at most 16 conformations from old pool # generation 1: best score out of 40: T0187.try1-al10-scwrl 71.4985 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 10 ## InsertFragment 3 ## TwoFragment 8 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 5 ## OneRotamer 0 ## ClashingRotamer 2 ## ReduceBreak 1 ## CloseGap 0 ## JiggleSubtree 0 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 2: best score out of 40: T0187.try1-al10-scwrl 71.4985 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 16 ## InsertFragment 8 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 5 ## ReduceClash 14 ## OneRotamer 0 ## ClashingRotamer 4 ## ReduceBreak 2 ## CloseGap 1 ## JiggleSubtree 1 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 3: best score out of 40: T0187.try1-al10-scwrl 71.4985 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 18 ## InsertFragment 13 ## TwoFragment 12 ## CrossOver 0 ## CrossAndInsert 6 ## ReduceClash 23 ## OneRotamer 0 ## ClashingRotamer 6 ## ReduceBreak 5 ## CloseGap 2 ## JiggleSubtree 2 ## OptSubtree 0 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 4: best score out of 40: T0187.try1-al10-scwrl 71.4985 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 21 ## InsertFragment 16 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 7 ## ReduceClash 32 ## OneRotamer 0 ## ClashingRotamer 7 ## ReduceBreak 6 ## CloseGap 3 ## JiggleSubtree 4 ## OptSubtree 1 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # generation 5: best score out of 40: T0187.try1-al10-scwrl 71.4985 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 23 ## InsertFragment 20 ## TwoFragment 14 ## CrossOver 0 ## CrossAndInsert 11 ## ReduceClash 39 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 6 ## CloseGap 7 ## JiggleSubtree 5 ## OptSubtree 2 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 6: best score out of 40: T0187.try1-al10-scwrl 71.4985 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 27 ## InsertFragment 26 ## TwoFragment 15 ## CrossOver 0 ## CrossAndInsert 12 ## ReduceClash 45 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 6 ## CloseGap 11 ## JiggleSubtree 6 ## OptSubtree 3 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # generation 7: best score out of 40: T0187.try1-al10-scwrl 71.4362 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 29 ## TwoFragment 16 ## CrossOver 0 ## CrossAndInsert 13 ## ReduceClash 52 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 6 ## CloseGap 13 ## JiggleSubtree 10 ## OptSubtree 6 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # generation 8: best score out of 40: T0187.try1-al10-scwrl 71.4362 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 33 ## TwoFragment 17 ## CrossOver 0 ## CrossAndInsert 14 ## ReduceClash 54 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 22 ## JiggleSubtree 14 ## OptSubtree 8 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # generation 9: best score out of 40: T0187.try1-al10-scwrl 71.4362 cost/residue, 301 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 39 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 15 ## ReduceClash 59 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 25 ## JiggleSubtree 19 ## OptSubtree 11 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # generation 10: best score out of 40: T0187.try1-al10-scwrl 71.3819 cost/residue, 299 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 43 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 16 ## ReduceClash 60 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 30 ## JiggleSubtree 27 ## OptSubtree 16 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # generation 11: best score out of 40: T0187.try1-al10-scwrl 71.3819 cost/residue, 299 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 45 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 35 ## JiggleSubtree 36 ## OptSubtree 20 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G339 jump= 0.598669 0.535987 0.580296 -0.132548 -8.50751 -3.76056 -16.8223 # generation 12: best score out of 40: T0187.try1-al10-scwrl 71.3819 cost/residue, 299 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 45 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 40 ## JiggleSubtree 51 ## OptSubtree 24 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= -0.486184 0.351481 0.721227 -0.346292 -18.3323 18.8989 12.2297 # Removing break before 86 # generation 13: best score out of 40: T0187.try1-al10-scwrl 71.3819 cost/residue, 299 clashes 0.139136 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 45 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 61 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 45 ## JiggleSubtree 64 ## OptSubtree 30 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.993686 -0.047721 -0.0609612 0.0812125 -9.96152 14.3339 4.8064 # generation 14: best score out of 40: T0187.try1-al10-scwrl 71.3318 cost/residue, 306 clashes 0.138728 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 45 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 19 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 51 ## JiggleSubtree 77 ## OptSubtree 34 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= -0.995972 0.0592919 0.029359 -0.0605223 -2.85323 -9.85557 -23.4286 # Removing break before 94 # Removing break before 86 # Removing break before 94 # generation 15: best score out of 40: T0187.try1-al10-scwrl 71.3318 cost/residue, 306 clashes 0.138728 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 47 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 62 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 54 ## JiggleSubtree 89 ## OptSubtree 40 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= -0.0637045 0.96544 -0.162621 0.193449 5.81262 -14.4308 2.04498 # Removing break before 86 # generation 16: best score out of 40: T0187.try1-al10-scwrl 71.2374 cost/residue, 299 clashes 0.135614 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 47 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 63 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 59 ## JiggleSubtree 102 ## OptSubtree 46 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 94 # Removing break before 94 # Removing break before 86 # generation 17: best score out of 40: T0187.try1-al10-scwrl 71.2374 cost/residue, 299 clashes 0.135614 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 48 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 20 ## ReduceClash 65 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 64 ## JiggleSubtree 111 ## OptSubtree 54 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 41 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= 0.0833138 -0.430672 -0.884164 0.160735 -58.2616 35.4429 85.1405 # generation 18: best score out of 40: T0187.try1-al10-scwrl 71.0549 cost/residue, 308 clashes 0.137963 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 48 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 66 ## JiggleSubtree 125 ## OptSubtree 63 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)M291 jump= -0.900438 0.0401399 0.0650583 0.428214 -4.68126 -17.6406 -23.3053 # jumping subtree containing (T0187)I287 jump= -0.555613 -0.125561 0.0433901 -0.820759 -25.9183 49.2969 13.7118 # Removing break before 86 # Removing break before 86 # generation 19: best score out of 40: T0187.try1-al10-scwrl 71.0549 cost/residue, 308 clashes 0.137963 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 49 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 70 ## JiggleSubtree 139 ## OptSubtree 72 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.319623 0.136528 -0.937423 -0.0209753 -1.35451 -18.7987 55.0048 # Removing break before 41 # jumping subtree containing (T0187)I271 jump= -0.959764 -0.166185 0.224975 -0.0249298 37.1157 20.2332 -10.7372 # Removing break before 94 # generation 20: best score out of 40: T0187.try1-al10-scwrl 71.0402 cost/residue, 304 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 74 ## JiggleSubtree 153 ## OptSubtree 87 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G339 jump= 0.657142 0.330952 -0.237306 0.634288 -20.4806 49.8733 4.43033 # jumping subtree containing (T0187)T350 jump= -0.840704 -0.0811289 -0.5308 -0.0699 -57.5523 33.9053 -8.49661 # jumping subtree containing (T0187)I271 jump= -0.999672 0.015068 -0.007988 -0.0191005 -3.46756 -10.3666 27.5921 # jumping subtree containing (T0187)M291 jump= 0.221858 0.772101 0.487501 0.342027 -40.3072 33.8848 72.7755 # Removing break before 86 # generation 21: best score out of 40: T0187.try1-al10-scwrl 71.04 cost/residue, 304 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 0 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 81 ## JiggleSubtree 164 ## OptSubtree 95 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.649426 -0.589827 0.394079 -0.273956 12.885 96.649 108.251 # Removing break before 86 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.850938 0.394351 0.0482535 0.343603 -1.10445 50.3695 -11.3228 # Removing break before 86 # Removing break before 86 # generation 22: best score out of 40: T0187.try1-al10-scwrl 71.04 cost/residue, 304 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 1 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 82 ## JiggleSubtree 186 ## OptSubtree 104 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.212515 0.883308 0.297036 0.293895 -35.2842 55.0143 127.032 # generation 23: best score out of 40: T0187.try1-al10-scwrl 71.04 cost/residue, 304 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 1 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 86 ## JiggleSubtree 198 ## OptSubtree 112 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I271 jump= 0.238789 -0.891361 -0.384092 -0.0304722 -43.4848 72.0051 109.75 # Removing break before 94 # Removing break before 41 # jumping subtree containing (T0187)G339 jump= 0.726487 -0.195977 -0.571136 -0.328044 12.3357 -60.1878 55.7177 # jumping subtree containing (T0187)G310 jump= -0.40398 -0.750711 0.520901 -0.0435295 -12.6228 7.54875 37.1672 # jumping subtree containing (T0187)M291 jump= -0.980412 0.0757043 0.129488 0.12765 9.02472 5.97618 14.2128 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.769615 0.615787 -0.13794 -0.0973224 23.0382 -14.9702 40.485 # Removing break before 86 # Removing break before 86 # generation 24: best score out of 40: T0187.try1-al10-scwrl 71.0372 cost/residue, 304 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 2 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 90 ## JiggleSubtree 210 ## OptSubtree 119 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # generation 25: best score out of 40: T0187.try1-al10-scwrl 71.0372 cost/residue, 304 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 2 ## CrossAndInsert 22 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 97 ## JiggleSubtree 220 ## OptSubtree 126 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= 0.450006 -0.179046 -0.588829 -0.647084 -31.4378 -33.364 31.8258 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)I271 jump= -0.537442 0.371501 -0.753422 -0.0741543 -56.7933 -59.6371 51.3451 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.130631 0.707574 -0.0900479 -0.688597 11.3372 -2.39749 -10.1687 # Removing break before 86 # generation 26: best score out of 40: T0187.try1-al10-scwrl 71.0206 cost/residue, 316 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 2 ## CrossAndInsert 23 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 100 ## JiggleSubtree 235 ## OptSubtree 135 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= -0.917017 -0.218314 0.306124 0.13307 20.6287 7.6037 51.2193 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.113749 -0.598095 -0.774929 -0.16979 -40.51 39.2241 20.2094 # Removing break before 86 # generation 27: best score out of 40: T0187.try1-al10-scwrl 71.0205 cost/residue, 316 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 2 ## CrossAndInsert 23 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 101 ## JiggleSubtree 252 ## OptSubtree 141 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 28: best score out of 40: T0187.try1-al10-scwrl 71.0205 cost/residue, 316 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 2 ## CrossAndInsert 23 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 104 ## JiggleSubtree 267 ## OptSubtree 155 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.270385 0.887245 -0.0838451 0.364222 -12.3925 55.957 96.3477 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 41 # generation 29: best score out of 40: T0187.try1-al10-scwrl 71.0205 cost/residue, 316 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 50 ## TwoFragment 18 ## CrossOver 3 ## CrossAndInsert 23 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 107 ## JiggleSubtree 279 ## OptSubtree 166 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= 0.994561 -0.000341623 0.0346835 -0.0982128 -37.3281 1.01248 7.21253 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.863405 0.216668 -0.208979 0.404863 -42.9397 -26.2688 1.5498 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= 0.986551 -0.0453735 0.0788547 0.135795 -30.4942 -11.3941 1.63976 # jumping subtree containing (T0187)I271 jump= -0.843011 0.0318607 -0.133756 0.520025 -63.9923 37.9571 1.93154 # generation 30: best score out of 40: T0187.try1-al10-scwrl 70.9699 cost/residue, 317 clashes 0.145439 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 3 ## CrossAndInsert 23 ## ReduceClash 66 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 112 ## JiggleSubtree 287 ## OptSubtree 177 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.455022 0.12524 0.549861 0.689146 -24.483 -34.7725 28.0895 # jumping subtree containing (T0187)G323 jump= 0.675794 0.281988 0.0647447 0.677933 -34.824 85.0881 19.1067 # Removing break before 86 # generation 31: best score out of 40: T0187.try1-al10-scwrl 70.5421 cost/residue, 296 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 3 ## CrossAndInsert 24 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 116 ## JiggleSubtree 295 ## OptSubtree 187 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.436732 0.750553 0.297324 -0.396905 18.383 27.2769 49.5616 # jumping subtree containing (T0187)G311 jump= 0.821355 -0.439277 0.174755 -0.319174 -51.0956 -35.0253 19.2932 # jumping subtree containing (T0187)L301 jump= -0.999378 -0.00711402 -0.0330407 -0.0100699 -2.12333 6.55441 -18.1232 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 32: best score out of 40: T0187.try1-al10-scwrl 70.5421 cost/residue, 296 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 4 ## CrossAndInsert 25 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 118 ## JiggleSubtree 314 ## OptSubtree 197 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)S225 jump= -0.361018 0.0140721 -0.731166 0.578674 -89.2169 45.7291 64.2659 # jumping subtree containing (T0187)A334 jump= 0.695155 -0.144823 -0.645493 -0.281292 28.049 -51.9314 92.0518 # jumping subtree containing (T0187)A336 jump= -0.844456 0.519132 -0.0833191 -0.102245 -17.855 -61.9251 40.3207 # Removing break before 86 # Removing break before 86 # Removing break before 41 # Removing break before 86 # generation 33: best score out of 40: T0187.try1-al10-scwrl 70.5421 cost/residue, 296 clashes 0.145462 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 51 ## TwoFragment 18 ## CrossOver 4 ## CrossAndInsert 25 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 122 ## JiggleSubtree 333 ## OptSubtree 208 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.434766 0.416908 0.753277 -0.264082 -14.6702 58.0648 139.968 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.0698825 0.426491 0.517996 0.738175 -115.53 -4.35014 75.8404 # Removing break before 86 # generation 34: best score out of 40: T0187.try1-al10-scwrl 70.4914 cost/residue, 297 clashes 0.145439 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 4 ## CrossAndInsert 25 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 124 ## JiggleSubtree 351 ## OptSubtree 219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)S225 jump= -0.85959 0.163407 0.341387 -0.343305 56.9539 45.4838 69.5191 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G339 jump= 0.901441 0.236217 -0.292003 0.215267 59.6241 46.2611 45.1915 # jumping subtree containing (T0187)T350 jump= -0.545045 -0.531074 0.408402 0.504077 32.4845 -15.501 54.0206 # Removing break before 41 # generation 35: best score out of 40: T0187.try1-al10-scwrl 70.4913 cost/residue, 297 clashes 0.145439 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 5 ## CrossAndInsert 25 ## ReduceClash 67 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 130 ## JiggleSubtree 361 ## OptSubtree 226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.299411 0.608059 0.580803 -0.450871 11.5528 83.7355 114.027 # Removing break before 86 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.990998 -0.114919 -0.0675156 -0.0125886 -26.6173 -2.72418 -23.5569 # jumping subtree containing (T0187)I271 jump= -0.644972 0.119544 -0.0837668 -0.750136 0.661759 51.3471 -22.2256 # jumping subtree containing (T0187)M291 jump= -0.995485 0.0718317 -0.0275499 -0.055594 12.5917 -1.52547 -4.58855 # jumping subtree containing (T0187)S225 jump= 0.457917 -0.304277 -0.761213 0.343923 18.0568 20.0981 123.369 # generation 36: best score out of 40: T0187.try1-al10-scwrl 70.4521 cost/residue, 297 clashes 0.145061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 5 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 135 ## JiggleSubtree 377 ## OptSubtree 238 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 41 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 41 # Removing break before 94 # generation 37: best score out of 40: T0187.try1-al10-scwrl 70.4521 cost/residue, 297 clashes 0.145061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 5 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 137 ## JiggleSubtree 392 ## OptSubtree 250 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.842943 -0.244839 -0.473672 0.0716644 32.5775 -4.12369 92.3395 # Removing break before 86 # Removing break before 41 # jumping subtree containing (T0187)T350 jump= -0.221645 -0.386776 -0.885049 0.13404 -93.4005 65.439 113.969 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= 0.30488 0.089485 -0.185939 0.929767 -97.7413 58.6767 43.0105 # Removing break before 94 # jumping subtree containing (T0187)M291 jump= -0.597707 -0.153309 -0.299058 -0.727878 -82.9369 67.6618 -30.2469 # generation 38: best score out of 40: T0187.try1-al10-scwrl 70.452 cost/residue, 297 clashes 0.145061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 5 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 139 ## JiggleSubtree 411 ## OptSubtree 262 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A334 jump= -0.999949 0.001586 0.000922547 -0.00996433 16.926 -9.06938 -8.19568 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 41 # jumping subtree containing (T0187)G339 jump= -0.484822 -0.791613 0.156357 0.337415 44.7529 70.7458 65.7368 # Removing break before 41 # Removing break before 86 # generation 39: best score out of 40: T0187.try1-al10-scwrl 70.452 cost/residue, 297 clashes 0.145061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 6 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 144 ## JiggleSubtree 421 ## OptSubtree 273 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.220071 -0.798571 0.291949 -0.478141 -57.0411 58.0528 124.403 # Removing break before 86 # jumping subtree containing (T0187)S225 jump= 0.573064 -0.437619 0.665879 -0.191551 -134.107 -57.8323 31.3055 # jumping subtree containing (T0187)I271 jump= -0.920551 0.149163 0.13759 -0.333775 40.1049 15.6145 26.0401 # generation 40: best score out of 40: T0187.try1-al10-scwrl 70.4518 cost/residue, 297 clashes 0.145061 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 6 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 147 ## JiggleSubtree 433 ## OptSubtree 282 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.926959 0.214198 0.16865 -0.257728 33.8084 20.9828 34.3251 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.968468 -0.243598 0.0354931 -0.0383298 5.60061 32.8117 34.4842 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.533948 0.213273 0.784762 0.231437 16.0914 -67.8901 135.867 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.123302 0.461286 0.728536 0.491169 -71.9078 -57.6228 123.884 # jumping subtree containing (T0187)A336 jump= -0.999604 0.0213442 0.0180516 0.00322407 -5.18915 0.650645 -9.52998 # generation 41: best score out of 40: T0187.try1-al10-scwrl 70.4517 cost/residue, 297 clashes 0.145062 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 52 ## TwoFragment 18 ## CrossOver 6 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 153 ## JiggleSubtree 441 ## OptSubtree 292 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= 0.925484 -0.0333189 0.282459 0.250171 -62.1626 -12.2747 -22.2553 # Removing break before 86 # jumping subtree containing (T0187)V317 jump= -0.675116 0.502542 0.137104 -0.522372 93.8837 7.52674 81.5606 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= 0.797347 0.32767 0.00782631 0.506764 -6.40724 101.984 32.5576 # jumping subtree containing (T0187)T350 jump= -0.535442 -0.215954 -0.616029 0.535886 -141.309 127.06 125.957 # Removing break before 86 # Removing break before 41 # jumping subtree containing (T0187)R299 jump= 0.550751 -0.470457 0.494871 0.480048 29.6063 -52.2575 108.521 # Removing break before 86 # jumping subtree containing (T0187)G311 jump= -0.238157 0.156585 -0.826103 -0.486124 -78.8971 -92.2581 94.7118 # generation 42: best score out of 40: T0187.try1-al10-scwrl 70.4217 cost/residue, 297 clashes 0.142401 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 6 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 156 ## JiggleSubtree 450 ## OptSubtree 303 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I271 jump= -0.929422 -0.351915 -0.0919514 -0.0622579 -37.9254 142.645 -6.98524 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 58 # generation 43: best score out of 40: T0187.try1-al10-scwrl 70.4217 cost/residue, 297 clashes 0.142401 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 6 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 160 ## JiggleSubtree 465 ## OptSubtree 308 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)N242 jump= -0.777138 0.111669 0.619338 -0.00264763 29.2677 -20.0965 99.0442 # jumping subtree containing (T0187)I271 jump= -0.933685 -0.15375 0.240718 -0.215981 36.4151 47.4982 37.6647 # jumping subtree containing (T0187)K229 jump= -0.924471 0.25707 0.133162 0.248066 -29.9019 -57.3548 43.0762 # jumping subtree containing (T0187)G339 jump= -0.960961 -0.219305 0.14483 -0.0865089 15.0369 17.6355 13.3157 # Removing break before 41 # jumping subtree containing (T0187)T350 jump= -0.983322 0.0427076 -0.148214 0.0963683 -55.64 0.607119 31.8298 # generation 44: best score out of 40: T0187.try1-al10-scwrl 70.4217 cost/residue, 297 clashes 0.142401 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 6 ## CrossAndInsert 25 ## ReduceClash 68 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 164 ## JiggleSubtree 483 ## OptSubtree 320 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= 0.754883 -0.325683 -0.462485 -0.331949 -18.9953 -91.3064 93.6853 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 45: best score out of 40: T0187.try1-al10-scwrl 70.2728 cost/residue, 303 clashes 0.14053 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 8 ## CrossAndInsert 25 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 171 ## JiggleSubtree 491 ## OptSubtree 326 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 58 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.772645 -0.199924 0.57614 0.176388 41.1851 3.72141 63.6741 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 46: best score out of 40: T0187.try1-al10-scwrl 70.2727 cost/residue, 303 clashes 0.14053 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 8 ## CrossAndInsert 25 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 177 ## JiggleSubtree 501 ## OptSubtree 334 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing (T0187)T350 jump= -0.459165 -0.37597 -0.105595 0.797912 -20.4086 60.7204 -22.628 # Removing break before 41 # jumping subtree containing (T0187)S225 jump= -0.947846 -0.0283995 -0.0397318 -0.314966 -7.8435 41.5915 10.4018 # Removing break before 94 # jumping subtree containing (T0187)K295 jump= 0.938444 0.0965466 -0.289006 0.16272 46.0236 23.2214 23.9426 # jumping subtree containing (T0187)T350 jump= 0.99251 -0.0872674 0.0421382 0.0743808 -5.77928 -28.0044 1.3808 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.426475 0.898649 0.0777333 -0.0671369 -9.00262 137.848 71.4499 # Removing break before 86 # Removing break before 86 # Removing break before 58 # Removing break before 86 # generation 47: best score out of 40: T0187.try1-al10-scwrl 70.2727 cost/residue, 303 clashes 0.14053 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 8 ## CrossAndInsert 25 ## ReduceClash 69 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 179 ## JiggleSubtree 521 ## OptSubtree 346 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G339 jump= -0.920007 0.357385 -0.160821 0.000439512 -14.316 -54.2601 51.0251 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.585321 -0.46424 0.00371695 0.66473 -17.1286 39.259 -4.87907 # jumping subtree containing (T0187)L301 jump= 0.961936 0.232665 -0.138703 -0.0361691 15.878 21.7749 -7.7338 # jumping subtree containing (T0187)S225 jump= -0.450775 -0.828045 -0.076137 0.324571 46.0154 125.13 71.8813 # jumping subtree containing (T0187)T350 jump= -0.998214 0.00280429 0.0122216 -0.0584087 6.72233 -17.7917 -10.5546 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.987111 0.0254328 -0.154965 -0.0308497 -32.5375 1.8139 16.4298 # jumping subtree containing (T0187)T350 jump= 0.400569 -0.603108 0.644916 -0.244721 -41.7308 8.57556 162.352 # jumping subtree containing (T0187)A336 jump= 0.466784 0.389979 0.169955 -0.775335 -54.951 56.1656 -24.2071 # jumping subtree containing (T0187)K259 jump= -0.978174 -0.174662 -0.0909963 -0.0662528 -28.1934 28.0652 -24.5688 # Removing break before 86 # Removing break before 86 # Removing break before 86 # generation 48: best score out of 40: T0187.try1-al10-scwrl 70.1548 cost/residue, 304 clashes 0.136809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 183 ## JiggleSubtree 527 ## OptSubtree 358 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G339 jump= -0.498591 -0.423392 0.728344 0.204111 37.7596 -3.46387 136.14 # Removing break before 41 # jumping subtree containing (T0187)T350 jump= -0.5546 -0.619218 -0.390522 -0.395577 -77.0667 96.9053 37.5786 # Removing break before 86 # jumping subtree containing (T0187)S225 jump= 0.586675 0.221761 0.754398 -0.193695 -127.672 44.1988 75.7735 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.745254 -0.329477 0.252339 0.521888 -6.06495 5.69552 11.8659 # generation 49: best score out of 40: T0187.try1-al10-scwrl 70.1548 cost/residue, 304 clashes 0.136809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 537 ## OptSubtree 368 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.945509 0.0361244 -0.0591442 0.318136 -35.6509 -43.7832 13.6382 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= 0.999466 -0.00943548 0.0295795 -0.0102001 1.82254 23.7374 -9.59967 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.113679 -0.0914765 0.914838 0.376537 -67.0306 -42.6501 137.124 # jumping subtree containing (T0187)F309 jump= 0.870879 0.333678 -0.00491903 -0.360839 -11.6759 26.1809 27.3732 # generation 50: best score out of 40: T0187.try1-al10-scwrl 70.1546 cost/residue, 304 clashes 0.136809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 550 ## OptSubtree 387 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.00275622 0.121491 0.507502 0.853038 -114.924 -30.9915 4.68717 # jumping subtree containing (T0187)A336 jump= -0.917863 -0.347218 0.0571821 0.183567 40.1419 41.7397 30.1605 # jumping subtree containing (T0187)G323 jump= 0.0317949 0.0390207 -0.661569 -0.748193 -48.5312 -29.4613 22.5862 # Removing break before 58 # Removing break before 86 # Removing break before 94 # Removing break before 86 # generation 51: best score out of 40: T0187.try1-al10-scwrl 70.1544 cost/residue, 304 clashes 0.136809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 563 ## OptSubtree 400 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.325516 0.0126053 -0.42371 0.845192 -15.0232 121.308 41.403 # Removing break before 86 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.896414 -0.355195 -0.0386916 -0.262261 -24.9686 73.4305 -4.63798 # Removing break before 41 # jumping subtree containing (T0187)F309 jump= 0.999024 -0.0154474 0.0411824 -0.00417488 2.01465 1.25216 13.6516 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I344 jump= -0.642085 -0.514932 -0.529749 -0.204786 -117.357 64.7245 98.8437 # jumping subtree containing (T0187)T350 jump= 0.315818 0.726066 0.262647 0.551456 -113.905 77.0321 90.5391 # jumping subtree containing (T0187)F309 jump= -0.534935 0.277664 -0.793275 0.0863884 -106.867 -41.7484 121.692 # generation 52: best score out of 40: T0187.try1-al10-scwrl 70.1544 cost/residue, 304 clashes 0.136809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 9 ## CrossAndInsert 25 ## ReduceClash 70 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 572 ## OptSubtree 415 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.999981 0.00454739 -0.00330272 -0.0026331 23.729 -3.57713 -13.6104 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.977836 -0.0770427 -0.181088 -0.071469 68.024 -32.9995 13.8079 # jumping subtree containing (T0187)A336 jump= -0.821294 -0.0514843 0.566906 0.0379801 102.861 -11.8456 76.5582 # jumping subtree containing (T0187)T350 jump= -0.0813834 0.277222 -0.127712 -0.948796 1.88074 48.1375 -9.33619 # jumping subtree containing (T0187)L301 jump= 0.87133 -0.450942 0.0579393 0.184606 15.9277 -47.2279 19.339 # Removing break before 86 # generation 53: best score out of 40: T0187.try1-al10-scwrl 70.1329 cost/residue, 304 clashes 0.136809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 583 ## OptSubtree 425 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N242 jump= 0.0713478 -0.977389 -0.0893927 0.177848 11.478 69.6697 238.109 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)E328 jump= -0.297976 -0.703021 -0.0775161 0.641065 45.8967 106.105 84.8236 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.0429945 -0.269497 -0.846968 0.456254 -4.65181 109.669 194.084 # jumping subtree containing (T0187)T350 jump= 0.983229 0.153379 -0.0967335 -0.0194549 29.2183 4.87812 12.464 # jumping subtree containing (T0187)K295 jump= 0.266368 0.355003 -0.484702 -0.753714 32.6786 -99.1152 72.1811 # Removing break before 41 # generation 54: best score out of 40: T0187.try1-al10-scwrl 70.1327 cost/residue, 304 clashes 0.136809 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 53 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 595 ## OptSubtree 438 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.61204 -0.0428115 -0.754085 0.234372 -115.555 71.8184 161.257 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.992119 0.0127186 -0.110436 -0.0578183 12.8861 -21.0844 1.42625 # Removing break before 94 # jumping subtree containing (T0187)K259 jump= -0.888808 -0.450821 -0.0817607 -0.0097757 -11.8529 91.4878 -0.0172012 # jumping subtree containing (T0187)T350 jump= 0.99986 -0.000246438 0.0166972 -0.000463595 10.8354 -7.7322 18.1153 # Removing break before 86 # jumping subtree containing (T0187)M291 jump= -0.27783 0.0267149 0.311059 0.908482 -27.6855 -14.0752 2.00627 # generation 55: best score out of 40: T0187.try1-al10-scwrl 70.0009 cost/residue, 308 clashes 0.134038 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 55 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 614 ## OptSubtree 450 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.301583 -0.487504 -0.233934 -0.785279 -66.2366 29.2502 36.0713 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.729536 -0.369596 0.289665 -0.497263 -95.2606 -24.2543 81.3124 # Removing break before 86 # jumping subtree containing (T0187)E328 jump= -0.605133 -0.70092 0.377135 0.0171481 79.3101 121.141 128.311 # jumping subtree containing (T0187)I272 jump= -0.896293 -0.18048 -0.380048 -0.140174 -75.0234 52.3691 27.6161 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.981903 0.0750237 0.0233175 -0.172319 -31.5844 35.897 -17.6895 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)E328 jump= 0.451969 -0.240146 -0.853222 0.100328 39.5502 6.80936 200.902 # jumping subtree containing (T0187)N242 jump= -0.853229 0.182622 0.0936605 0.479455 -20.6556 -44.1 23.7344 # Removing break before 86 # generation 56: best score out of 40: T0187.try1-al10-scwrl 70.0008 cost/residue, 308 clashes 0.134038 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 55 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 634 ## OptSubtree 461 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.0871364 0.0975181 0.041584 0.990539 -54.2219 61.9342 8.58983 # jumping subtree containing (T0187)A336 jump= -0.67854 0.36422 0.14206 0.621889 -79.8298 -60.1946 72.8074 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.517951 -0.774352 -0.355982 0.0733668 -56.8293 130.964 114.12 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= 0.959705 -0.143853 -0.227302 0.0812792 54.8299 -42.7091 55.1704 # generation 57: best score out of 40: T0187.try1-al10-scwrl 70.0008 cost/residue, 308 clashes 0.134038 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 55 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 71 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 653 ## OptSubtree 473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 41 # jumping subtree containing (T0187)G201 jump= -0.862307 -0.365764 0.170394 0.305956 10.5674 43.5384 29.8467 # jumping subtree containing (T0187)A336 jump= -0.259773 -0.40769 0.685006 0.545044 82.4573 -69.8763 149.574 # jumping subtree containing (T0187)T350 jump= 0.538317 -0.450037 -0.691406 0.172162 35.9202 -1.15172 206.936 # jumping subtree containing (T0187)A336 jump= 0.418249 -0.0145036 0.562163 -0.713324 -124.534 94.9743 75.1351 # Removing break before 86 # generation 58: best score out of 40: T0187.try1-al10-scwrl 69.9419 cost/residue, 306 clashes 0.134116 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 55 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 660 ## OptSubtree 489 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.0968588 -0.627764 -0.742429 0.212907 2.7658 96.702 248.488 # jumping subtree containing (T0187)A336 jump= -0.0441441 -0.373179 -0.697183 0.610512 8.33372 161.691 155.188 # jumping subtree containing (T0187)I287 jump= -0.997741 0.0316006 -0.00327059 -0.0591974 3.04026 8.96615 24.4338 # jumping subtree containing (T0187)A336 jump= -0.827361 -0.312122 -0.206209 -0.418964 -70.8164 85.4999 -15.5388 # jumping subtree containing (T0187)E328 jump= 0.177798 0.517502 0.813575 0.196658 -119.652 25.739 194.34 # jumping subtree containing (T0187)G201 jump= 0.752853 0.588802 0.00494943 0.294109 -74.7351 156.496 104.59 # jumping subtree containing (T0187)A336 jump= -0.142824 -0.941967 -0.0178586 0.303283 39.1525 94.8281 154.071 # jumping subtree containing (T0187)A336 jump= 0.29332 0.861288 0.368008 0.191617 -67.658 112.011 165.129 # jumping subtree containing (T0187)K259 jump= 0.639169 0.617169 0.448946 0.0949387 -112.85 115.548 94.6776 # Removing break before 86 # generation 59: best score out of 40: T0187.try1-al10-scwrl 69.9419 cost/residue, 306 clashes 0.134116 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 55 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 674 ## OptSubtree 499 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.3555 -0.374868 -0.554214 -0.652641 -108.993 3.71204 62.2803 # jumping subtree containing (T0187)G201 jump= -0.492219 0.831415 -0.182291 0.182318 -40.427 -23.5496 226.777 # Removing break before 86 # jumping subtree containing (T0187)S225 jump= 0.352063 -0.54688 -0.362589 0.66746 114.675 105.559 116.356 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= 0.113103 -0.112296 0.959171 -0.233641 -63.3063 42.6755 236.956 # generation 60: best score out of 40: T0187.try1-al10-scwrl 69.9417 cost/residue, 306 clashes 0.134116 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 55 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 691 ## OptSubtree 516 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.843787 -0.0444175 -0.356892 0.398345 113.172 67.2133 62.039 # jumping subtree containing (T0187)I272 jump= -0.975526 0.0275165 -0.123021 -0.180162 4.03284 -27.6549 0.648966 # jumping subtree containing (T0187)T350 jump= -0.778157 -0.478164 0.165087 -0.372259 21.6354 117.663 44.7071 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= -0.534731 0.416671 0.50146 -0.537575 104.759 22.825 93.9617 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.976921 0.158288 0.133881 -0.0514309 -45.8215 40.5043 -11.7969 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.998661 -0.046766 -0.0217711 -0.00396457 5.95123 31.4583 -19.8236 # generation 61: best score out of 40: T0187.try1-al10-scwrl 69.9414 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 10 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 703 ## OptSubtree 529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I287 jump= 0.984539 0.0398084 -0.148837 -0.0833431 45.6326 -3.31548 11.6653 # jumping subtree containing (T0187)T350 jump= 0.999999 -0.00067454 -8.23571e-05 -0.00105354 -11.5347 20.0355 -8.53348 # jumping subtree containing (T0187)I287 jump= -0.114922 0.695159 -0.614955 -0.354086 151.844 7.97288 232.428 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.922297 -0.242611 -0.300594 0.0122848 -99.874 61.6449 -10.9221 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.987694 -0.115173 0.0973404 -0.0414771 26.0843 40.6581 -10.1027 # jumping subtree containing (T0187)I287 jump= -0.491078 0.849073 -0.181833 -0.069677 27.8927 -79.8003 199.869 # generation 62: best score out of 40: T0187.try1-al10-scwrl 69.9414 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 11 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 717 ## OptSubtree 538 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R299 jump= 0.840785 -0.171232 -0.494714 0.137905 134.405 5.0247 113.255 # jumping subtree containing (T0187)Q327 jump= 0.951714 0.0708314 0.283259 0.0948073 -55.7769 -7.09677 0.207683 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.970258 -0.192512 0.000657816 -0.146759 -25.393 -12.1551 16.9229 # jumping subtree containing (T0187)G201 jump= 0.761232 0.066097 0.0310736 -0.644353 -102.004 53.2991 0.371684 # jumping subtree containing (T0187)T350 jump= -0.396604 0.659657 -0.584994 -0.255617 -2.13056 -59.0963 180.272 # generation 63: best score out of 40: T0187.try1-al10-scwrl 69.9411 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 11 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 727 ## OptSubtree 552 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S207 jump= 0.308928 -0.19236 -0.473925 -0.801846 -116.482 -61.6224 61.5409 # jumping subtree containing (T0187)Q327 jump= -0.989808 -0.12187 -0.0685607 -0.0269841 -17.0666 54.363 6.33379 # jumping subtree containing (T0187)I271 jump= -0.701532 -0.612675 -0.191644 0.309443 -30.8955 145.318 57.7243 # Removing break before 86 # generation 64: best score out of 40: T0187.try1-al10-scwrl 69.9399 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 12 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 738 ## OptSubtree 564 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.989507 -0.0645978 0.108661 -0.0699716 -25.5328 -27.363 32.7484 # Removing break before 41 # jumping subtree containing (T0187)A336 jump= -0.366027 -0.0819833 0.916628 -0.138188 78.0512 43.2499 256.936 # Removing break before 86 # jumping subtree containing (T0187)A334 jump= -0.114329 -0.383032 -0.890103 0.218932 -8.7389 62.6835 233.231 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.99373 0.0450402 0.101708 -0.0113396 24.1132 -6.01329 27.7005 # jumping subtree containing (T0187)I272 jump= 0.666074 -0.00116505 -0.156844 0.729207 38.3011 100.95 -0.786787 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.690727 -0.0139464 -0.701426 -0.175224 63.4952 -22.0407 137.767 # Removing break before 41 # generation 65: best score out of 40: T0187.try1-al10-scwrl 69.9391 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 12 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 752 ## OptSubtree 574 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= 0.304532 0.68291 0.320278 -0.58165 -21.6258 177.677 62.5877 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= -0.946418 0.314067 -0.00436865 0.0750691 -29.3764 -49.2495 81.0799 # jumping subtree containing (T0187)I272 jump= 0.732068 0.0933767 0.168301 -0.653477 -64.2234 63.5703 15.3502 # jumping subtree containing (T0187)K295 jump= 0.654209 0.238373 -0.0622224 -0.715065 26.5227 49.1515 16.8496 # jumping subtree containing (T0187)T350 jump= 0.138928 0.0416855 -0.0596348 0.987626 -53.7787 110.977 20.3815 # jumping subtree containing (T0187)L301 jump= 0.814637 -0.178132 0.230733 0.501396 -25.9594 -17.6538 22.748 # generation 66: best score out of 40: T0187.try1-al10-scwrl 69.9387 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 12 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 775 ## OptSubtree 587 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.252469 -0.536749 -0.2734 -0.75724 -175.482 -50.3043 150.936 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.732474 -0.266061 -0.244326 -0.577061 -66.1912 123.42 2.23302 # jumping subtree containing (T0187)F309 jump= -0.991764 0.044911 0.0368704 -0.114139 11.52 -14.0893 14.7164 # generation 67: best score out of 40: T0187.try1-al10-scwrl 69.9386 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 12 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 789 ## OptSubtree 597 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= -0.114472 0.156715 0.92838 0.316934 -38.9286 -78.7421 238.159 # Removing break before 86 # Removing break before 41 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.971441 -0.0878786 -0.212905 0.0570253 -56.522 26.2088 15.2249 # jumping subtree containing (T0187)R299 jump= -0.965722 -0.131577 0.0996263 -0.200357 26.1421 56.9683 30.516 # jumping subtree containing (T0187)K259 jump= -0.914266 -0.00829415 -0.311711 -0.258623 -92.5773 -7.02921 -1.86545 # Removing break before 94 # jumping subtree containing (T0187)G201 jump= -0.803337 0.23741 0.131579 -0.530069 78.6582 23.1801 57.215 # generation 68: best score out of 40: T0187.try1-al10-scwrl 69.9386 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 13 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 797 ## OptSubtree 612 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.602006 -0.128905 -0.159995 0.771605 -74.8843 114.357 6.27863 # Removing break before 41 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.211601 -0.797691 0.515709 -0.230128 3.56568 121.955 218.408 # jumping subtree containing (T0187)T350 jump= 0.48434 -0.460308 -0.486354 -0.563019 -56.0513 -89.2455 119.662 # Removing break before 41 # generation 69: best score out of 40: T0187.try1-al10-scwrl 69.9384 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 13 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 810 ## OptSubtree 623 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.703009 0.635478 -0.22556 0.225984 -113.283 -129.018 202.917 # jumping subtree containing (T0187)I271 jump= -0.930917 -0.29866 0.205781 0.0430224 57.0506 68.9891 44.9264 # Removing break before 94 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= 0.075091 -0.0753895 -0.968937 0.223248 16.1443 84.2597 362.335 # jumping subtree containing (T0187)I287 jump= 0.132298 -0.760575 -0.555868 0.308276 -24.5292 135.239 218.232 # jumping subtree containing (T0187)L301 jump= 0.276896 -0.692014 -0.646105 -0.164301 -10.5765 -72.778 353.164 # jumping subtree containing (T0187)K263 jump= 0.927951 0.184917 0.22561 -0.231975 -101.867 63.4201 14.3858 # generation 70: best score out of 40: T0187.try1-al10-scwrl 69.9384 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 13 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 818 ## OptSubtree 639 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= 0.951178 -0.22439 0.00350273 0.21189 44.4019 -59.1411 10.1616 # jumping subtree containing (T0187)F309 jump= 0.57357 0.196877 -0.159917 -0.778899 -21.5509 1.96918 -24.134 # jumping subtree containing (T0187)A336 jump= -0.203627 0.908945 -0.363685 0.0093832 0.960823 -47.6632 309.189 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.341829 -0.814542 -0.241797 0.401508 17.5731 139.87 132.958 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.588085 -0.175681 0.453654 -0.646135 54.7287 193.165 103.251 # Removing break before 86 # generation 71: best score out of 40: T0187.try1-al10-scwrl 69.9381 cost/residue, 306 clashes 0.13409 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 13 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 829 ## OptSubtree 652 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= -0.079282 0.931139 -0.354678 0.0299585 -1.28078 59.6224 392.98 # jumping subtree containing (T0187)T350 jump= -0.98727 -0.0497749 -0.0987038 -0.114355 -34.8114 30.1539 20.8279 # jumping subtree containing (T0187)I272 jump= -0.773309 0.599596 -0.175008 -0.108861 -15.5503 -138.949 162.998 # Removing break before 41 # jumping subtree containing (T0187)N242 jump= 0.992802 -0.119209 0.0115734 -2.97592e-05 6.8073 -37.5691 10.0523 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.281161 0.0652822 0.0592461 0.955603 -122.371 -12.8567 6.28243 # jumping subtree containing (T0187)I272 jump= -0.862877 -0.0492774 0.502326 -0.0261307 134.362 -0.0539589 86.8309 # jumping subtree containing (T0187)L217 jump= 0.200326 0.354328 -0.657886 0.633646 -27.8044 249.275 257.234 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.951613 -0.0409099 0.304014 -0.0183178 76.3005 37.9369 44.0875 # generation 72: best score out of 40: T0187.try1-al10-scwrl 69.9381 cost/residue, 306 clashes 0.13409 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 14 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 839 ## OptSubtree 665 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.682444 0.219568 -0.543225 0.436998 -191.629 -10.4499 125.992 # jumping subtree containing (T0187)L214 jump= -0.995563 0.00594646 0.0687114 -0.0640168 25.1191 -19.6776 21.0593 # Removing break before 86 # generation 73: best score out of 40: T0187.try1-al10-scwrl 69.9378 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 14 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 852 ## OptSubtree 676 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.999084 -0.021749 -0.0310566 0.0198336 -14.297 -6.84913 3.87368 # jumping subtree containing (T0187)A336 jump= 0.80663 -0.469199 -0.338244 -0.12162 42.137 -150.495 150.254 # Removing break before 41 # jumping subtree containing (T0187)I272 jump= -0.837786 0.0629564 0.286735 -0.460363 106.18 71.7314 68.7615 # jumping subtree containing (T0187)I272 jump= 0.925791 -0.258363 -0.0303065 0.274302 53.0326 -71.8626 32.9555 # jumping subtree containing (T0187)A336 jump= -0.752601 0.423886 0.309805 0.397409 -8.63366 -162.807 131.669 # jumping subtree containing (T0187)I287 jump= -0.884648 0.372595 0.090024 0.265457 -23.5455 -152.21 111.572 # generation 74: best score out of 40: T0187.try1-al10-scwrl 69.9378 cost/residue, 306 clashes 0.134089 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 15 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 866 ## OptSubtree 685 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= -0.999998 -0.00105669 -8.00208e-05 0.00163019 8.35369 13.6314 14.5716 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.135803 0.0441164 -0.629193 0.764021 -161.512 138.972 141.189 # Removing break before 58 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.624797 0.0387376 -0.679621 0.382417 68.2007 142.793 226.454 # jumping subtree containing (T0187)I272 jump= 0.951625 0.0583976 0.297598 -0.0493519 -93.4423 28.5374 -13.3814 # jumping subtree containing (T0187)N242 jump= 0.71564 0.208123 -0.482098 -0.460571 130.339 -69.3996 97.1488 # generation 75: best score out of 40: T0187.try1-al10-scwrl 69.9377 cost/residue, 306 clashes 0.13409 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 56 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 873 ## OptSubtree 701 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E328 jump= -0.918472 -0.316933 0.195008 -0.133918 44.5061 147.754 68.4727 # jumping subtree containing (T0187)K259 jump= -0.465778 -0.301393 -0.568232 0.607722 -112.206 205.37 111.686 # jumping subtree containing (T0187)E328 jump= 0.869734 0.432448 -0.19237 -0.139807 84.3493 115.37 83.4432 # jumping subtree containing (T0187)S225 jump= -0.214841 -0.441536 -0.41243 0.767327 -61.3928 179.396 62.804 # generation 76: best score out of 40: T0187.try1-al10-scwrl 69.9311 cost/residue, 312 clashes 0.134196 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 57 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 885 ## OptSubtree 712 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.994417 -0.0020217 0.100848 -0.0309828 45.8535 -21.2488 -6.28402 # Removing break before 41 # jumping subtree containing (T0187)L301 jump= -0.277525 -0.902408 0.320561 0.0766865 62.908 33.2248 385.357 # jumping subtree containing (T0187)A336 jump= -0.996394 0.0651648 -0.0270124 -0.0471574 3.51897 -34.3727 -11.7559 # jumping subtree containing (T0187)I272 jump= 0.989252 -0.0400308 0.0391122 -0.135089 -31.6203 -50.6234 -20.3653 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.725734 0.031402 0.115814 0.67743 5.9878 -73.8388 32.8738 # jumping subtree containing (T0187)L301 jump= 0.0829026 0.294016 -0.453056 0.837509 -191.113 118.628 138.798 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= 0.826871 0.155663 0.526542 0.121682 -194.556 13.3706 71.6446 # jumping subtree containing (T0187)L301 jump= 0.36863 0.422678 0.352937 0.748927 -263.295 -3.69784 131.016 # generation 77: best score out of 40: T0187.try1-al10-scwrl 69.8897 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 893 ## OptSubtree 728 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= -0.813437 0.0442625 -0.439194 -0.378774 -150.843 -44.9422 40.4234 # jumping subtree containing (T0187)R299 jump= 0.0891448 -0.447691 0.873416 -0.16962 -130.508 5.05647 365.217 # jumping subtree containing (T0187)I344 jump= -0.94592 0.0298981 0.291204 -0.139794 115.985 6.6416 49.589 # Removing break before 86 # generation 78: best score out of 40: T0187.try1-al10-scwrl 69.8892 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 913 ## OptSubtree 745 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.999708 -0.00473386 -0.00754225 -0.0224761 0.0474043 -0.661623 -12.2001 # jumping subtree containing (T0187)F309 jump= 0.840621 0.448211 -0.106653 -0.284761 77.0276 84.5304 71.4112 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.99353 0.104595 -0.0213869 -0.038735 24.645 29.1721 -4.11655 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.313022 -0.0895849 0.327674 0.886917 1.57767 -113.785 28.9621 # Removing break before 86 # generation 79: best score out of 40: T0187.try1-al10-scwrl 69.8892 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 930 ## OptSubtree 761 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.533417 -0.029014 -0.840717 -0.0884256 127.014 -54.3276 348.335 # jumping subtree containing (T0187)L301 jump= -0.774585 0.123295 -0.566428 0.252933 -251.386 -6.01248 95.5238 # jumping subtree containing (T0187)G339 jump= -0.0994616 -0.193084 0.965684 0.142411 -5.97647 -64.6236 337.855 # jumping subtree containing (T0187)K263 jump= -0.345704 -0.686156 -0.475773 -0.428158 -189.168 49.7612 282.81 # Removing break before 41 # jumping subtree containing (T0187)R299 jump= -0.0665485 -0.0383772 0.993119 -0.0883951 -83.7296 22.4246 422.468 # Removing break before 86 # generation 80: best score out of 40: T0187.try1-al10-scwrl 69.889 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 943 ## OptSubtree 773 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= 0.120379 0.135567 -0.26027 0.948362 -131.661 163.161 44.6232 # jumping subtree containing (T0187)G339 jump= -0.091217 0.990301 -0.10476 -0.00276921 27.8422 53.6836 391.048 # jumping subtree containing (T0187)T350 jump= 0.998584 -0.0153798 -0.0131386 0.0491948 33.8585 -1.86758 11.1307 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= -0.981314 -0.0352853 0.162475 -0.096848 69.8995 27.9885 41.5609 # jumping subtree containing (T0187)D206 jump= -0.0581152 -0.282967 -0.846199 -0.447773 -200.898 -83.8657 328.68 # generation 81: best score out of 40: T0187.try1-al10-scwrl 69.8889 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 956 ## OptSubtree 784 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)F309 jump= 0.93416 -0.0294014 -0.0614609 0.35029 10.9086 42.9814 0.112943 # jumping subtree containing (T0187)T350 jump= 0.671951 -0.570459 -0.449789 0.144045 138.187 -89.5064 244.238 # jumping subtree containing (T0187)I272 jump= 0.101756 -0.133318 -0.6084 -0.775707 -123.645 -149.059 105.764 # jumping subtree containing (T0187)I272 jump= 0.168185 -0.849696 0.44499 -0.22741 -92.5163 12.0104 428.52 # jumping subtree containing (T0187)G201 jump= 0.427684 0.471978 -0.451094 0.62517 -92.0153 216.076 212.905 # jumping subtree containing (T0187)I344 jump= -0.972884 0.16478 -0.0948467 0.131713 -61.6295 -69.7999 30.6907 # jumping subtree containing (T0187)K263 jump= 0.891472 0.401516 -0.20752 -0.0315736 66.4328 136.816 68.5163 # generation 82: best score out of 40: T0187.try1-al10-scwrl 69.8889 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 969 ## OptSubtree 795 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.266307 -0.818198 0.382004 0.337202 149.325 95.9385 283.974 # jumping subtree containing (T0187)R299 jump= 0.122615 -0.656374 -0.733289 0.128164 10.1443 72.405 377.526 # jumping subtree containing (T0187)T350 jump= -0.649871 0.136974 0.0900364 -0.742158 30.1965 46.9741 3.23267 # jumping subtree containing (T0187)L301 jump= -0.9674 -0.141193 -0.16579 -0.129288 -81.7667 80.0654 5.58529 # jumping subtree containing (T0187)G339 jump= 0.432658 -0.206654 0.540335 0.691476 -79.2964 -113.203 41.7232 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.996198 -0.0139826 -0.0532854 -0.0674829 28.1929 -13.969 -1.48217 # jumping subtree containing (T0187)V314 jump= 0.80652 -0.0779995 -0.585669 -0.0208115 192.81 -12.9198 180.578 # Removing break before 86 # jumping subtree containing (T0187)N242 jump= 0.774402 0.589387 0.0252713 -0.228661 23.851 194.836 95.1904 # Removing break before 26 # Removing break before 86 # generation 83: best score out of 40: T0187.try1-al10-scwrl 69.8887 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 977 ## OptSubtree 811 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= 0.751571 -0.422225 0.0616248 -0.503059 -149.208 -126.479 81.0563 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.98166 -0.00101345 -0.128334 0.140974 -55.3981 15.6436 8.30857 # jumping subtree containing (T0187)R299 jump= -0.998179 -0.00813495 0.0264983 -0.0535815 11.9926 13.8229 5.10999 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 86 # Removing break before 26 # jumping subtree containing (T0187)I272 jump= -0.787781 0.411697 -0.457618 -0.0221844 -144.213 -155.65 160.1 # jumping subtree containing (T0187)K263 jump= -0.170693 0.15092 0.958711 -0.170175 24.3759 95.621 418.94 # jumping subtree containing (T0187)I272 jump= -0.872474 0.120373 -0.104287 -0.461978 3.41822 -28.4056 5.52304 # generation 84: best score out of 40: T0187.try1-al10-scwrl 69.8885 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 993 ## OptSubtree 819 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= 0.304076 -0.883785 0.197593 -0.295668 -143.818 -74.6009 380.362 # jumping subtree containing (T0187)A305 jump= 0.931785 0.115461 -0.114844 0.324433 12.8891 79.4496 30.6467 # jumping subtree containing (T0187)I271 jump= -0.971123 0.195076 -0.0802782 0.111452 -31.034 -59.8791 34.7555 # jumping subtree containing (T0187)L301 jump= -0.919555 -0.0289283 0.0213384 0.391315 -23.6738 4.2536 1.91117 # jumping subtree containing (T0187)I271 jump= -0.869739 -0.443994 0.146086 0.158376 57.7261 144.929 101.845 # Removing break before 58 # jumping subtree containing (T0187)R299 jump= 0.999933 -0.00866188 0.00723208 0.00260483 8.0149 -30.4577 4.88041 # generation 85: best score out of 40: T0187.try1-al10-scwrl 69.8885 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1005 ## OptSubtree 831 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.0884622 0.94193 0.147805 -0.288264 101.655 45.3135 363.551 # jumping subtree containing (T0187)A336 jump= -1 -0.0002894 0.000814016 -0.000294869 -0.892963 2.52144 20.0913 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.618846 0.371881 -0.689511 -0.0575206 144.873 59.7824 264.9 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.998946 0.0300365 -0.0328268 0.0112676 -2.20627 5.51006 20.9024 # jumping subtree containing (T0187)T350 jump= -0.367283 -0.0316419 0.00203207 0.929569 -49.1734 19.5131 4.75612 # jumping subtree containing (T0187)I272 jump= -0.894593 -0.191145 0.23229 0.330466 91.1048 15.3922 57.0754 # jumping subtree containing (T0187)T350 jump= -0.997238 -0.0571252 -0.00823355 0.0467453 -15.7805 7.30947 -15.7956 # generation 86: best score out of 40: T0187.try1-al10-scwrl 69.8885 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 16 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1012 ## OptSubtree 848 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)T350 jump= -0.644255 0.0144275 -0.104865 -0.75745 -85.9915 10.9823 26.0165 # jumping subtree containing (T0187)T273 jump= 0.107562 0.569643 0.605165 -0.54563 39.6774 204.441 304.678 # jumping subtree containing (T0187)G311 jump= 0.914361 -0.107905 0.376949 0.101042 -160.738 -67.6219 49.1077 # jumping subtree containing (T0187)G323 jump= -0.724632 -0.517691 0.354046 0.28558 175.23 105.739 151.065 # jumping subtree containing (T0187)T350 jump= -0.40523 0.39325 -0.767495 -0.303471 -159.453 -172.497 300.175 # jumping subtree containing (T0187)A336 jump= 0.309223 0.866064 -0.171369 0.353478 -79.1934 217.437 282.461 # jumping subtree containing (T0187)I272 jump= -0.42276 0.305595 -0.782014 -0.341085 -134.117 -156.444 186.468 # jumping subtree containing (T0187)F309 jump= -0.515645 0.359612 -0.494694 -0.600056 -57.1058 -189.538 107.476 # generation 87: best score out of 40: T0187.try1-al10-scwrl 69.8884 cost/residue, 310 clashes 0.142027 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1026 ## OptSubtree 857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.927337 -0.258438 -0.122933 -0.241128 -70.5088 104.767 26.3518 # jumping subtree containing (T0187)T350 jump= 0.835584 -0.310334 -0.314654 0.326322 105.458 -30.1399 85.4446 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.159691 -0.828225 0.27602 0.460819 97.7043 -135.899 307.449 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.77354 -0.13679 0.240969 0.569963 88.8296 -48.3889 46.6601 # jumping subtree containing (T0187)I271 jump= -0.447149 -0.0478967 -0.469151 0.76004 -161.241 112.257 51.9056 # generation 88: best score out of 40: T0187.try1-al10-scwrl 69.8884 cost/residue, 310 clashes 0.142027 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1037 ## OptSubtree 870 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= 0.383798 0.0695697 -0.897164 -0.207259 102.143 -68.3032 371.824 # jumping subtree containing (T0187)E312 jump= -0.689354 0.538015 0.292908 0.386698 -50.3566 -181.985 186.443 # jumping subtree containing (T0187)A334 jump= 0.965873 -0.190891 -0.096116 -0.146328 -6.30715 -89.0071 28.3375 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.627587 0.470594 0.611382 0.104342 127.663 -126.371 302.226 # jumping subtree containing (T0187)T350 jump= 0.585239 -0.473232 0.474186 -0.456831 -238.504 -70.1433 182.378 # jumping subtree containing (T0187)E328 jump= 0.953939 -0.106897 0.207506 0.188452 -97.5324 -50.942 15.5223 # Removing break before 86 # Removing break before 86 # generation 89: best score out of 40: T0187.try1-al10-scwrl 69.8878 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1045 ## OptSubtree 886 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)Q327 jump= 0.57685 -0.302029 -0.750197 -0.115006 137.638 -81.9919 273.516 # jumping subtree containing (T0187)I272 jump= 0.0558157 0.165995 -0.0698583 -0.982064 24.8799 89.2665 5.28549 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.28194 0.365441 0.373682 -0.804565 -4.54286 154.869 95.2632 # generation 90: best score out of 40: T0187.try1-al10-scwrl 69.8878 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1060 ## OptSubtree 895 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.734957 -0.0548111 0.546914 0.39714 -226.282 -103.171 94.3672 # jumping subtree containing (T0187)G311 jump= 0.953845 -0.117185 -0.0765425 0.265684 43.5208 -16.9042 -0.346125 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.547252 -0.719484 0.196086 -0.380011 -24.2262 242.267 233.216 # generation 91: best score out of 40: T0187.try1-al10-scwrl 69.8878 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1070 ## OptSubtree 909 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.546116 -0.344673 0.158302 -0.746926 -141.836 153.084 113.912 # Removing break before 86 # jumping subtree containing (T0187)E328 jump= -0.892193 -0.366001 0.127751 -0.231764 50.8768 180.954 41.6945 # jumping subtree containing (T0187)T350 jump= -0.915203 0.104736 -0.233254 0.31149 -94.0967 -35.9637 9.80237 # jumping subtree containing (T0187)K295 jump= -0.491104 0.0822772 -0.0189071 0.867001 -128.237 55.3641 29.98 # jumping subtree containing (T0187)T350 jump= -0.55713 0.00225836 0.751074 -0.354245 135.695 135.855 256.578 # jumping subtree containing (T0187)I287 jump= -0.808681 -0.48228 -0.122138 -0.313884 -109.664 215.587 92.9808 # Removing break before 86 # Removing break before 94 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.843842 -0.439248 -0.0660384 0.301049 -16.9822 200.61 62.266 # jumping subtree containing (T0187)I272 jump= -0.999746 -0.00634266 -0.00444294 -0.0211875 -11.9386 9.97551 -8.69365 # jumping subtree containing (T0187)I272 jump= 0.274538 0.4588 0.285409 -0.795407 19.7262 271.702 100.646 # jumping subtree containing (T0187)A336 jump= -0.941677 0.0143069 0.0897067 0.324026 -10.8843 -6.66496 -2.43633 # jumping subtree containing (T0187)I272 jump= -0.343474 0.791885 0.408322 -0.297015 121.677 -38.8137 319.9 # generation 92: best score out of 40: T0187.try1-al10-scwrl 69.8878 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1080 ## OptSubtree 923 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V314 jump= -0.972596 0.117181 0.0307661 -0.198442 35.956 -41.7924 30.0166 # jumping subtree containing (T0187)I272 jump= -0.901797 0.273599 -0.179721 0.282144 -125.712 -111.305 86.9788 # Removing break before 26 # jumping subtree containing (T0187)A336 jump= 0.297374 0.417669 0.602067 -0.612075 -18.1151 221.162 214.521 # jumping subtree containing (T0187)K295 jump= 0.747891 -0.391779 0.106911 -0.525107 -166.626 -150.495 91.5667 # jumping subtree containing (T0187)G311 jump= -0.326732 0.751298 -0.503018 0.275264 -156.834 -40.6638 367.352 # jumping subtree containing (T0187)K295 jump= 0.629377 -0.577347 0.360729 -0.374739 -214.562 -144.534 201.833 # jumping subtree containing (T0187)A336 jump= -0.975844 -0.0623797 0.143819 -0.152165 100.801 38.2911 -1.07595 # jumping subtree containing (T0187)V314 jump= -0.819607 -0.180235 0.543827 -0.00338767 177.613 41.4278 159.065 # jumping subtree containing (T0187)I344 jump= -0.847902 0.424612 -0.0809047 0.306954 -63.2083 -156.036 52.8659 # jumping subtree containing (T0187)T350 jump= -0.985348 -0.14275 -0.0919885 -0.0158276 -54.8279 46.8301 -7.74968 # Removing break before 86 # generation 93: best score out of 40: T0187.try1-al10-scwrl 69.8878 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1090 ## OptSubtree 937 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.999445 -0.0131492 -0.016887 0.0255199 8.41041 -0.508113 5.40252 # jumping subtree containing (T0187)I272 jump= -0.701252 -0.456681 0.516248 0.182144 213.233 90.464 195.608 # jumping subtree containing (T0187)T350 jump= 0.707284 0.170744 0.501322 0.468265 -203.006 -4.13829 87.7186 # generation 94: best score out of 40: T0187.try1-al10-scwrl 69.8878 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 17 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1097 ## OptSubtree 954 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 26 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= 0.744668 -0.339508 -0.0951707 0.566698 136.904 -20.9742 87.6063 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= 0.0125238 0.440125 0.879375 0.181199 -116.204 -28.2214 392.099 # jumping subtree containing (T0187)N242 jump= 0.519602 0.489333 0.674816 -0.187593 -130.082 160.807 266.172 # jumping subtree containing (T0187)K215 jump= -0.792877 -0.0434314 -0.60652 0.0399263 -245.073 39.0892 136.93 # jumping subtree containing (T0187)F309 jump= -0.85367 -0.483739 0.151075 -0.120085 61.5163 194.514 68.0213 # jumping subtree containing (T0187)G311 jump= -0.466143 0.368945 -0.77581 -0.211445 -157.619 -181.918 310.917 # jumping subtree containing (T0187)I272 jump= 0.80479 0.30852 0.432345 0.264965 -226.698 102.879 82.9764 # jumping subtree containing (T0187)F309 jump= 0.996546 -0.0459045 0.0479474 0.0498945 -40.2175 -23.3757 0.636223 # jumping subtree containing (T0187)T350 jump= 0.565275 0.0997738 -0.818769 0.0112426 158.794 37.9122 387.336 # generation 95: best score out of 40: T0187.try1-al10-scwrl 69.8876 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 18 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1106 ## OptSubtree 968 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A336 jump= -0.800995 0.0533049 -0.577349 -0.149108 -243.118 -61.3442 115.956 # jumping subtree containing (T0187)A336 jump= -0.364129 -0.752886 -0.0865887 -0.541365 -179.859 110.572 239.763 # jumping subtree containing (T0187)I271 jump= 0.769206 0.0607753 0.517051 0.370521 -186.42 -20.8173 47.4201 # jumping subtree containing (T0187)I344 jump= -0.247206 -0.0892527 -0.433757 -0.861846 -172.867 -121.826 62.8041 # jumping subtree containing (T0187)G201 jump= 0.977871 0.0199273 -0.0213426 0.207161 44.2285 39.6727 -15.7713 # jumping subtree containing (T0187)K263 jump= 0.0979466 -0.686977 0.687844 -0.212931 -67.6111 39.7726 475.052 # generation 96: best score out of 40: T0187.try1-al10-scwrl 69.8876 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 18 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1118 ## OptSubtree 980 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.90962 0.334848 -0.11718 0.21619 -96.1671 -172.616 47.9414 # jumping subtree containing (T0187)K263 jump= 0.87122 0.32946 0.219763 0.290062 -118.433 120.833 29.4909 # Removing break before 86 # jumping subtree containing (T0187)I344 jump= 0.531566 -0.838375 0.0271619 0.11759 23.3138 -137.196 378.248 # Removing break before 86 # jumping subtree containing (T0187)I344 jump= -0.248634 0.572475 -0.757059 -0.19317 -18.8356 -111.083 398.131 # Removing break before 26 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.448337 0.618558 0.0448076 0.643718 -285.095 -68.3076 260.188 # generation 97: best score out of 40: T0187.try1-al10-scwrl 69.8876 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 19 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1125 ## OptSubtree 996 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= -0.00160673 -0.200864 0.963043 -0.179442 -50.6509 74.0688 443.666 # jumping subtree containing (T0187)K263 jump= 0.712021 0.425971 -0.181404 0.527889 -29.0961 280.136 91.2053 # jumping subtree containing (T0187)K263 jump= 0.575646 0.805798 0.116908 -0.0751951 -42.0976 296.789 231.244 # jumping subtree containing (T0187)I344 jump= -0.410142 -0.423855 -0.264728 -0.762922 -256.805 37.37 135.731 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.295012 0.295816 0.819798 -0.391653 95.4263 147.862 431.771 # jumping subtree containing (T0187)I344 jump= -0.838691 0.330602 -0.01465 0.432534 -128.109 -103.435 59.2776 # Removing break before 86 # jumping subtree containing (T0187)C346 jump= 0.145259 0.959175 0.24184 0.019892 -66.6031 159.687 441.003 # jumping subtree containing (T0187)I272 jump= -0.288531 -0.712701 0.624297 -0.138057 67.3833 200.254 416.753 # jumping subtree containing (T0187)K259 jump= -0.38421 0.256843 0.582023 0.669077 -81.3002 -155.661 166.357 # generation 98: best score out of 40: T0187.try1-al10-scwrl 69.8876 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 21 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1132 ## OptSubtree 1011 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.779118 0.204084 0.55225 -0.215276 207.52 -17.5108 216.094 # jumping subtree containing (T0187)F309 jump= 0.886021 -0.212739 0.35896 0.202132 -72.9585 -90.962 62.0933 # jumping subtree containing (T0187)F309 jump= -0.104035 -0.135703 0.163877 0.971548 8.78393 79.6955 -11.833 # jumping subtree containing (T0187)L301 jump= -0.484928 0.36054 0.768338 0.210978 81.8257 -133.838 401.415 # Removing break before 86 # generation 99: best score out of 40: T0187.try1-al10-scwrl 69.8876 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 22 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1143 ## OptSubtree 1023 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A203 jump= -0.563155 0.744904 0.350401 0.0720694 3.94012 -100.847 344.374 # jumping subtree containing (T0187)S227 jump= -0.493048 -0.188492 -0.754654 0.389707 -195.058 186.959 269.489 # jumping subtree containing (T0187)F309 jump= -0.760676 -0.139417 -0.145758 -0.617 -32.4135 79.5088 -24.2037 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= 0.474189 0.281949 0.477713 0.683695 -298.339 -23.369 135.915 # jumping subtree containing (T0187)S227 jump= 0.643456 0.753596 0.133484 0.0154634 -39.1001 290.789 180.54 # jumping subtree containing (T0187)N242 jump= -0.221071 0.468383 -0.786973 0.335287 -223.915 31.7981 364.805 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.885555 0.140899 0.268352 0.352032 23.5406 -114.285 42.6176 # generation 100: best score out of 40: T0187.try1-al10-scwrl 69.8876 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 22 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1158 ## OptSubtree 1032 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)N242 jump= -0.364383 -0.348349 0.862672 0.040925 61.7263 33.0399 434.146 # jumping subtree containing (T0187)G339 jump= 0.357279 -0.398173 0.836165 0.12099 -214.299 -149.479 370.604 # jumping subtree containing (T0187)L301 jump= -0.132851 0.708762 0.414799 -0.554932 156.698 108.493 311.116 # jumping subtree containing (T0187)I272 jump= 0.998277 0.00527025 -0.0569454 -0.0131236 29.4333 7.57626 -5.80504 # Removing break before 86 # jumping subtree containing (T0187)F309 jump= 0.347525 0.149007 0.925199 0.0321112 -250.304 11.8202 404.673 # jumping subtree containing (T0187)K263 jump= 0.998781 0.0377084 0.00422749 -0.0315845 0.336352 12.4019 26.5938 # jumping subtree containing (T0187)T350 jump= -0.977525 -0.115329 -0.106924 0.140394 -50.2567 47.2547 -33.4013 # jumping subtree containing (T0187)I287 jump= 0.41794 -0.273458 -0.476587 -0.723472 -60.3652 -196.486 130.376 # jumping subtree containing (T0187)G311 jump= 0.968266 0.224507 -0.104096 0.034949 29.5756 93.7632 47.934 # jumping subtree containing (T0187)L301 jump= 0.959411 -0.0823341 0.0573947 -0.263549 -68.253 -53.0691 -17.1708 # generation 101: best score out of 40: T0187.try1-al10-scwrl 69.8874 cost/residue, 310 clashes 0.142026 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 58 ## TwoFragment 18 ## CrossOver 23 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1166 ## OptSubtree 1047 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.837678 -0.168271 -0.463981 0.233884 164.987 -8.45036 135.821 # jumping subtree containing (T0187)S227 jump= 0.994153 -0.0928133 -0.0187639 -0.0518934 -2.42836 -44.0111 -6.61019 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.973402 -0.185304 0.123174 0.0545882 -81.483 -76.302 12.793 # Removing break before 26 # jumping subtree containing (T0187)G311 jump= -0.999176 0.0210675 0.0294116 -0.018377 23.5769 -24.4575 3.61446 # Removing break before 41 # jumping subtree containing (T0187)T350 jump= 0.436034 0.179506 -0.748282 0.466611 19.3268 212.171 331.795 # jumping subtree containing (T0187)S241 jump= -0.91237 -0.0675706 0.143026 -0.377571 18.2434 77.478 41.9209 # jumping subtree containing (T0187)I272 jump= 0.9458 0.270682 -0.151548 -0.0960582 94.5 101.996 58.9002 # jumping subtree containing (T0187)F309 jump= -0.257094 -0.331489 -0.312748 -0.852177 -257.628 -51.186 116.287 # generation 102: best score out of 40: T0187.try1-al10-scwrl 69.7918 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 23 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1175 ## OptSubtree 1061 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.312336 0.551635 -0.756875 -0.159013 -160.519 -167.002 377.905 # jumping subtree containing (T0187)I272 jump= 0.829655 -0.28257 -0.0375582 -0.480018 -109.093 -108.841 103.104 # jumping subtree containing (T0187)I272 jump= -0.746607 -0.0695098 -0.592006 -0.295422 -224.493 -12.4255 90.1815 # jumping subtree containing (T0187)G221 jump= -0.399316 0.272077 0.468052 -0.739898 151.334 218.957 162.664 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.398836 -0.897776 -0.100666 -0.157459 -88.3142 174.06 421.422 # Removing break before 41 # generation 103: best score out of 40: T0187.try1-al10-scwrl 69.7918 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1186 ## OptSubtree 1073 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.0937493 0.013437 -0.110772 -0.989323 -44.2872 35.2142 -16.6643 # jumping subtree containing (T0187)T350 jump= 0.751414 -0.578068 -0.219772 -0.23003 13.2175 -215.981 191.154 # Removing break before 41 # jumping subtree containing (T0187)N242 jump= -0.8272 -0.443763 0.0735175 -0.336764 -8.30119 233.41 69.0679 # Removing break before 15 # jumping subtree containing (T0187)G221 jump= 0.996539 0.0069028 0.0381195 -0.0735472 -48.3215 -10.5195 -10.4763 # Removing break before 41 # jumping subtree containing (T0187)T350 jump= -0.854195 0.418207 0.295214 -0.0911132 126.333 -122.929 193.754 # jumping subtree containing (T0187)T350 jump= 0.932647 0.233036 -0.262855 -0.0822876 85.2632 90.9351 33.6427 # jumping subtree containing (T0187)I272 jump= -0.233184 -0.0870073 -0.101993 0.963147 -68.2399 175.506 -0.11875 # jumping subtree containing (T0187)K263 jump= -0.148848 0.713131 0.469828 -0.498547 111.681 161.145 355.19 # jumping subtree containing (T0187)K295 jump= -0.999953 0.0049583 -0.00132974 0.00827626 -7.32966 16.7217 16.2233 # generation 104: best score out of 40: T0187.try1-al10-scwrl 69.7918 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1205 ## OptSubtree 1088 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= 0.590255 -0.719107 -0.0384719 -0.364696 -128.838 -114.947 305.488 # Removing break before 86 # jumping subtree containing (T0187)N242 jump= 0.990047 -0.0197393 0.137967 0.0195382 -47.1992 -13.8044 -12.7615 # jumping subtree containing (T0187)I272 jump= -0.481016 -0.679747 0.546531 -0.0887197 123.311 172.734 317.93 # jumping subtree containing (T0187)I272 jump= 0.844959 0.285418 -0.451652 -0.0243047 208.581 93.5138 148.906 # jumping subtree containing (T0187)I272 jump= -0.95369 -0.0516297 -0.261777 0.138865 -105.703 41.1737 16.4823 # jumping subtree containing (T0187)I272 jump= -0.955702 -0.0138309 0.251107 -0.152933 89.7425 49.5562 39.8995 # jumping subtree containing (T0187)I272 jump= 0.978782 -0.200792 0.00425294 -0.0406308 -3.67878 -90.977 17.1747 # jumping subtree containing (T0187)L301 jump= 0.848199 0.0654269 -0.482787 -0.207834 162.461 -10.6934 82.0658 # Removing break before 86 # generation 105: best score out of 40: T0187.try1-al10-scwrl 69.7918 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1217 ## OptSubtree 1100 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)E328 jump= 0.95231 -0.205293 -0.154157 0.164909 100.278 -37.3634 85.2936 # jumping subtree containing (T0187)A336 jump= 0.421967 -0.207176 0.671215 -0.573143 -227.038 168.698 278.313 # Removing break before 15 # jumping subtree containing (T0187)I344 jump= 0.903744 -0.137935 0.0321479 0.403964 47.6009 -6.30792 37.1019 # jumping subtree containing (T0187)G201 jump= -0.710856 -0.363937 -0.526778 -0.291097 -225.523 106.9 148.224 # jumping subtree containing (T0187)A334 jump= -0.993805 -0.110893 -0.00358166 0.00641791 -23.079 62.6335 -17.206 # generation 106: best score out of 40: T0187.try1-al10-scwrl 69.7918 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1227 ## OptSubtree 1114 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)R281 jump= -0.331555 -0.585947 -0.30968 -0.671443 -270.146 131.188 185.36 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.493351 -0.0603962 0.440057 0.747868 48.132 -109.306 90.7953 # Removing break before 15 # generation 107: best score out of 40: T0187.try1-al10-scwrl 69.7918 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1241 ## OptSubtree 1124 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 15 # Removing break before 41 # jumping subtree containing (T0187)I272 jump= 0.103662 0.573393 -0.00324241 -0.81269 207.828 128.606 158.068 # jumping subtree containing (T0187)G339 jump= 0.53706 0.31584 0.327406 0.710364 -168.241 61.1901 64.9476 # Removing break before 86 # generation 108: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1255 ## OptSubtree 1134 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A306 jump= -0.673306 0.733028 -0.0964907 -0.00428579 -26.987 -213.845 304.332 # jumping subtree containing (T0187)K259 jump= -0.16183 -0.949587 -0.248006 -0.102905 -98.4199 137.758 482.57 # jumping subtree containing (T0187)K259 jump= -0.141322 0.365618 -0.756857 -0.52299 38.1513 -210.546 289.602 # jumping subtree containing (T0187)K295 jump= 0.853908 0.513768 -0.0595812 0.0577379 42.6049 237.183 109.4 # jumping subtree containing (T0187)I272 jump= -0.033785 0.260709 0.225294 -0.938154 86.3472 190.348 52.1519 # jumping subtree containing (T0187)G201 jump= 0.817426 -0.172708 0.238334 -0.495159 -223.65 -33.4434 76.7594 # jumping subtree containing (T0187)L301 jump= -0.32645 0.730312 -0.600029 -0.00639403 -52.1894 -79.2626 507.081 # jumping subtree containing (T0187)I272 jump= -0.410402 0.23326 0.449439 0.758397 -100.246 -183.068 129.004 # jumping subtree containing (T0187)K295 jump= -0.120418 0.912267 -0.0803474 0.383161 -151.575 34.0529 404.533 # Removing break before 86 # Removing break before 86 # generation 109: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1267 ## OptSubtree 1146 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 15 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.543795 0.0355157 0.821881 -0.165943 146.121 61.2365 346.874 # jumping subtree containing (T0187)G323 jump= -0.747074 -0.198961 0.611623 -0.167966 189.572 144.742 247.56 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.317213 0.567007 0.727665 -0.21996 -138.465 217.533 407.847 # jumping subtree containing (T0187)G221 jump= -0.999027 -0.0132178 0.0337347 -0.0251548 15.9624 16.9688 -10.9367 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.67629 0.538362 0.431701 0.257745 29.4362 -201.407 321.491 # jumping subtree containing (T0187)S207 jump= 0.435427 -0.257316 0.775684 -0.377501 -232.497 95.9373 319.351 # jumping subtree containing (T0187)P300 jump= 0.831965 0.26023 -0.257827 0.4167 80.1177 194.325 59.4758 # generation 110: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1275 ## OptSubtree 1162 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V317 jump= 0.80504 0.347638 0.473107 0.0850119 -195.168 134.827 113.356 # jumping subtree containing (T0187)G221 jump= -0.99374 0.0314145 0.0409912 0.0990592 2.95615 -19.9431 -14.2499 # jumping subtree containing (T0187)T350 jump= 0.628828 -0.42831 0.21081 0.613746 60.4233 -153.434 113.101 # Removing break before 86 # Removing break before 15 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.615804 -0.0647968 0.654293 -0.434152 183.218 207.865 254.54 # jumping subtree containing (T0187)G221 jump= 0.988199 -0.0701436 0.130118 -0.0401442 -67.7664 -19.4821 7.71157 # jumping subtree containing (T0187)T350 jump= 0.841896 -0.289054 -0.148507 -0.430818 -43.438 -160.134 82.444 # generation 111: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1281 ## OptSubtree 1180 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G221 jump= -0.461741 -0.835928 -0.0905047 0.28254 56.5911 268.538 328.572 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= -0.786706 -0.247836 -0.511454 0.241009 -253.607 172.989 115.985 # jumping subtree containing (T0187)N242 jump= -0.927079 0.246674 -0.252555 0.126062 -130.6 -117.91 88.9524 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.555675 -0.0848265 0.759888 -0.326496 -322.003 93.2566 303.726 # jumping subtree containing (T0187)I272 jump= -0.361911 0.431916 0.501446 -0.656522 180.377 189.163 235.934 # jumping subtree containing (T0187)T350 jump= 0.710531 -0.161789 -0.665136 0.162983 198.429 26.7531 330.025 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.691957 0.541106 -0.255033 -0.404174 139.241 157.961 100.634 # Removing break before 86 # jumping subtree containing (T0187)V216 jump= 0.987865 -0.049364 0.124205 0.0791116 -61.6954 -15.4978 -15.5666 # Removing break before 86 # generation 112: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1285 ## OptSubtree 1200 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.721572 0.441964 -0.491699 -0.205508 -135.33 -205.281 242.578 # jumping subtree containing (T0187)G221 jump= 0.991022 0.0910428 -0.0220413 0.0954003 7.12059 46.5971 3.73659 # jumping subtree containing (T0187)P304 jump= -0.811363 -0.203683 0.0383869 -0.546562 -1.10646 136.947 4.26643 # jumping subtree containing (T0187)I344 jump= -0.25295 -0.635734 0.30627 -0.661859 -147.356 258.331 245.098 # jumping subtree containing (T0187)I272 jump= 0.0142681 0.0151929 0.978175 -0.206734 -61.6071 84.7229 485.516 # jumping subtree containing (T0187)G221 jump= 0.0467189 -0.203032 0.407667 -0.889046 -196.355 267.086 156.173 # Removing break before 41 # jumping subtree containing (T0187)E235 jump= -0.990768 0.129225 -0.0404578 -0.00650393 -28.6749 -78.4818 33.3999 # Removing break before 86 # Removing break before 86 # generation 113: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1296 ## OptSubtree 1213 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.420624 0.430196 0.581153 -0.547967 160.7 157.489 333.201 # jumping subtree containing (T0187)Q327 jump= -0.701829 0.198761 -0.628133 -0.270885 -224.397 -147.878 153.885 # Removing break before 26 # jumping subtree containing (T0187)G221 jump= 0.995759 -0.0507752 0.0184912 0.0744595 -29.3101 -10.1979 4.30641 # jumping subtree containing (T0187)G339 jump= 0.968792 0.152816 0.175385 0.0856109 -92.3143 97.201 15.347 # jumping subtree containing (T0187)A336 jump= -0.619071 0.482053 -0.600544 -0.154021 -95.3354 -173.67 277.238 # Removing break before 15 # jumping subtree containing (T0187)N242 jump= -0.953071 0.0960021 -0.160253 0.238241 -123.453 -56.0347 24.9112 # generation 114: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1307 ## OptSubtree 1226 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)G221 jump= -0.999981 0.00456542 0.00341016 0.00215206 14.0858 11.7832 -6.02852 # jumping subtree containing (T0187)T273 jump= 0.994952 0.0665497 -0.06761 -0.032733 56.9806 16.1294 0.991818 # jumping subtree containing (T0187)I272 jump= -0.467469 -0.27714 -0.173205 -0.821381 -171.732 99.5456 18.4394 # jumping subtree containing (T0187)G221 jump= -0.230253 -0.0475504 -0.56568 0.790398 -141.94 281.343 216.677 # jumping subtree containing (T0187)G221 jump= 0.888161 -0.00663091 0.350159 0.297515 -163.262 -41.9573 16.7516 # jumping subtree containing (T0187)G221 jump= 0.567301 -0.499683 0.387926 -0.527256 -305.253 -23.3903 281.177 # jumping subtree containing (T0187)G339 jump= -0.406023 -0.548693 0.513054 0.520439 212.822 24.9633 193.602 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.992335 0.0553525 0.0243196 -0.107773 16.1332 -6.24215 -15.6419 # Removing break before 26 # generation 115: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1322 ## OptSubtree 1235 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # jumping subtree containing (T0187)K263 jump= -0.0852895 0.694913 -0.665328 0.259152 -123.84 98.7331 505.667 # jumping subtree containing (T0187)G221 jump= -0.969886 0.22168 -0.0612534 -0.0801689 -13.544 -109.18 26.4286 # Removing break before 26 # jumping subtree containing (T0187)N242 jump= 0.952929 0.0513434 -0.198766 -0.22312 67.3325 -9.36821 5.27057 # jumping subtree containing (T0187)T350 jump= -0.283439 0.129117 -0.72717 0.611731 -167.661 222.683 300.382 # jumping subtree containing (T0187)I272 jump= -0.323039 -0.151929 -0.527571 0.770865 -112.054 262.717 189.368 # jumping subtree containing (T0187)I272 jump= 0.634796 0.0406403 -0.0201255 0.771348 -4.31867 104.938 -25.1697 # jumping subtree containing (T0187)R299 jump= -0.998612 0.0112637 0.00787324 0.0508388 -17.1955 3.17631 2.99899 # jumping subtree containing (T0187)H316 jump= 0.6033 -0.0882042 -0.791086 0.049321 170.124 15.5049 306.639 # jumping subtree containing (T0187)G221 jump= -0.379744 -0.749129 0.103434 0.532825 223.609 176.086 253.854 # Removing break before 26 # jumping subtree containing (T0187)K263 jump= 0.869204 -0.0554828 0.0085422 0.491257 13.3305 -8.24067 -9.26237 # generation 116: best score out of 40: T0187.try1-al10-scwrl 69.7913 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 24 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1333 ## OptSubtree 1248 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.92021 0.333302 0.177112 -0.103709 -80.9156 182.455 22.6857 # jumping subtree containing (T0187)G221 jump= 0.998239 0.0410346 0.0246719 -0.0350248 -6.64958 44.2525 -12.8451 # jumping subtree containing (T0187)D206 jump= -0.242271 0.135191 -0.447486 -0.850167 -76.5449 -124.567 82.2317 # jumping subtree containing (T0187)I272 jump= -0.187276 -0.649851 0.140996 -0.723009 -240.353 180.773 235.796 # generation 117: best score out of 40: T0187.try1-al10-scwrl 69.791 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1343 ## OptSubtree 1261 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.0963084 0.564258 -0.787624 0.228005 -101.441 92.5532 505.108 # jumping subtree containing (T0187)L301 jump= -0.354885 0.553722 0.706851 0.260402 -0.490319 -188.205 477.027 # Removing break before 86 # jumping subtree containing (T0187)E264 jump= -0.966309 -0.119939 0.126231 0.189547 42.5155 35.7377 30.7576 # jumping subtree containing (T0187)A336 jump= 0.87555 0.439347 -0.0192268 -0.20004 49.527 176.896 48.0159 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= -0.940143 -0.0379656 0.133486 0.311242 41.8233 -33.3303 18.3554 # jumping subtree containing (T0187)V216 jump= -0.981612 -0.00042488 0.0335493 -0.187914 7.29337 25.7396 2.04414 # generation 118: best score out of 40: T0187.try1-al10-scwrl 69.7908 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1354 ## OptSubtree 1274 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= 0.511603 0.464092 -0.614775 -0.380701 226.719 -7.59258 295.032 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.738268 -0.0587397 0.663641 -0.105311 -273.485 15.8303 215.838 # jumping subtree containing (T0187)G323 jump= 0.767444 0.232396 0.559719 -0.209133 -235.108 199.209 190.555 # jumping subtree containing (T0187)G221 jump= -0.877186 0.451815 0.0891504 -0.135871 65.3869 -157.335 140.73 # Removing break before 86 # jumping subtree containing (T0187)T350 jump= 0.699471 -0.557042 0.447299 -0.0191815 -171.524 -195.708 297.364 # jumping subtree containing (T0187)T350 jump= 0.660977 0.351524 0.330727 0.574596 -213.976 119.186 64.0276 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.346112 0.102272 -0.747436 0.557751 75.5838 281.239 376.597 # generation 119: best score out of 40: T0187.try1-al10-scwrl 69.7908 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1363 ## OptSubtree 1289 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.978716 0.0432764 -0.09774 -0.175181 -55.753 -17.1179 15.6546 # jumping subtree containing (T0187)I272 jump= -0.757117 -0.403186 0.207784 -0.47015 -6.26667 269.403 112.732 # jumping subtree containing (T0187)I272 jump= -0.754821 -0.276444 -0.199339 -0.560436 -208.9 111.634 82.6642 # jumping subtree containing (T0187)G221 jump= -0.640775 0.47788 0.600591 0.0181291 176.826 -117.932 358.54 # jumping subtree containing (T0187)H246 jump= 0.986741 -0.0498491 -0.153418 0.0179193 93.7871 -8.80462 13.0923 # jumping subtree containing (T0187)G221 jump= -0.977612 -0.16549 0.0249669 -0.127532 -3.58669 77.1052 1.94478 # jumping subtree containing (T0187)E264 jump= -0.775812 -0.283489 0.124104 -0.549862 9.4435 233.808 31.1524 # jumping subtree containing (T0187)I272 jump= 0.122362 -0.180534 -0.972757 -0.0786084 32.9065 -47.7491 520.774 # jumping subtree containing (T0187)G221 jump= 0.567021 -0.773767 0.154795 0.236241 62.6702 -203.753 333.078 # Removing break before 15 # jumping subtree containing (T0187)I272 jump= -0.999234 -0.00742849 -0.031195 0.0224147 -16.0021 -7.11398 -11.0879 # Removing break before 94 # generation 120: best score out of 40: T0187.try1-al10-scwrl 69.7908 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1369 ## OptSubtree 1307 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= 0.684731 0.210657 -0.211774 -0.66477 105.193 -9.13979 28.6423 # Removing break before 86 # Removing break before 94 # jumping subtree containing (T0187)E235 jump= -0.504825 0.347486 -0.762112 0.208783 -288.416 -0.433013 389.928 # jumping subtree containing (T0187)I272 jump= -0.49228 -0.797165 -0.0613999 0.344119 92.6581 227.544 294.43 # jumping subtree containing (T0187)G323 jump= 0.978254 -0.098647 0.104851 0.149311 -9.53849 -33.3146 -10.6533 # generation 121: best score out of 40: T0187.try1-al10-scwrl 69.7908 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1379 ## OptSubtree 1321 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G221 jump= -0.732386 -0.479027 0.483252 -0.0247167 197.859 187.752 239.841 # jumping subtree containing (T0187)K295 jump= -0.785131 0.224367 0.353075 0.456692 50.3072 -178.353 82.0316 # Removing break before 86 # jumping subtree containing (T0187)A336 jump= -0.645164 0.367401 -0.171919 -0.647475 87.9138 -142.695 81.0453 # jumping subtree containing (T0187)K295 jump= -0.36523 -0.303479 -0.797771 0.371577 -149.659 246.925 365.426 # jumping subtree containing (T0187)I272 jump= 0.713475 0.00726379 -0.361199 0.600363 130.67 127.815 83.5933 # jumping subtree containing (T0187)I272 jump= 0.978538 -0.0807356 0.0451261 -0.184144 -44.3037 -20.9583 7.08606 # Removing break before 15 # jumping subtree containing (T0187)I272 jump= -0.96013 -0.0653796 0.264613 0.0620985 109.301 40.2323 41.8863 # jumping subtree containing (T0187)I272 jump= 0.910129 0.0700146 -0.26123 0.313882 99.7622 96.8365 45.4473 # Removing break before 15 # generation 122: best score out of 40: T0187.try1-al10-scwrl 69.7903 cost/residue, 315 clashes 0.151852 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1386 ## OptSubtree 1338 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= 0.648396 0.093923 0.217869 -0.723391 -95.1174 139.437 23.5557 # jumping subtree containing (T0187)G323 jump= -0.911939 0.0349648 -0.226769 0.340178 -141.563 10.2632 50.1686 # jumping subtree containing (T0187)I287 jump= -0.423024 0.150461 -0.345738 -0.82394 -47.9457 -125.234 28.0904 # jumping subtree containing (T0187)I287 jump= -0.977076 -0.209765 0.0305537 -0.019665 5.96847 102.367 35.0829 # jumping subtree containing (T0187)I272 jump= -0.498732 -0.300119 0.710516 -0.395426 106.439 230.234 346.662 # Removing break before 15 # jumping subtree containing (T0187)A336 jump= -0.282632 -0.50505 0.0534461 0.813749 155.502 46.0347 127.643 # jumping subtree containing (T0187)K263 jump= -0.991188 0.0615784 0.114623 0.0248163 63.3268 -29.3102 -8.59579 # generation 123: best score out of 40: T0187.try1-al10-scwrl 69.7902 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1396 ## OptSubtree 1352 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.719475 0.350732 -0.518789 0.300333 148.742 221.584 266.237 # jumping subtree containing (T0187)I272 jump= -0.592745 0.258753 0.666711 -0.370401 224.37 74.3855 286.252 # jumping subtree containing (T0187)K263 jump= -0.0780345 0.570609 -0.547248 0.607318 -223.026 188.684 387.312 # jumping subtree containing (T0187)T350 jump= -0.973217 -0.1229 0.0166205 -0.193565 1.37214 85.1394 27.7805 # jumping subtree containing (T0187)I272 jump= -0.697583 0.00651614 -0.557467 0.450074 -239.776 134.302 143.957 # jumping subtree containing (T0187)N242 jump= -0.719962 0.387019 0.532101 0.220771 92.9459 -188.898 258.361 # jumping subtree containing (T0187)G201 jump= -0.847363 0.00380693 -0.123982 0.516324 -103.959 -7.27725 -1.99251 # jumping subtree containing (T0187)G221 jump= -0.32657 0.766509 -0.458668 -0.308932 66.9158 -177.142 400.87 # jumping subtree containing (T0187)I272 jump= 0.956923 -0.155747 0.135328 0.204273 -43.0806 -76.6377 17.8762 # jumping subtree containing (T0187)I287 jump= -0.476352 -0.553107 -0.335592 -0.595432 -301.463 130.278 203.87 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.984121 -0.0163458 0.155249 -0.0844731 -73.6082 4.93235 27.2002 # generation 124: best score out of 40: T0187.try1-al10-scwrl 69.7902 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1405 ## OptSubtree 1367 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.999193 -0.0356481 -0.0180993 0.00392251 -8.04938 46.0696 -10.8418 # jumping subtree containing (T0187)G221 jump= 0.476879 0.482836 -0.234139 0.696157 -146.519 228.395 201.435 # jumping subtree containing (T0187)R299 jump= 0.784804 0.0590778 -0.479229 0.3885 149.181 147.727 160.078 # Removing break before 15 # jumping subtree containing (T0187)K263 jump= 0.942926 0.168663 0.277423 -0.0740242 -165.112 88.837 31.4897 # jumping subtree containing (T0187)G201 jump= 0.298571 0.0273681 0.934743 -0.190689 -199.88 121.192 491.104 # jumping subtree containing (T0187)D298 jump= -0.978161 0.180635 -0.101831 0.0142539 -50.1783 -89.7452 13.6608 # generation 125: best score out of 40: T0187.try1-al10-scwrl 69.7902 cost/residue, 315 clashes 0.151853 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 59 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1415 ## OptSubtree 1381 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= 0.644435 -0.220672 0.116896 0.722733 38.2997 -76.4472 42.7803 # jumping subtree containing (T0187)G221 jump= -0.997429 0.0569092 0.0310475 0.0305293 3.80717 -56.77 18.2965 # jumping subtree containing (T0187)I272 jump= 0.867784 0.312929 0.139148 0.360089 -110.452 130.199 43.0289 # Removing break before 15 # jumping subtree containing (T0187)H246 jump= 0.384353 -0.867819 0.296504 -0.106055 -89.6203 -125.062 446.676 # jumping subtree containing (T0187)G221 jump= -0.346274 -0.00542647 0.91155 -0.221677 168.009 133.661 466.201 # jumping subtree containing (T0187)I272 jump= -0.745493 -0.602918 0.241415 0.149829 159.931 230.19 179.77 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.998607 -0.0107977 -0.0423187 0.0295962 -15.2689 8.46093 -22.1262 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= -0.799457 -0.30749 -0.424026 0.294143 -169.809 208.722 101.763 # generation 126: best score out of 40: T0187.try1-al10-scwrl 69.7407 cost/residue, 319 clashes 0.165638 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1425 ## OptSubtree 1394 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= 0.943899 0.2417 0.212222 0.0748191 -118.361 114.31 52.7077 # jumping subtree containing (T0187)G310 jump= 0.766201 -0.638048 0.0128686 -0.0752637 -51.5317 -279.342 239.291 # jumping subtree containing (T0187)I271 jump= -0.735622 0.482182 0.10648 0.463705 -102.927 -208.579 150.852 # Removing break before 15 # jumping subtree containing (T0187)P202 jump= -0.994118 -0.0190995 -0.00834481 -0.106274 12.1711 -1.04943 21.9547 # Removing break before 15 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.186651 -0.56755 0.40395 -0.692728 -180.846 241.065 261.255 # jumping subtree containing (T0187)G221 jump= 0.989903 0.000200152 -0.0154409 0.140904 16.72 -10.5059 12.9777 # generation 127: best score out of 40: T0187.try1-al10-scwrl 69.7407 cost/residue, 319 clashes 0.165638 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1436 ## OptSubtree 1407 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)E328 jump= 0.980952 0.093327 -0.161236 -0.0550152 82.2596 65.8344 13.3454 # jumping subtree containing (T0187)G221 jump= 0.54982 -0.145202 -0.776851 0.270401 200.992 102.006 394.802 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.467684 0.575357 -0.669245 -0.048452 -159.967 -161.279 434.079 # jumping subtree containing (T0187)I272 jump= -0.818905 -0.394391 -0.210624 0.359844 -21.6831 212.694 95.9865 # jumping subtree containing (T0187)G221 jump= -0.582698 0.403724 0.274875 0.649549 -123.118 -216.41 169.76 # jumping subtree containing (T0187)G284 jump= 0.409036 0.356443 0.520012 -0.659716 -8.65013 306.45 213.851 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.868077 0.163853 0.0396385 -0.46693 69.5305 -49.1915 6.53727 # Removing break before 26 # Removing break before 86 # generation 128: best score out of 40: T0187.try1-al10-scwrl 69.7404 cost/residue, 319 clashes 0.165639 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 187 ## JiggleSubtree 1455 ## OptSubtree 1423 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 9 # jumping subtree containing (T0187)G323 jump= -0.987537 0.150534 0.0385606 0.0249521 17.8532 -95.5275 37.7203 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.944343 -0.123735 0.252111 0.171308 139.823 54.0815 53.1141 # jumping subtree containing (T0187)S210 jump= 0.593165 0.721158 -0.256594 -0.249491 169.044 127.609 320.845 # jumping subtree containing (T0187)I272 jump= -0.882143 -0.288827 -0.0713348 -0.365122 -69.2652 140.083 21.0839 # jumping subtree containing (T0187)G310 jump= 0.731065 -0.0689123 -0.0423998 0.677494 12.5792 47.545 24.5684 # generation 129: best score out of 40: T0187.try1-al10-scwrl 69.7312 cost/residue, 320 clashes 0.150121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1466 ## OptSubtree 1436 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G323 jump= -0.250274 0.177493 0.950647 -0.0461557 19.1701 41.065 522.251 # jumping subtree containing (T0187)G201 jump= -0.872686 -0.113106 0.296744 -0.370903 119.011 147.262 66.574 # jumping subtree containing (T0187)S207 jump= 0.544945 0.225268 0.757063 -0.281329 -260.398 193.689 268.352 # jumping subtree containing (T0187)I287 jump= 0.170964 -0.595955 0.780068 0.084277 -82.8078 -124.621 478.637 # jumping subtree containing (T0187)G221 jump= -0.912422 0.320563 0.14477 0.209207 16.2651 -170.115 65.5368 # jumping subtree containing (T0187)G310 jump= -0.525301 0.0327826 -0.416722 0.741166 -198.718 160.348 103.509 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= -0.910838 0.388528 -0.139277 -0.00472259 -60.484 -183.544 82.6545 # jumping subtree containing (T0187)L301 jump= -0.607383 -0.453824 0.638281 -0.133142 128.4 164.033 378.029 # jumping subtree containing (T0187)I272 jump= -0.778216 0.0991283 0.5971 -0.167407 224.282 41.337 202.929 # jumping subtree containing (T0187)G201 jump= -0.990631 -0.104199 0.00699848 -0.0880003 22.5792 52.2429 3.19468 # jumping subtree containing (T0187)S227 jump= -0.877879 0.305077 -0.220823 0.295793 -155.974 -107.703 101.771 # generation 130: best score out of 40: T0187.try1-al10-scwrl 69.7307 cost/residue, 320 clashes 0.150121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1474 ## OptSubtree 1452 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S227 jump= 0.165689 -0.748129 -0.216207 -0.605066 -262.524 -100.057 350.298 # jumping subtree containing (T0187)I272 jump= 0.755773 -0.489074 0.425793 0.0911793 -142.305 -218.859 234.535 # Removing break before 41 # Removing break before 86 # jumping subtree containing (T0187)I344 jump= -0.992031 -0.0317731 -0.0968353 0.0740834 -63.9282 -5.50094 -12.6891 # jumping subtree containing (T0187)I272 jump= 0.128808 0.178902 -0.882723 0.414972 2.23498 222.088 473.384 # jumping subtree containing (T0187)I272 jump= 0.611696 -0.689644 0.349928 0.166644 -53.1542 -261.402 288.24 # generation 131: best score out of 40: T0187.try1-al10-scwrl 69.7296 cost/residue, 320 clashes 0.150121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1492 ## OptSubtree 1469 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V216 jump= -0.903925 0.0490496 0.204519 0.372406 91.5524 -61.9739 44.1815 # jumping subtree containing (T0187)R230 jump= 0.00269578 -0.0631301 -0.960315 0.271665 -24.5324 156.202 514.831 # jumping subtree containing (T0187)G310 jump= 0.536601 0.0430816 -0.746865 0.39038 191.888 161.475 330.801 # jumping subtree containing (T0187)G221 jump= 0.884956 -0.405779 0.149185 -0.173033 -139.28 -193.051 128.834 # jumping subtree containing (T0187)I272 jump= 0.734252 0.0199785 0.659972 -0.157838 -314.237 45.0182 192.165 # Removing break before 41 # jumping subtree containing (T0187)K263 jump= 0.882197 -0.0715857 -0.340132 -0.31767 123.618 -105.02 87.6304 # generation 132: best score out of 40: T0187.try1-al10-scwrl 69.7294 cost/residue, 320 clashes 0.150121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1510 ## OptSubtree 1483 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.945488 -0.227804 0.155233 0.17338 75.5719 90.4572 29.3721 # Removing break before 58 # jumping subtree containing (T0187)G310 jump= -0.566733 0.455277 -0.54049 -0.423565 -81.3045 -282.694 248.003 # jumping subtree containing (T0187)G310 jump= -0.9966 -0.0327965 -0.0577181 0.0487995 -33.4836 10.8423 -27.4936 # jumping subtree containing (T0187)G310 jump= -0.907192 0.288685 -0.305362 0.0204387 -155.8 -173.125 78.4885 # jumping subtree containing (T0187)G310 jump= 0.130407 -0.989069 -0.0326495 -0.0605857 -31.1853 -22.4559 603.154 # jumping subtree containing (T0187)G310 jump= -0.733788 -0.374247 -0.566314 -0.0279734 -255.608 181.16 237.838 # jumping subtree containing (T0187)G310 jump= -0.642137 0.716759 0.27065 0.0257747 58.1552 -238.689 352.254 # jumping subtree containing (T0187)I287 jump= 0.983117 0.12565 0.114908 0.0670038 -93.9257 72.6519 11.8102 # jumping subtree containing (T0187)T350 jump= -0.22608 -0.16179 0.9593 -0.0495554 65.56 55.8319 528.232 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.815894 -0.0210614 0.450123 -0.362301 -237.473 99.4172 100.885 # generation 133: best score out of 40: T0187.try1-al10-scwrl 69.7286 cost/residue, 320 clashes 0.150122 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1517 ## OptSubtree 1500 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= 0.737785 0.530935 0.288628 -0.300791 -50.5108 269.923 201.504 # jumping subtree containing (T0187)G310 jump= -0.514911 -0.243127 0.0794288 -0.818197 -148.772 148.847 56.7047 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= 0.993686 -0.0712613 -0.0410893 0.0763059 25.1571 -43.8834 -2.86243 # jumping subtree containing (T0187)K263 jump= 0.898545 -0.183237 -0.398765 0.00520269 166.895 -85.5532 140.845 # Removing break before 86 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)E235 jump= -0.817019 0.274215 0.49449 -0.112988 250.26 -63.9297 195.586 # jumping subtree containing (T0187)T350 jump= -0.999654 -0.00980216 -0.0231979 0.00763059 -16.1753 6.51593 27.4799 # jumping subtree containing (T0187)K263 jump= 0.0969671 -0.497315 -0.862073 -0.0102642 2.3392 -20.2048 580.412 # generation 134: best score out of 40: T0187.try1-al10-scwrl 69.7286 cost/residue, 320 clashes 0.150122 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1531 ## OptSubtree 1510 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K259 jump= 0.462081 -0.243114 -0.812984 0.257749 205.921 69.622 481.898 # jumping subtree containing (T0187)G201 jump= -0.798412 -0.102871 -0.557803 -0.20202 -286.474 17.0649 154.076 # jumping subtree containing (T0187)G310 jump= 0.982942 0.12588 0.0984337 0.0910508 -75.5106 58.6219 10.4299 # Removing break before 26 # Removing break before 86 # jumping subtree containing (T0187)I287 jump= 0.722356 0.235148 -0.0832684 0.644961 -68.7965 121.843 38.2178 # generation 135: best score out of 40: T0187.try1-al10-scwrl 69.728 cost/residue, 320 clashes 0.150122 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1542 ## OptSubtree 1523 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I344 jump= 0.992719 0.0382191 0.0883248 0.0724346 -62.6935 9.75065 1.24624 # jumping subtree containing (T0187)A334 jump= 0.843396 0.101516 0.482701 -0.213022 -261.546 93.2507 88.9329 # jumping subtree containing (T0187)H246 jump= -0.237389 0.647505 -0.0198263 0.723872 -316.386 -72.3828 254.141 # Removing break before 26 # jumping subtree containing (T0187)K263 jump= 0.0416225 0.0685058 -0.446766 -0.891053 -17.7992 -279.79 128.202 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.276381 0.00987123 0.274328 -0.92101 -96.1558 183.166 78.1361 # jumping subtree containing (T0187)G310 jump= 0.554583 0.131424 0.377818 0.729671 -162.667 -59.5637 73.2952 # jumping subtree containing (T0187)L301 jump= -0.317185 -0.313014 -0.762971 0.468285 -107.553 273.039 359.214 # jumping subtree containing (T0187)A330 jump= 0.8115 -0.0973795 0.239403 -0.524091 -168.305 -0.714449 54.1493 # jumping subtree containing (T0187)K263 jump= 0.501557 0.0771925 -0.744584 0.433678 148.683 196.438 330.226 # jumping subtree containing (T0187)G221 jump= -0.987629 0.0717763 -0.071041 0.119957 -59.1891 -65.2894 2.1334 # jumping subtree containing (T0187)F309 jump= 0.599782 -0.348653 -0.455841 -0.557595 0.815493 -269.246 221.213 # generation 136: best score out of 40: T0187.try1-al10-scwrl 69.7277 cost/residue, 320 clashes 0.150121 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 72 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1549 ## OptSubtree 1540 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H246 jump= -0.978701 0.00972432 0.0280936 -0.203125 33.7922 -2.76887 11.1856 # jumping subtree containing (T0187)G323 jump= -0.896311 0.42264 -0.1123 0.0734198 -79.3757 -226.114 87.0134 # jumping subtree containing (T0187)G310 jump= 0.657391 -0.126897 0.177741 -0.721209 -151.194 20.8256 45.8928 # jumping subtree containing (T0187)T209 jump= 0.978338 -0.0218982 -0.196 -0.0629141 88.4216 -9.15695 49.1375 # jumping subtree containing (T0187)G221 jump= -0.804422 0.593961 -0.00793341 -0.00728825 -3.82853 -282.761 213.326 # jumping subtree containing (T0187)L301 jump= -0.0145137 0.632362 0.135454 0.762601 -300.949 -4.27427 262.428 # jumping subtree containing (T0187)K263 jump= 0.434825 0.709781 -0.317528 0.454218 -93.6899 269.356 360.803 # generation 137: best score out of 40: T0187.try1-al10-scwrl 69.634 cost/residue, 318 clashes 0.148142 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1554 ## OptSubtree 1558 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T313 jump= 0.398558 -0.388899 -0.76508 -0.32336 37.7593 -215.317 429.02 # jumping subtree containing (T0187)A334 jump= 0.954201 -0.0509538 0.263244 0.132688 -137.743 -29.8772 42.5309 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)N242 jump= -0.348601 0.907599 -0.233905 0.00536215 -22.5686 -126.804 493.707 # jumping subtree containing (T0187)E235 jump= -0.487241 0.62223 0.426091 0.44031 -99.7194 -242.255 375.153 # jumping subtree containing (T0187)I272 jump= -0.903515 0.312913 0.197322 0.216355 45.2599 -198.943 93.1619 # Removing break before 86 # jumping subtree containing (T0187)P202 jump= 0.699303 -0.538779 -0.272871 -0.382406 -64.4674 -280.811 251.683 # generation 138: best score out of 40: T0187.try1-al10-scwrl 69.634 cost/residue, 318 clashes 0.148142 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1564 ## OptSubtree 1575 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= 0.900415 0.094432 -0.379781 0.190005 196.423 124.897 92.0889 # jumping subtree containing (T0187)K263 jump= -0.985677 -0.149466 -0.0215892 -0.0750657 -31.4992 91.5873 26.5402 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= 0.783281 -0.145056 0.119336 0.592612 -10.1153 -96.1616 0.708885 # jumping subtree containing (T0187)G310 jump= 0.691024 -0.235856 -0.192935 0.655465 167.784 44.6745 58.4846 # jumping subtree containing (T0187)K263 jump= -0.606745 -0.170573 0.769051 -0.106422 265.429 107.275 371.408 # jumping subtree containing (T0187)K263 jump= -0.731672 -0.420987 0.521583 -0.124006 212.758 242.102 275.822 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.974005 0.162842 -0.115795 0.106714 -106.899 -95.3195 48.3919 # generation 139: best score out of 40: T0187.try1-al10-scwrl 69.634 cost/residue, 318 clashes 0.148142 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1577 ## OptSubtree 1593 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)T350 jump= -0.646572 0.548025 -0.220391 0.482744 -250.696 -120.339 228.754 # Removing break before 86 # jumping subtree containing (T0187)H246 jump= -0.862822 0.21038 -0.0103441 -0.459534 70.6881 -107.317 38.5503 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.807957 -0.296007 -0.498459 0.105472 251.86 -118.405 226.782 # Removing break before 58 # jumping subtree containing (T0187)T350 jump= 0.599468 0.272186 -0.169191 0.733435 -86.1069 191.402 72.3444 # jumping subtree containing (T0187)G339 jump= 0.899042 0.172106 -0.16023 0.369364 56.5782 115.734 27.9201 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= -0.618823 -0.4813 0.602833 -0.14833 166.402 252.882 369.7 # jumping subtree containing (T0187)K263 jump= 0.959071 -0.233867 0.0768937 0.139918 -6.40248 -154.547 40.3084 # jumping subtree containing (T0187)K263 jump= -0.866682 0.216931 0.284966 0.347272 79.9984 -156.606 88.3539 # jumping subtree containing (T0187)E235 jump= 0.831799 0.208603 0.0176074 -0.514086 68.4834 109.126 19.7166 # jumping subtree containing (T0187)G201 jump= 0.919347 0.346643 -0.0565615 -0.177314 63.5951 176.303 54.6178 # jumping subtree containing (T0187)G201 jump= -0.666083 0.507676 -0.403205 0.368815 -298.083 -144.484 282.791 # generation 140: best score out of 40: T0187.try1-al10-scwrl 69.634 cost/residue, 318 clashes 0.148142 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1585 ## OptSubtree 1609 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= 0.891839 -0.210371 -0.396177 0.0584075 220.261 -102.187 153.701 # jumping subtree containing (T0187)G310 jump= -0.706177 0.286377 0.614893 -0.202998 288.907 -11.4755 304.295 # jumping subtree containing (T0187)K263 jump= 0.966048 -0.0571872 0.1652 0.190237 -66.3347 -52.7367 2.98628 # Removing break before 26 # jumping subtree containing (T0187)T350 jump= -0.537397 0.375781 -0.146828 0.740564 -227.068 -39.1455 97.7584 # jumping subtree containing (T0187)V216 jump= 0.984182 -0.106499 -0.0524761 -0.13149 34.1397 -54.0681 6.68636 # Removing break before 94 # jumping subtree containing (T0187)K263 jump= -0.901266 0.383236 -0.187102 0.0764353 -119.045 -184.084 129.385 # jumping subtree containing (T0187)K263 jump= 0.988935 0.0164182 0.0355736 -0.14308 -30.3102 29.8719 11.373 # jumping subtree containing (T0187)G310 jump= 0.463668 -0.204971 0.376544 -0.775379 -273.964 108.045 142.192 # generation 141: best score out of 40: T0187.try1-al10-scwrl 69.6334 cost/residue, 318 clashes 0.148142 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 25 ## CrossAndInsert 26 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1592 ## OptSubtree 1626 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.829606 0.405756 -0.3835 0.006646 191.459 197.712 186.292 # jumping subtree containing (T0187)K263 jump= -0.998427 0.00104301 -0.0366619 -0.0424162 -20.7512 21.7266 -9.14808 # jumping subtree containing (T0187)K263 jump= -0.864045 0.307252 -0.17326 -0.359172 -4.52975 -191.024 87.8544 # jumping subtree containing (T0187)K263 jump= -0.863355 0.108751 -0.462985 0.168628 -276.519 12.4597 143.766 # jumping subtree containing (T0187)H246 jump= -0.860071 -0.39744 -0.207679 0.243289 -52.8487 226.919 121.858 # jumping subtree containing (T0187)G221 jump= 0.962687 0.124541 0.238402 -0.0297838 -154.349 83.8466 7.27896 # generation 142: best score out of 40: T0187.try1-al10-scwrl 69.6334 cost/residue, 318 clashes 0.148142 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 26 ## CrossAndInsert 26 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1602 ## OptSubtree 1639 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.764937 0.347428 0.531095 0.110012 -305.475 155.796 192.572 # jumping subtree containing (T0187)G310 jump= 0.833871 -0.289367 -0.252337 -0.396549 23.7954 -206.487 115.718 # Removing break before 15 # jumping subtree containing (T0187)K263 jump= -0.941015 -0.208725 -0.0322146 -0.26436 -36.2284 104.716 15.2922 # jumping subtree containing (T0187)K263 jump= -0.526635 -0.639151 -0.051071 0.558151 204.204 226.408 243.929 # jumping subtree containing (T0187)T350 jump= 0.823685 0.136725 0.232713 -0.498692 -102.739 122.562 61.7836 # Removing break before 94 # generation 143: best score out of 40: T0187.try1-al10-scwrl 69.6327 cost/residue, 318 clashes 0.148142 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 26 ## CrossAndInsert 26 ## ReduceClash 73 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1606 ## OptSubtree 1659 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= 0.569156 0.416297 0.379192 0.599142 -292.924 5.73143 221.778 # jumping subtree containing (T0187)G310 jump= 0.297928 -0.714389 0.522945 0.356953 41.1992 -213.491 452.577 # jumping subtree containing (T0187)K263 jump= -0.442886 -0.132655 -0.870567 0.168427 -240.917 112.014 478.176 # jumping subtree containing (T0187)K263 jump= 0.105249 -0.546179 -0.685281 -0.470108 -114.594 -213.246 474.143 # jumping subtree containing (T0187)G266 jump= -0.481178 -0.812306 -0.329576 -0.00247716 -111.209 274.526 440.461 # jumping subtree containing (T0187)G310 jump= 0.871056 0.19667 -0.0178695 -0.449737 34.2 61.8856 21.845 # jumping subtree containing (T0187)A334 jump= -0.9333 -0.29903 -0.146732 -0.134169 -124.505 154.147 63.9287 # jumping subtree containing (T0187)G310 jump= 0.866437 0.389471 -0.177545 0.257055 48.5536 267.956 111.673 # jumping subtree containing (T0187)K263 jump= 0.999242 -0.0387508 -0.000109478 -0.00363689 -20.4094 -34.161 15.7119 # jumping subtree containing (T0187)I272 jump= -0.638243 -0.329382 0.155969 -0.678105 -65.2017 203.119 87.7165 # jumping subtree containing (T0187)A336 jump= 0.470011 0.12374 -0.106681 0.867409 -31.0757 110.086 23.1045 # jumping subtree containing (T0187)K263 jump= 0.0761257 -0.94448 0.033319 0.317887 179.583 -18.987 571.319 # generation 144: best score out of 40: T0187.try1-al10-scwrl 69.6112 cost/residue, 319 clashes 0.148092 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 26 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1613 ## OptSubtree 1675 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.0300406 -0.0956337 0.12459 0.987132 7.86057 -41.2277 9.03608 # jumping subtree containing (T0187)K263 jump= -0.909491 -0.120175 0.303262 0.257713 168.685 13.1565 88.7038 # jumping subtree containing (T0187)K263 jump= -0.809488 0.251995 -0.460946 0.262213 -308.716 -54.1161 170.459 # jumping subtree containing (T0187)I272 jump= -0.18292 0.839615 -0.220248 0.461604 -286.959 -20.8865 506.629 # jumping subtree containing (T0187)K263 jump= 0.51365 -0.238776 0.0252827 -0.823717 -175.003 -21.5554 36.67 # jumping subtree containing (T0187)K263 jump= -0.205992 0.165725 0.879917 -0.394778 145.686 185.816 475.496 # jumping subtree containing (T0187)G310 jump= -0.738284 -0.137805 -0.632941 0.18797 -317.658 115.458 218.974 # generation 145: best score out of 40: T0187.try1-al10-scwrl 69.6112 cost/residue, 319 clashes 0.148092 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 26 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1621 ## OptSubtree 1691 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K295 jump= -0.613221 0.415586 0.156964 -0.653154 199.357 -78.9277 120.073 # jumping subtree containing (T0187)G221 jump= 0.122945 0.794383 -0.448498 0.390756 -151.663 118.107 496.116 # jumping subtree containing (T0187)L301 jump= -0.239801 -0.473661 0.846812 -0.0324116 81.3793 75.0749 576.492 # jumping subtree containing (T0187)K263 jump= 0.768275 0.166686 -0.565754 -0.248778 278.084 13.1396 216.313 # jumping subtree containing (T0187)T350 jump= 0.467913 -0.769808 0.00665651 -0.434061 -192.93 -228.297 368.558 # jumping subtree containing (T0187)K263 jump= -0.456231 0.705116 -0.0809259 -0.536764 223.844 -197.231 313.319 # jumping subtree containing (T0187)K263 jump= 0.820081 0.542265 0.00505099 -0.18273 65.9544 310.566 152.54 # jumping subtree containing (T0187)G310 jump= 0.745363 0.101057 -0.213117 0.62354 60.3894 127.989 40.4988 # Removing break before 86 # Removing break before 15 # jumping subtree containing (T0187)T350 jump= 0.877052 -0.320867 0.352718 -0.058432 -202.654 -183.143 149.394 # Removing break before 26 # jumping subtree containing (T0187)I272 jump= -0.573088 -0.333624 0.178025 0.72703 184.994 53.8632 98.0303 # generation 146: best score out of 40: T0187.try1-al10-scwrl 69.6103 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1632 ## OptSubtree 1710 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= -0.727386 -0.0394187 0.397365 -0.558083 118.241 172.139 118.932 # jumping subtree containing (T0187)E235 jump= -0.406276 -0.334056 0.745594 -0.409188 82.6836 276.101 415.875 # jumping subtree containing (T0187)E235 jump= -0.552259 0.111582 -0.587121 0.581247 -217.751 199.944 230.889 # Removing break before 26 # jumping subtree containing (T0187)E328 jump= 0.216259 0.391107 -0.472252 0.759767 -105.432 272.809 226.436 # generation 147: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1640 ## OptSubtree 1726 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.994069 0.0466217 0.0317346 0.0929804 -1.35334 38.3431 16.2081 # jumping subtree containing (T0187)K263 jump= -0.394014 0.831473 0.391415 0.0141415 70.1515 -141.92 485.724 # jumping subtree containing (T0187)L214 jump= -0.779919 0.0553292 -0.443075 0.438576 -253.538 71.2857 126.045 # jumping subtree containing (T0187)G310 jump= 0.985775 -0.156517 0.0252 -0.0558181 -17.5906 -70.8907 13.086 # jumping subtree containing (T0187)K263 jump= 0.999999 -0.000271452 -0.000778987 -0.00146145 22.4629 -5.35242 0.676668 # jumping subtree containing (T0187)I287 jump= -0.858788 0.130002 0.127313 0.478931 23.8759 -136.252 38.551 # jumping subtree containing (T0187)I287 jump= 0.348842 0.596756 0.707073 -0.149131 -101.723 198.799 508.887 # Removing break before 86 # generation 148: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1647 ## OptSubtree 1743 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= 0.195685 0.521224 -0.792432 -0.249168 185.651 -42.0716 573.603 # jumping subtree containing (T0187)G310 jump= 0.999263 0.0204382 -0.0214141 -0.0244573 26.8295 7.75386 20.9626 # Removing break before 15 # Removing break before 86 # Removing break before 86 # jumping subtree containing (T0187)T273 jump= 0.969248 -0.0859438 0.227972 -0.0346439 -118.526 -52.7726 28.1117 # jumping subtree containing (T0187)K263 jump= -0.244844 0.147725 0.561073 0.776805 -6.97178 -268.859 218.02 # jumping subtree containing (T0187)G310 jump= -0.998772 0.00461176 -0.0480036 -0.0113315 -27.4736 -19.8707 -3.21415 # jumping subtree containing (T0187)K263 jump= -0.762337 -0.475587 -0.316159 -0.304472 -242.338 204.053 183.015 # jumping subtree containing (T0187)G310 jump= 0.362817 -0.676093 -0.104445 -0.632735 -288.751 -161.408 309.868 # jumping subtree containing (T0187)I344 jump= 0.415707 -0.330319 -0.513167 -0.674342 -22.7441 -285.241 211.062 # Removing break before 26 # Removing break before 41 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.989103 -0.0982401 0.0692042 0.0850561 -59.0433 -73.6873 10.3017 # jumping subtree containing (T0187)A336 jump= -0.975802 -0.0589047 0.0287929 -0.208596 7.19006 18.1447 -5.19827 # jumping subtree containing (T0187)E235 jump= 0.871302 0.19305 0.218011 -0.395013 -74.9847 119.373 43.4639 # jumping subtree containing (T0187)K295 jump= 0.123129 -0.248861 -0.916393 -0.288323 -4.76532 -153.685 549.232 # generation 149: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1655 ## OptSubtree 1759 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.00550237 -0.307501 0.387229 0.869176 129.873 -166.223 137.893 # jumping subtree containing (T0187)G221 jump= 0.964401 0.245991 -0.079647 0.0554524 22.3897 155.94 60.6346 # jumping subtree containing (T0187)G310 jump= -0.96033 0.202328 0.156154 -0.11156 98.9832 -88.1698 77.0636 # jumping subtree containing (T0187)E235 jump= -0.992284 -0.0692607 0.0591485 0.0841208 52.1677 25.134 24.4665 # Removing break before 15 # jumping subtree containing (T0187)G310 jump= -0.0604079 0.244872 0.529354 0.810045 -164.047 -205.309 207.547 # jumping subtree containing (T0187)G310 jump= 0.433018 0.0282879 0.203848 0.877577 -74.8867 -33.4265 14.4019 # jumping subtree containing (T0187)I272 jump= 0.453052 -0.603756 -0.361059 0.547594 251.916 -37.5517 268.531 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.992447 0.104326 0.0643126 -0.00536688 63.6154 -65.6505 8.22484 # jumping subtree containing (T0187)G310 jump= 0.69301 -0.401085 -0.00704556 0.599015 126.818 -130.394 83.761 # generation 150: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1663 ## OptSubtree 1775 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.752646 0.443125 -0.377584 -0.307563 260.655 130.617 262.115 # jumping subtree containing (T0187)G221 jump= 0.725816 -0.511949 0.0263273 -0.4587 -171.942 -225.155 187.702 # jumping subtree containing (T0187)I272 jump= 0.299203 0.40177 0.83392 0.231593 -230.322 -51.3348 518.131 # jumping subtree containing (T0187)I272 jump= 0.38323 -0.0371894 0.844889 -0.371369 -225.789 189.813 417.794 # jumping subtree containing (T0187)G221 jump= -0.755733 0.620047 0.0553813 0.203329 -63.8687 -284.348 270.015 # jumping subtree containing (T0187)L301 jump= -0.904957 -0.291095 0.2854 0.121918 173.385 101.387 104.159 # jumping subtree containing (T0187)K263 jump= -0.711254 -0.233662 -0.125305 -0.651013 -149.373 55.4029 53.2195 # jumping subtree containing (T0187)K263 jump= 0.671514 -0.419621 0.577424 -0.198922 -311.363 -111.42 315.697 # jumping subtree containing (T0187)K263 jump= 0.707374 -0.0238115 -0.222592 0.670454 107.369 106.64 69.5367 # jumping subtree containing (T0187)G201 jump= -0.647602 0.50821 0.236203 -0.516277 238.348 -84.0113 182.315 # Removing break before 41 # jumping subtree containing (T0187)A336 jump= 0.510926 0.343456 -0.658585 -0.432733 255.555 -78.1339 340.224 # generation 151: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1671 ## OptSubtree 1791 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.667477 0.557652 0.0786782 0.487144 -142.776 -260.695 228.873 # generation 152: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1679 ## OptSubtree 1807 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.836899 0.21869 0.479689 0.147217 215.477 -172.1 175.177 # jumping subtree containing (T0187)L214 jump= -0.6143 -0.748401 0.145665 -0.203257 -31.2102 333.488 348.582 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= -0.730264 -0.254061 -0.326804 0.543476 -96.7522 209.087 102.269 # Removing break before 41 # Removing break before 86 # generation 153: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1689 ## OptSubtree 1821 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.903528 -0.334757 -0.23896 -0.120304 87.202 -181.49 128.697 # jumping subtree containing (T0187)N242 jump= 0.655633 -0.395903 0.0926074 -0.636263 -240.864 -140.295 122.523 # jumping subtree containing (T0187)E235 jump= 0.441791 -0.325361 0.0919045 0.830972 154.088 -92.3232 56.0192 # jumping subtree containing (T0187)K263 jump= 0.260725 -0.580517 -0.737445 -0.226269 -4.93765 -186.201 562.112 # jumping subtree containing (T0187)L240 jump= 0.932635 0.227221 0.277961 0.0360754 -180.308 116.822 88.7281 # jumping subtree containing (T0187)G221 jump= 0.996795 -0.0395438 -0.0658501 0.0223741 16.0977 -18.528 -5.54809 # jumping subtree containing (T0187)G310 jump= -0.387861 0.471079 -0.253842 -0.750475 141.249 -168.981 122.682 # jumping subtree containing (T0187)I272 jump= 0.621975 0.410417 0.446377 -0.495432 -65.4709 284.501 205.419 # jumping subtree containing (T0187)E328 jump= -0.892209 0.268077 -0.358455 0.0600702 -211.454 -146.524 101.299 # jumping subtree containing (T0187)L301 jump= -0.99625 -0.0547536 -0.0585599 -0.0325424 -36.5133 43.9765 27.0329 # jumping subtree containing (T0187)G201 jump= 0.904603 -0.360124 -0.188962 0.127658 124.216 -143.171 102.792 # generation 154: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 27 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1693 ## OptSubtree 1841 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.580274 0.296135 -0.170668 -0.739229 53.9066 -123.347 33.6684 # jumping subtree containing (T0187)G310 jump= -0.859429 0.477592 0.168657 -0.0695934 111.089 -216.493 207.118 # jumping subtree containing (T0187)K263 jump= -0.714393 -0.508197 -0.476794 0.0636072 -222.896 284.47 265.285 # jumping subtree containing (T0187)N242 jump= 0.540052 -0.13219 -0.121942 0.822192 70.3784 10.2428 16.8295 # jumping subtree containing (T0187)G310 jump= -0.772816 0.0303731 0.0105334 0.633815 -51.3977 -29.5702 8.772 # jumping subtree containing (T0187)T350 jump= 0.764283 -0.470105 0.0769167 -0.434691 -162.447 -196.898 178.791 # jumping subtree containing (T0187)N268 jump= 0.0934872 0.138165 -0.910742 0.377784 -2.52045 219.876 536.12 # jumping subtree containing (T0187)L301 jump= 0.631376 -0.0135444 -0.0510419 0.773677 -2.88341 67.4693 27.0714 # jumping subtree containing (T0187)G310 jump= -0.404001 -0.420779 -0.226157 -0.780116 -306.998 42.5973 144.703 # generation 155: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1697 ## OptSubtree 1857 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)P202 jump= -0.958847 0.0559127 0.201479 -0.192073 105.947 27.6372 41.4768 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= -0.957075 0.175847 -0.0984191 -0.208322 -9.86932 -105.93 8.85803 # jumping subtree containing (T0187)G221 jump= 0.273193 -0.0658451 0.616376 0.735602 -98.2634 -285.569 230.306 # jumping subtree containing (T0187)G323 jump= -0.103662 -0.868062 0.420689 -0.24237 -123.739 95.8774 538.957 # jumping subtree containing (T0187)A336 jump= -0.395243 0.846975 0.352372 0.0474376 45.3612 -176.171 507.548 # jumping subtree containing (T0187)L301 jump= 0.690513 -0.121212 -0.418844 0.577121 169.998 132.327 148.331 # jumping subtree containing (T0187)I272 jump= -0.795728 0.274 0.321533 0.434002 62.8757 -214.14 103.865 # jumping subtree containing (T0187)G310 jump= 0.953578 0.245557 -0.0942867 0.146632 17.993 164.936 57.0269 # generation 156: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1705 ## OptSubtree 1873 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A334 jump= -0.648304 -0.169111 -0.469077 0.575386 -151.608 226.493 132.16 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.584723 -0.589116 -0.210141 -0.516607 -267.878 193.036 224.214 # jumping subtree containing (T0187)G310 jump= 0.339798 0.475079 -0.260499 0.76875 -197.239 244.27 195.023 # jumping subtree containing (T0187)G310 jump= -0.379637 0.665572 -0.299 0.568761 -345.875 -35.1348 358.49 # jumping subtree containing (T0187)I271 jump= -0.148657 0.435991 -0.639772 -0.615227 97.4322 -253.612 336.133 # jumping subtree containing (T0187)K263 jump= -0.920162 -0.0420921 -0.37668 -0.0981959 -224.024 16.7733 88.2124 # jumping subtree containing (T0187)G310 jump= 0.141337 0.206888 -0.647518 -0.719682 71.804 -248.931 274.01 # jumping subtree containing (T0187)A336 jump= -0.197067 -0.356811 -0.663416 -0.627478 -235.89 -181.008 334.462 # Removing break before 86 # jumping subtree containing (T0187)G221 jump= -0.25378 0.528017 0.671867 -0.453198 210.538 164.12 449.156 # jumping subtree containing (T0187)G201 jump= 0.867422 0.290187 -0.00968669 0.404076 -76.1387 196.37 26.2977 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.606634 -0.760677 -0.186186 -0.13675 -131.632 298.748 377.079 # generation 157: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1711 ## OptSubtree 1891 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.566657 0.325575 -0.469583 0.593627 6.55117 324.896 239.897 # jumping subtree containing (T0187)G201 jump= -0.992482 0.0960557 -0.0492329 0.0576991 -32.9465 -49.2833 21.0814 # jumping subtree containing (T0187)G310 jump= -0.994665 -0.0132961 -0.0948917 0.038224 -65.3139 16.4142 25.5123 # generation 158: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1721 ## OptSubtree 1905 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= 0.955278 0.238414 0.171953 0.0321823 -125.402 139.804 55.2392 # jumping subtree containing (T0187)G201 jump= -0.79987 0.398954 0.213811 0.394117 -10.3871 -266.048 148.406 # Removing break before 86 # jumping subtree containing (T0187)G221 jump= 0.00901676 0.332278 -0.300699 -0.893918 167.45 -152.003 89.1464 # Removing break before 86 # jumping subtree containing (T0187)R299 jump= -0.943761 0.0631156 -0.15612 -0.28453 -95.6028 -22.9603 -3.22707 # jumping subtree containing (T0187)G310 jump= -0.119026 -0.92178 0.368412 -0.0206818 31.8215 92.1268 577.465 # jumping subtree containing (T0187)G221 jump= 0.841373 -0.175302 -0.239531 0.451648 159.305 17.0807 47.7441 # generation 159: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1727 ## OptSubtree 1923 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I272 jump= -0.81172 -0.104145 -0.146836 0.555611 -52.6086 90.5278 13.4837 # jumping subtree containing (T0187)K263 jump= -0.0902886 -0.586188 0.56215 -0.576384 -203.556 273.495 427.74 # jumping subtree containing (T0187)G310 jump= 0.355658 0.746919 0.225372 0.514613 -303.944 143.249 384.89 # jumping subtree containing (T0187)H246 jump= -0.452741 0.378492 0.00994917 -0.807261 145.999 -92.7388 83.2896 # jumping subtree containing (T0187)K295 jump= -0.988301 -0.0456058 -0.0250642 -0.143362 -14.0354 5.57244 -2.92676 # jumping subtree containing (T0187)I272 jump= -0.763288 -0.227834 0.363424 0.48312 223.745 -24.6797 112.559 # generation 160: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1734 ## OptSubtree 1940 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.0594641 -0.073533 -0.821549 0.562241 -50.7054 302.063 471.816 # jumping subtree containing (T0187)G310 jump= 0.935249 0.251764 -0.229996 0.0950064 91.2504 160.239 67.4117 # jumping subtree containing (T0187)G310 jump= -0.813797 0.131191 0.315184 0.470301 103.993 -171.227 85.2617 # jumping subtree containing (T0187)L301 jump= 0.896048 0.0474646 -0.418258 -0.141087 215.391 -8.70962 116.073 # Removing break before 58 # jumping subtree containing (T0187)N268 jump= -0.961065 -0.0244402 -0.0765523 -0.264378 -46.9999 27.4195 9.21021 # jumping subtree containing (T0187)G310 jump= 0.989226 0.110521 0.0953742 -0.0109548 -63.678 46.2943 1.32657 # jumping subtree containing (T0187)G310 jump= 0.215802 0.847733 0.114155 -0.470899 204.684 181.572 408.103 # Removing break before 41 # Removing break before 86 # generation 161: best score out of 40: T0187.try1-al10-scwrl 69.6101 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 74 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1746 ## OptSubtree 1952 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.995294 0.0596674 0.0073817 -0.0760008 9.36026 -7.44827 12.964 # Removing break before 41 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= -0.828099 0.0303788 0.498232 0.255135 251.319 -87.806 153.089 # jumping subtree containing (T0187)H246 jump= 0.163808 0.951331 0.255004 0.0557634 -37.7426 114.606 597.51 # jumping subtree containing (T0187)E328 jump= 0.0109501 0.271187 -0.419011 0.866468 -175.421 240.325 153.508 # jumping subtree containing (T0187)G310 jump= 0.934159 -0.243517 -0.0404133 0.257707 88.8779 -107.816 30.5786 # jumping subtree containing (T0187)G310 jump= 0.75409 0.195798 0.312625 0.543395 -209.22 45.7584 40.1576 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= 0.848963 0.0163991 -0.28234 0.446404 145.34 128.898 78.9508 # Removing break before 86 # generation 162: best score out of 40: T0187.try1-al10-scwrl 69.6093 cost/residue, 319 clashes 0.148068 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 60 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1753 ## OptSubtree 1968 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S207 jump= -0.689245 0.53801 -0.364553 -0.320293 -43.1444 -281.142 208.31 # jumping subtree containing (T0187)G310 jump= -0.223361 -0.752394 -0.105452 -0.610649 -333.754 118.501 384.832 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= 0.893197 -0.186893 -0.352013 0.208224 233.729 -46.2152 130.995 # jumping subtree containing (T0187)G310 jump= -0.858301 -0.380256 -0.091873 -0.332092 -124.525 221.231 82.2338 # jumping subtree containing (T0187)H246 jump= -0.495341 0.0580531 -0.315913 -0.807135 -99.7429 -139.971 37.927 # jumping subtree containing (T0187)G310 jump= -0.809667 0.236973 0.413317 0.342712 123.684 -187.089 162.858 # Removing break before 86 # jumping subtree containing (T0187)K295 jump= -0.151371 0.612 -0.776229 -0.00334648 -75.8014 -64.7271 585.428 # generation 163: best score out of 40: T0187.try1-al10-scwrl 69.5538 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1760 ## OptSubtree 1984 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.94075 -0.0043088 0.178795 -0.288104 119.118 71.0057 49.2058 # jumping subtree containing (T0187)K263 jump= 0.684548 -0.686975 -0.144547 -0.196382 -39.4977 -280.87 350.929 # jumping subtree containing (T0187)G310 jump= -0.893738 0.300289 -0.0330496 -0.331613 37.6976 -122.757 48.2174 # jumping subtree containing (T0187)G310 jump= -0.399382 -0.671114 0.276721 -0.559934 -178.373 283.344 336.84 # Removing break before 86 # jumping subtree containing (T0187)I272 jump= 0.599411 0.152442 0.0754761 0.782158 -99.8149 34.9026 -9.10447 # jumping subtree containing (T0187)G221 jump= -0.476102 -0.467354 -0.169138 0.725465 126.62 212.856 110.822 # generation 164: best score out of 40: T0187.try1-al10-scwrl 69.5538 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1769 ## OptSubtree 1999 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.516517 -0.341552 -0.773127 0.137216 -244.43 177.8 442.048 # jumping subtree containing (T0187)K259 jump= -0.932477 0.170296 -0.0727456 -0.310152 1.62642 -83.9216 21.9569 # jumping subtree containing (T0187)G310 jump= 0.813024 0.122687 0.248514 -0.512036 -143.656 122.366 6.91215 # jumping subtree containing (T0187)I272 jump= -0.944616 -0.225945 -0.072282 -0.226772 -49.0269 119.906 -0.798346 # jumping subtree containing (T0187)G310 jump= -0.907508 0.115408 -0.359148 -0.184724 -164.573 -96.2257 79.52 # jumping subtree containing (T0187)G310 jump= 0.263121 -0.585738 0.705701 0.299439 -29.3265 -220.944 490.922 # jumping subtree containing (T0187)K263 jump= -0.90448 0.0991373 0.385367 -0.153558 246.275 -24.3782 129.229 # jumping subtree containing (T0187)G201 jump= -0.650664 0.382971 -0.380799 -0.533818 -23.7276 -260.225 152.332 # jumping subtree containing (T0187)E235 jump= -0.578784 0.604042 -0.130452 -0.532094 157.292 -247.292 226.573 # jumping subtree containing (T0187)G310 jump= -0.998973 0.0138408 -0.0398053 0.0166613 -23.0093 -7.2232 1.21411 # Removing break before 86 # jumping subtree containing (T0187)C346 jump= 0.5894 -0.489852 -0.477569 0.429628 227.136 -11.2935 256.5 # jumping subtree containing (T0187)G310 jump= -0.840337 0.256356 -0.459557 -0.130086 -229.142 -152.676 143.381 # jumping subtree containing (T0187)G201 jump= 0.530935 0.4333 -0.570857 -0.452196 247.264 -37.4331 282.879 # generation 165: best score out of 40: T0187.try1-al10-scwrl 69.5538 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1788 ## OptSubtree 2015 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H246 jump= 0.389901 -0.0728411 0.00952866 -0.917922 -74.7411 -41.1225 18.1813 # Removing break before 26 # jumping subtree containing (T0187)G310 jump= -0.938485 0.0629358 0.193738 0.278837 79.7926 -67.2502 57.7695 # jumping subtree containing (T0187)T273 jump= -0.741682 0.218105 0.132635 0.620279 -47.3121 -165.752 67.5253 # jumping subtree containing (T0187)K263 jump= 0.0427934 0.0456163 0.924894 0.375046 -45.0585 -205.539 541.238 # Removing break before 41 # generation 166: best score out of 40: T0187.try1-al10-scwrl 69.5538 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1798 ## OptSubtree 2030 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.994409 -0.0351484 -0.0928735 0.0359132 82.7691 -7.52842 3.47459 # jumping subtree containing (T0187)G310 jump= 0.871307 0.168083 -0.294511 0.354732 96.5287 177.079 99.8815 # jumping subtree containing (T0187)K263 jump= -0.045674 0.0991393 0.513098 0.851361 -71.1625 -251.192 141.798 # jumping subtree containing (T0187)A336 jump= -0.270593 0.42025 0.856904 -0.126033 145.94 -8.02203 548.437 # jumping subtree containing (T0187)N242 jump= -0.393503 0.48182 -0.701406 0.347901 -258.496 42.8607 450.322 # jumping subtree containing (T0187)K263 jump= 0.993256 -0.0823596 -0.0638615 0.0507982 26.4243 -43.271 8.44969 # jumping subtree containing (T0187)G310 jump= 0.520971 -0.637715 0.0898444 0.560211 159.504 -169.116 241.588 # jumping subtree containing (T0187)K263 jump= -0.213322 -0.115196 -0.940712 -0.237245 -163.553 -95.4794 532.424 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= 0.836839 -0.209873 0.00939794 0.505535 68.3723 -91.7378 33.3395 # jumping subtree containing (T0187)K263 jump= 0.373885 -0.782723 0.243209 0.434055 138.571 -217.71 405.801 # jumping subtree containing (T0187)Q234 jump= 0.915745 -0.22756 0.281648 -0.174074 -179.771 -78.6039 82.7963 # jumping subtree containing (T0187)G310 jump= -0.195427 -0.420182 0.364827 0.807562 220.505 -96.5366 159.668 # jumping subtree containing (T0187)G310 jump= -0.33623 -0.0536104 0.267657 0.901352 34.1852 -102.896 27.4262 # Removing break before 86 # jumping subtree containing (T0187)H246 jump= 0.739891 -0.113668 -0.500937 0.4344 246.642 74.0971 162.036 # generation 167: best score out of 40: T0187.try1-al10-scwrl 69.5536 cost/residue, 319 clashes 0.148093 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1804 ## OptSubtree 2048 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.973049 -0.192004 0.0399027 -0.121317 -17.3668 -114.378 28.0488 # jumping subtree containing (T0187)S207 jump= -0.924225 0.128428 0.359572 -0.00468799 177.348 -35.8598 119.602 # jumping subtree containing (T0187)G310 jump= 0.00811844 0.49212 -0.728747 0.476109 -158.405 166.195 456.285 # jumping subtree containing (T0187)L301 jump= -0.937687 -0.0873644 0.280497 -0.185559 120.045 95.3401 56.7949 # jumping subtree containing (T0187)S207 jump= -0.72731 -0.59382 0.33243 0.0888142 151.247 218.179 255.629 # jumping subtree containing (T0187)G310 jump= -0.863431 -0.492562 -0.0947945 0.0536992 -47.841 293.22 112.492 # jumping subtree containing (T0187)L276 jump= 0.519581 -0.259806 0.704754 0.407256 -135.911 -242.641 306.045 # jumping subtree containing (T0187)I272 jump= 0.803631 0.04081 -0.0628149 -0.590395 41.7925 -24.4234 10.6704 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.912284 -0.231916 -0.22885 0.248154 -123.453 176.164 49.7325 # jumping subtree containing (T0187)L301 jump= 0.8285 -0.126086 -0.514599 0.181321 299.068 15.5786 180.222 # jumping subtree containing (T0187)G310 jump= 0.449713 -0.10338 0.469183 0.752953 -127.317 -212.464 90.8458 # jumping subtree containing (T0187)E235 jump= 0.870156 0.117796 0.214517 0.427708 -165.562 12.7906 44.8726 # generation 168: best score out of 40: T0187.try1-al10-scwrl 69.5535 cost/residue, 319 clashes 0.148092 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1810 ## OptSubtree 2066 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)P237 jump= -0.946381 -0.0837252 0.0253126 0.310985 27.0486 13.9088 19.841 # jumping subtree containing (T0187)G310 jump= 0.99997 0.0067373 0.00358359 -0.0016553 -6.08769 14.8063 -11.2831 # jumping subtree containing (T0187)A258 jump= 0.3667 -0.49141 0.783458 -0.101201 -215.995 -93.0257 527.699 # jumping subtree containing (T0187)K263 jump= -0.327145 0.837794 -0.0271547 -0.436279 233.703 -195.465 457.186 # Removing break before 15 # jumping subtree containing (T0187)G310 jump= -0.159087 0.338434 -0.407534 0.833109 -194.972 214.861 184.677 # jumping subtree containing (T0187)G310 jump= -0.920733 -0.206473 -0.0103471 0.330927 -4.81949 79.1657 9.42994 # jumping subtree containing (T0187)G310 jump= -0.502717 -0.808766 0.104232 -0.286895 -109.482 262.2 419.658 # jumping subtree containing (T0187)G221 jump= 0.267162 0.0510853 -0.198858 0.941525 -6.6848 92.6885 27.547 # jumping subtree containing (T0187)G201 jump= 0.456074 -0.161003 -0.0532708 0.873634 71.4347 -22.8591 15.0054 # jumping subtree containing (T0187)K263 jump= -0.532408 -0.198171 0.819864 -0.0713658 257.885 99.1955 476.452 # Removing break before 15 # Removing break before 86 # Removing break before 86 # Removing break before 41 # jumping subtree containing (T0187)G310 jump= -0.207197 -0.167915 -0.549662 0.791673 34.5154 329.573 247.559 # generation 169: best score out of 40: T0187.try1-al10-scwrl 69.5533 cost/residue, 319 clashes 0.148095 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 61 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1818 ## OptSubtree 2082 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)V216 jump= -0.280218 -0.258991 -0.460952 -0.801202 -255.052 -136.463 141.702 # jumping subtree containing (T0187)G310 jump= -0.915036 0.131218 -0.311009 -0.220828 -178.812 -127.511 68.588 # jumping subtree containing (T0187)G310 jump= 0.933411 0.179596 -0.283385 0.127208 149.711 138.431 104.195 # jumping subtree containing (T0187)V216 jump= -0.887086 -0.306451 0.233417 0.254329 155.947 137.104 93.1055 # jumping subtree containing (T0187)A334 jump= 0.888656 -0.323847 -0.0919635 -0.311379 0.725042 -179.457 59.6505 # jumping subtree containing (T0187)G310 jump= 0.391722 -0.521375 -0.340243 -0.677464 -187.398 -225.65 286.413 # jumping subtree containing (T0187)N242 jump= 0.994008 0.103835 -0.0141863 -0.0310728 22.1341 59.7733 -14.3066 # generation 170: best score out of 40: T0187.try1-al10-scwrl 69.5472 cost/residue, 318 clashes 0.152688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1830 ## OptSubtree 2093 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H246 jump= 0.164691 -0.834262 0.33515 -0.405658 -271.761 -21.5108 512.218 # jumping subtree containing (T0187)A334 jump= 0.833985 -0.298253 -0.294062 0.359224 198.864 -81.0981 104.04 # jumping subtree containing (T0187)I245 jump= -0.435552 0.546682 0.339673 -0.629329 282.813 -29.3361 244.156 # Removing break before 58 # jumping subtree containing (T0187)G310 jump= 0.979642 -0.00693058 0.0713514 0.187516 -49.4456 5.9503 -6.12036 # jumping subtree containing (T0187)I344 jump= 0.108226 -0.184267 -0.578438 0.787237 76.2073 254.866 189.998 # jumping subtree containing (T0187)G310 jump= -0.988775 0.121689 0.0829079 0.0253404 64.9733 -58.2825 11.4503 # jumping subtree containing (T0187)G310 jump= -0.604078 -0.350849 -0.71546 -0.0105541 -289.902 131.494 408.764 # jumping subtree containing (T0187)I287 jump= 0.0576916 0.611559 -0.58242 0.532405 -215.734 195.474 464.595 # jumping subtree containing (T0187)K263 jump= -0.724629 -0.300293 -0.618501 -0.0468283 -284.2 122.202 305.495 # jumping subtree containing (T0187)G310 jump= -0.827683 -0.485276 0.268937 -0.0843865 87.053 233.406 211.766 # jumping subtree containing (T0187)G310 jump= 0.688443 0.0146571 -0.282694 -0.667769 148.78 -79.5685 24.5217 # jumping subtree containing (T0187)G221 jump= -0.631516 0.33206 -0.234023 -0.660422 7.88518 -210.064 86.9563 # generation 171: best score out of 40: T0187.try1-al10-scwrl 69.5472 cost/residue, 318 clashes 0.152688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 75 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1838 ## OptSubtree 2109 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)H316 jump= -0.502776 0.474777 -0.707722 0.144684 -242.893 -88.5147 418.349 # jumping subtree containing (T0187)H246 jump= 0.987388 -0.0828319 0.0140422 0.13419 21.457 -71.2562 8.35397 # jumping subtree containing (T0187)G310 jump= 0.827598 0.344429 -0.0776327 0.436375 -5.27013 220.084 53.474 # jumping subtree containing (T0187)I271 jump= -0.652836 -0.755053 -0.060446 -0.00680537 -36.5479 294.95 324.184 # jumping subtree containing (T0187)K263 jump= 0.923747 -0.21616 -0.0807145 -0.305699 6.94814 -107.294 39.6754 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= -0.930956 0.0560481 -0.344531 -0.107135 -178.812 -70.7858 59.7118 # jumping subtree containing (T0187)A336 jump= 0.718202 -0.275043 -0.172467 0.615461 210.1 -41.2031 100.221 # generation 172: best score out of 40: T0187.try1-al10-scwrl 69.5472 cost/residue, 318 clashes 0.152688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1851 ## OptSubtree 2128 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L276 jump= 0.643394 0.631722 -0.152207 -0.404727 202.516 212.718 217.887 # jumping subtree containing (T0187)G201 jump= -0.378915 -0.406037 -0.691614 -0.461765 -314.207 -126.507 409.374 # jumping subtree containing (T0187)G310 jump= -0.530094 0.324465 0.110273 -0.775604 226.964 -48.6649 95.9316 # jumping subtree containing (T0187)K263 jump= -0.999576 -0.00412271 0.0229536 0.0174074 6.48569 20.3975 -18.7958 # jumping subtree containing (T0187)K295 jump= 0.394714 -0.626969 0.0171668 0.671428 269.257 -96.5372 287.535 # jumping subtree containing (T0187)S207 jump= 0.999337 0.0137876 -0.0195224 -0.0274511 29.6565 -9.17859 16.4924 # jumping subtree containing (T0187)G310 jump= -0.377487 -0.300508 -0.534514 0.693897 34.3125 345.08 271.611 # jumping subtree containing (T0187)E328 jump= -0.801964 -0.499378 -0.326851 -0.0253634 -196.11 264.97 209.573 # Removing break before 41 # jumping subtree containing (T0187)K259 jump= -0.0446087 0.275472 -0.723872 -0.630979 64.2417 -289.695 359.135 # jumping subtree containing (T0187)E328 jump= -0.291951 -0.743504 -0.58841 0.125458 -50.8312 138.147 552.503 # generation 173: best score out of 40: T0187.try1-al10-scwrl 69.5468 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1863 ## OptSubtree 2140 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.230118 0.099087 -0.817812 0.518084 -105.93 295.504 471.071 # jumping subtree containing (T0187)L276 jump= -0.20726 0.385449 -0.849419 0.294888 -186.582 96.164 514.6 # jumping subtree containing (T0187)G310 jump= -0.987772 -0.154346 0.0213238 0.00542937 16.8238 67.4124 -7.8229 # jumping subtree containing (T0187)L276 jump= 0.996036 0.0290536 -0.0381954 0.0749016 29.2488 28.4631 14.1666 # jumping subtree containing (T0187)K263 jump= -0.220086 0.555048 0.703819 0.384867 -28.3116 -248.993 522.139 # Removing break before 26 # jumping subtree containing (T0187)L301 jump= -0.0173195 -0.714336 -0.633919 0.295925 124.273 125.457 517.699 # jumping subtree containing (T0187)T313 jump= -0.548581 -0.1355 -0.233361 -0.791354 -97.9827 -66.8878 45.2569 # jumping subtree containing (T0187)G310 jump= -0.971337 -0.050826 0.139152 -0.185895 80.2796 37.849 11.5861 # jumping subtree containing (T0187)E235 jump= 0.966848 0.199058 0.0648064 -0.146221 -21.0821 117.271 42.944 # jumping subtree containing (T0187)K263 jump= 0.377963 -0.829191 -0.0644511 -0.406733 -192.736 -212.639 404.909 # jumping subtree containing (T0187)G310 jump= -0.839359 0.261363 0.450706 -0.155017 297.235 -115.519 187.175 # jumping subtree containing (T0187)G221 jump= -0.431394 -0.473764 -0.616356 0.457769 -54.2581 311.149 393.658 # jumping subtree containing (T0187)K295 jump= 0.785145 -0.115178 -0.373179 0.480644 258.517 53.9017 130.702 # generation 174: best score out of 40: T0187.try1-al10-scwrl 69.5468 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1870 ## OptSubtree 2157 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= 0.47844 -0.0179675 0.666335 -0.571638 -255.275 236.107 265.878 # jumping subtree containing (T0187)L276 jump= 0.883067 0.134916 -0.445438 -0.0597943 242.722 41.6603 131.437 # jumping subtree containing (T0187)K263 jump= 0.818714 -0.383032 0.357767 -0.234513 -263.896 -113.594 232.654 # jumping subtree containing (T0187)L301 jump= -0.956248 -0.271196 -0.10936 -0.00906632 -66.9582 157.659 27.0749 # jumping subtree containing (T0187)E235 jump= 0.582759 0.786451 -0.173177 0.109071 16.1204 269.218 388.961 # jumping subtree containing (T0187)K263 jump= 0.432436 -0.797575 0.406516 -0.107788 -178.366 -173.202 511.16 # jumping subtree containing (T0187)K263 jump= 0.861151 0.055194 -0.347266 -0.367124 237.626 -58.9682 59.4912 # jumping subtree containing (T0187)K263 jump= 0.245818 -0.601011 -0.25942 -0.714885 -226.233 -154.789 277.074 # jumping subtree containing (T0187)G323 jump= 0.937166 -0.10511 0.231553 -0.238861 -164.83 -23.546 27.1272 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.999649 -0.0248081 0.000909145 -0.00925027 16.6405 30.998 16.0968 # jumping subtree containing (T0187)K263 jump= 0.814143 0.422906 -0.141847 0.371754 38.729 250.355 74.7014 # jumping subtree containing (T0187)K263 jump= -0.876488 0.469866 -0.0962135 0.0416753 -46.3383 -232.246 196.735 # generation 175: best score out of 40: T0187.try1-al10-scwrl 69.5462 cost/residue, 318 clashes 0.152688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1877 ## OptSubtree 2174 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= 0.152162 0.119618 0.820816 0.5374 -89.0578 -276.378 404.291 # jumping subtree containing (T0187)V216 jump= 0.937476 0.189202 0.264912 0.123139 -188.346 82.61 73.6494 # jumping subtree containing (T0187)G310 jump= -0.579822 -0.357445 -0.684517 0.259762 -216.839 247.388 403.78 # jumping subtree containing (T0187)G221 jump= -0.34463 -0.742766 0.159319 0.551494 307.188 119.873 337.375 # jumping subtree containing (T0187)K263 jump= 0.917731 0.166075 0.0023111 0.36081 -21.6849 54.4791 -6.77388 # jumping subtree containing (T0187)G201 jump= -0.802376 0.241379 -0.522645 0.157388 -286.278 -61.8711 252.682 # generation 176: best score out of 40: T0187.try1-al10-scwrl 69.5459 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1887 ## OptSubtree 2188 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L301 jump= -0.0833901 -0.974162 -0.201916 0.0573034 33.1611 84.0685 625.273 # jumping subtree containing (T0187)G310 jump= -0.626895 -0.181958 0.686598 0.32012 330.498 -49.8773 271.453 # jumping subtree containing (T0187)L301 jump= -0.974897 -0.0418131 -0.0400157 -0.215003 -21.8371 12.5026 19.452 # jumping subtree containing (T0187)K263 jump= 0.133934 -0.652747 0.592144 0.453154 211.215 -166.892 540.958 # jumping subtree containing (T0187)G310 jump= 0.707486 0.275296 0.353103 0.546804 -230.369 8.15901 113.487 # Removing break before 86 # jumping subtree containing (T0187)V216 jump= -0.718545 0.526218 0.319563 0.323523 63.2934 -313.487 267.512 # Removing break before 86 # generation 177: best score out of 40: T0187.try1-al10-scwrl 69.5459 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1898 ## OptSubtree 2201 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.871085 -0.210864 0.442803 -0.0259364 -239.275 -112.478 195.527 # jumping subtree containing (T0187)G221 jump= 0.219607 0.57599 -0.718124 0.322964 19.1323 285.804 532.857 # jumping subtree containing (T0187)I344 jump= 0.0407952 0.467985 0.707035 0.528609 -171.203 -210.623 463.773 # jumping subtree containing (T0187)G310 jump= -0.307673 -0.479909 0.804852 -0.165038 162.288 195.048 546.407 # jumping subtree containing (T0187)K263 jump= 0.944248 0.316953 0.0633757 -0.0626037 -46.4393 215.563 28.5005 # jumping subtree containing (T0187)K263 jump= -0.974772 0.030934 -0.0529378 0.214615 -26.9111 2.69474 30.0871 # Removing break before 86 # generation 178: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1904 ## OptSubtree 2219 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.81366 -0.20736 0.539932 0.0585938 304.702 106.783 191.41 # jumping subtree containing (T0187)I344 jump= 0.603763 -0.27534 0.515329 -0.542305 -325.008 125.426 250.034 # jumping subtree containing (T0187)K263 jump= 0.972647 -0.188342 -0.099125 -0.0930529 52.07 -86.9164 37.6009 # Removing break before 26 # jumping subtree containing (T0187)I287 jump= 0.123009 -0.319141 -0.553256 -0.759557 -69.7331 -260.636 226.628 # jumping subtree containing (T0187)H316 jump= 0.327474 -0.459523 -0.823749 -0.055105 167.497 -154.052 616.079 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= 0.191616 0.494286 0.7227 -0.443474 67.6665 299.194 558.496 # jumping subtree containing (T0187)K263 jump= -0.878883 -0.111026 0.358344 0.294665 223.901 32.2808 63.5502 # jumping subtree containing (T0187)A336 jump= 0.319599 0.483346 -0.447591 0.681099 -49.6316 263.411 231.23 # jumping subtree containing (T0187)G310 jump= -0.996552 -0.0529998 -0.0339711 -0.0540478 -13.4709 5.27599 -5.7871 # Removing break before 15 # jumping subtree containing (T0187)K263 jump= 0.778312 0.347403 -0.256595 0.455742 45.6544 228.486 97.3714 # Removing break before 86 # jumping subtree containing (T0187)K259 jump= -0.289761 -0.0197221 -0.913086 -0.286224 -112.681 -181.757 534.592 # generation 179: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1911 ## OptSubtree 2236 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.986457 0.115167 0.112159 -0.0325562 -60.164 58.0944 38.1087 # Removing break before 41 # jumping subtree containing (T0187)I344 jump= -0.325505 0.139806 0.631609 0.689616 101.205 -283.559 220.167 # Removing break before 15 # jumping subtree containing (T0187)K238 jump= 0.362406 -0.0161385 0.921266 0.140251 -104.14 -62.6638 540.292 # jumping subtree containing (T0187)G310 jump= -0.286636 0.648258 0.683349 -0.175032 160.085 -50.3484 524.47 # jumping subtree containing (T0187)G339 jump= -0.95352 -0.245779 0.02604 -0.172376 1.48408 120.53 32.7737 # jumping subtree containing (T0187)E235 jump= -0.687306 0.438188 -0.468447 -0.34082 -83.5421 -307.65 304.27 # jumping subtree containing (T0187)K263 jump= -0.879637 -0.332333 0.311742 0.136422 210.064 157.169 122.708 # jumping subtree containing (T0187)I344 jump= 0.995678 0.0526633 -0.0618997 0.0449462 51.8104 35.7753 13.8788 # jumping subtree containing (T0187)A334 jump= -0.976015 0.0812177 0.139158 -0.146404 109.909 -39.4571 1.10123 # generation 180: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1922 ## OptSubtree 2249 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G339 jump= 0.88459 -0.260153 -0.185411 0.33977 194.481 -129.614 82.4786 # jumping subtree containing (T0187)G310 jump= -0.691564 0.621454 0.0204578 -0.367581 190.292 -270.289 305.518 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.539881 -0.465277 0.561523 0.420402 -7.12245 -294.912 342.455 # Removing break before 41 # jumping subtree containing (T0187)K263 jump= 0.1079 -0.523332 0.48762 0.690441 225.85 -242.38 338.336 # Removing break before 86 # jumping subtree containing (T0187)G323 jump= -0.561484 -0.245216 -0.758969 0.220388 -183.973 162.685 370.331 # Removing break before 86 # jumping subtree containing (T0187)L301 jump= 0.66568 0.623209 -0.326336 -0.248967 234.194 196.359 270.586 # jumping subtree containing (T0187)G310 jump= 0.163493 -0.202042 0.791076 -0.553759 -119.689 283.051 486.57 # jumping subtree containing (T0187)G221 jump= 0.986001 -0.0303993 -0.120814 0.11082 58.0819 -15.322 24.6902 # jumping subtree containing (T0187)K263 jump= -0.740045 0.581314 0.0410871 0.335737 -156.556 -256.726 261.243 # generation 181: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1932 ## OptSubtree 2263 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)L276 jump= 0.307593 0.24535 0.0839247 0.915503 -97.3094 -30.3721 49.2155 # jumping subtree containing (T0187)L276 jump= -0.466814 -0.144368 0.240541 -0.83868 40.7037 256.418 68.8564 # jumping subtree containing (T0187)K263 jump= -0.465331 0.266706 0.744787 0.397024 134.301 -277.669 395.712 # jumping subtree containing (T0187)K263 jump= -0.176027 -0.148583 0.669283 -0.706398 73.466 305.225 289.858 # jumping subtree containing (T0187)I287 jump= -0.968303 -0.191443 0.160422 0.00210924 93.132 120.968 10.2276 # jumping subtree containing (T0187)G339 jump= -0.550132 0.592039 -0.36297 -0.463786 82.1638 -321.846 351.472 # Removing break before 15 # jumping subtree containing (T0187)G310 jump= -0.269241 0.145465 0.951728 -0.0237146 208.756 -35.974 614.903 # jumping subtree containing (T0187)G310 jump= 0.17518 0.897861 -0.311124 -0.257605 211.869 55.9698 587.309 # jumping subtree containing (T0187)K263 jump= 0.412768 0.544764 -0.27231 0.677276 -117.027 324.541 253.377 # jumping subtree containing (T0187)I344 jump= 0.744649 -0.281389 -0.361902 0.485124 255.005 -60.6725 107.602 # jumping subtree containing (T0187)A336 jump= -0.997929 0.0525714 -0.0320388 -0.0186462 -39.3123 -16.0948 12.1079 # generation 182: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1940 ## OptSubtree 2279 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= 0.384243 -0.634056 -0.396251 -0.541586 -85.7221 -264.133 331.751 # jumping subtree containing (T0187)R299 jump= -0.897521 0.363252 0.0968367 0.230494 9.38672 -199.621 89.2494 # jumping subtree containing (T0187)K263 jump= 0.49684 0.355239 -0.785436 -0.100232 319.301 105.127 483.978 # jumping subtree containing (T0187)G221 jump= -0.900686 0.330384 -0.277923 0.0486756 -136.26 -165.056 119.951 # jumping subtree containing (T0187)G310 jump= -0.982099 0.0745504 -0.172624 0.011131 -132.612 -28.8571 25.0481 # jumping subtree containing (T0187)G310 jump= 0.169248 -0.26741 0.239934 0.917757 197.583 -163.816 99.9283 # jumping subtree containing (T0187)K263 jump= 0.978071 0.159355 0.0898097 -0.0995816 -25.0369 108.204 15.8196 # jumping subtree containing (T0187)K263 jump= 0.278079 -0.271731 -0.701476 0.597299 303.233 192.856 365.979 # jumping subtree containing (T0187)K263 jump= 0.999992 -0.00275235 0.0022309 0.00181202 -14.238 -3.15142 -16.1475 # jumping subtree containing (T0187)G221 jump= -0.626748 -0.325043 -0.463443 -0.535495 -274.526 -28.7575 176.93 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= -0.770407 0.0509511 0.416863 -0.47969 223.786 98.9659 107.405 # jumping subtree containing (T0187)G310 jump= -0.664282 -0.0927621 -0.597983 0.438794 -255.008 250.452 281.13 # jumping subtree containing (T0187)K263 jump= -0.331942 0.468231 0.312637 -0.756856 328.603 53.2744 205.672 # jumping subtree containing (T0187)G310 jump= -0.984873 -0.156614 -0.0335109 -0.0661454 -38.6469 121.11 9.10305 # jumping subtree containing (T0187)K263 jump= -0.929612 -0.0761214 -0.228433 0.279007 -106.863 92.788 58.3576 # generation 183: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1948 ## OptSubtree 2295 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.951792 0.00472262 -0.275128 -0.135551 -132.038 -44.8739 81.5577 # jumping subtree containing (T0187)K263 jump= 0.972886 -0.165929 0.160047 -0.0186079 -83.1358 -93.6049 36.0753 # jumping subtree containing (T0187)K295 jump= -0.383512 -0.314559 -0.867361 -0.0406913 -215.799 67.7995 539.087 # Removing break before 58 # jumping subtree containing (T0187)G221 jump= 0.894448 -0.237987 0.0746291 -0.371153 -144.411 -97.7132 54.1782 # jumping subtree containing (T0187)G310 jump= 0.698096 0.551361 0.354874 0.287623 -276.507 192.668 280.237 # jumping subtree containing (T0187)G310 jump= -0.185497 0.662715 -0.667572 0.284159 -145.109 63.3516 520.522 # jumping subtree containing (T0187)L345 jump= -0.905992 0.22441 0.261806 0.245514 105.203 -118.107 63.9101 # jumping subtree containing (T0187)L276 jump= 0.592538 -0.582782 -0.519438 -0.198615 164.104 -272.185 336.841 # jumping subtree containing (T0187)K263 jump= -0.842255 -0.016236 0.369838 -0.391872 248.353 89.737 92.3162 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.920922 -0.0674413 0.207864 0.322717 133.072 37.5336 18.5981 # generation 184: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1958 ## OptSubtree 2309 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # Removing break before 26 # jumping subtree containing (T0187)H246 jump= 0.607749 0.5658 0.33693 -0.443835 3.43329 347.196 297.041 # jumping subtree containing (T0187)K263 jump= 0.606652 0.125604 0.345075 -0.705068 -88.2191 298.861 122.875 # Removing break before 41 # Removing break before 86 # jumping subtree containing (T0187)G221 jump= 0.465236 0.352519 -0.685411 -0.435314 314.874 -106.172 385.805 # jumping subtree containing (T0187)A280 jump= 0.978318 -0.0841476 0.091328 0.16575 -34.834 -48.1359 6.03972 # jumping subtree containing (T0187)G310 jump= 0.605634 0.337929 -0.0891578 -0.714887 217.737 156.636 92.0232 # jumping subtree containing (T0187)K263 jump= 0.657734 0.0729858 -0.265975 0.700939 92.938 149.19 57.7138 # jumping subtree containing (T0187)G310 jump= 0.989983 -0.0807788 -0.107972 -0.0418268 57.3898 -39.5149 8.86009 # jumping subtree containing (T0187)G201 jump= -0.972239 -0.0890434 0.0930695 -0.195348 73.1717 60.3664 1.33354 # jumping subtree containing (T0187)G310 jump= -0.612152 0.545948 0.392159 -0.41644 324.542 -131.96 300.412 # jumping subtree containing (T0187)G310 jump= 0.629388 -0.345239 0.638176 -0.27823 -318.623 -9.82027 391.718 # generation 185: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1966 ## OptSubtree 2325 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.391473 0.0399061 0.788863 -0.472072 -208.998 319.81 464.129 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= -0.395513 0.248377 0.353879 0.810338 -48.1033 -222.114 105.566 # jumping subtree containing (T0187)G310 jump= 0.653743 -0.234657 0.71934 0.0102924 -294.751 -75.7554 430.864 # jumping subtree containing (T0187)P304 jump= 0.130496 -0.405944 -0.877044 -0.2213 37.5435 -170.031 632.908 # jumping subtree containing (T0187)I344 jump= -0.434042 0.508925 0.740592 -0.0642334 217.842 -104.33 570.712 # jumping subtree containing (T0187)G310 jump= -0.197155 -0.34542 0.0847397 -0.913583 -134.119 109.8 83.9611 # jumping subtree containing (T0187)G310 jump= -0.0794305 0.922503 0.37627 -0.0331605 12.4244 -35.7755 661.784 # jumping subtree containing (T0187)K259 jump= -0.63533 0.256589 0.322676 -0.652992 289.286 57.306 167.532 # jumping subtree containing (T0187)G310 jump= -0.189408 0.814788 0.164034 -0.522817 324.967 -6.60411 478.409 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= 0.772457 0.580449 -0.257617 0.00464065 155.916 305.429 255.222 # jumping subtree containing (T0187)G310 jump= -0.99771 -0.0399753 -0.0176466 -0.0516258 15.85 24.3056 -9.5701 # generation 186: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1973 ## OptSubtree 2342 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 86 # jumping subtree containing (T0187)G201 jump= 0.967269 -0.0908817 -0.168763 0.166284 109.025 -37.8416 33.7218 # jumping subtree containing (T0187)G310 jump= -0.573552 -0.516287 0.151068 0.61779 302.8 190.604 199.96 # jumping subtree containing (T0187)G310 jump= 0.245156 -0.24732 -0.73277 -0.584619 49.564 -292.137 362.695 # jumping subtree containing (T0187)K295 jump= -0.265011 0.210683 -0.589176 0.733658 -207.204 275.594 308.1 # jumping subtree containing (T0187)K263 jump= -0.990042 0.0125165 -0.133955 0.0414196 -99.8508 -1.25802 34.4625 # jumping subtree containing (T0187)G310 jump= -0.820835 -0.0247098 0.385593 0.42064 248.975 -79.4378 70.4509 # jumping subtree containing (T0187)G310 jump= -0.928281 0.137648 -0.335349 0.0829977 -188.737 -53.807 111.03 # jumping subtree containing (T0187)I271 jump= 0.982772 -0.00653363 -0.0629185 -0.173659 55.1016 -19.5054 1.53605 # jumping subtree containing (T0187)A262 jump= -0.998872 0.000983055 -0.0271867 0.0389236 -12.3528 13.2156 0.0186164 # jumping subtree containing (T0187)K263 jump= 0.847083 -0.474793 -0.168598 0.169108 165.772 -257.942 214.31 # generation 187: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1982 ## OptSubtree 2357 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)A334 jump= 0.280808 0.766457 0.385946 0.429809 -291.82 50.9251 483.887 # jumping subtree containing (T0187)G310 jump= -0.764378 0.0766559 -0.639068 -0.0379711 -286.41 -47.7783 321.314 # Removing break before 86 # Removing break before 15 # jumping subtree containing (T0187)G310 jump= -0.211278 0.353251 -0.829228 -0.378095 54.7046 -240.409 563.152 # jumping subtree containing (T0187)G310 jump= 0.172485 -0.530093 0.817423 -0.145157 -122.325 45.8722 649.03 # jumping subtree containing (T0187)N242 jump= -0.580674 -0.0774083 0.531893 0.611486 254.184 -168.503 174.706 # jumping subtree containing (T0187)T313 jump= 0.73348 -0.201523 -0.643498 -0.0854734 341.201 -151.843 274.034 # jumping subtree containing (T0187)P304 jump= 0.958481 0.106918 -0.111986 -0.239462 73.6298 66.3559 -11.5934 # generation 188: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1988 ## OptSubtree 2375 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)K263 jump= -0.70037 -0.384495 -0.499363 0.335085 -185.928 329.385 258.28 # jumping subtree containing (T0187)G310 jump= -0.210164 0.0740689 0.944962 0.239564 142.255 -158.436 597.314 # jumping subtree containing (T0187)P304 jump= -0.114794 0.817837 -0.261502 0.499582 -295.881 67.2078 464.738 # jumping subtree containing (T0187)G310 jump= -0.441503 0.266677 -0.823044 0.237816 -239.12 91.1999 511.323 # jumping subtree containing (T0187)A280 jump= 0.861901 -0.0167953 -0.196794 -0.467029 84.1251 -38.4908 6.10815 # jumping subtree containing (T0187)K263 jump= 0.789849 0.0534417 -0.121493 -0.598768 84.8644 12.2496 3.79663 # jumping subtree containing (T0187)L276 jump= -0.443407 -0.813461 0.283112 -0.248029 -26.9003 342.457 494.852 # jumping subtree containing (T0187)G323 jump= 0.965451 0.0540869 0.212754 0.140409 -156.212 7.75084 35.1674 # jumping subtree containing (T0187)G310 jump= -0.986331 0.0791892 -0.0459959 -0.136981 -11.6833 -50.61 -7.79623 # jumping subtree containing (T0187)G310 jump= 0.764147 -0.000134094 -0.64488 0.0144692 378.181 9.8604 270.74 # jumping subtree containing (T0187)S227 jump= -0.924099 0.21605 -0.264485 0.171497 -209.258 -84.1402 105.562 # jumping subtree containing (T0187)I287 jump= 0.732978 -0.489167 -0.289778 -0.373481 -13.0847 -288.898 213.427 # jumping subtree containing (T0187)G310 jump= -0.999117 -0.0130438 -0.021209 0.0338349 -42.9962 10.4713 -7.18421 # generation 189: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 1997 ## OptSubtree 2390 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # Removing break before 26 # Removing break before 86 # jumping subtree containing (T0187)P304 jump= -0.891554 0.371415 0.254344 0.0499127 136.563 -232.57 146.52 # jumping subtree containing (T0187)K263 jump= 0.546632 -0.328704 -0.69585 0.330061 344.012 60.5503 447.07 # jumping subtree containing (T0187)K263 jump= -0.992783 0.028835 -0.0844719 0.0800915 -44.2742 -28.0905 18.0885 # Removing break before 15 # jumping subtree containing (T0187)Y220 jump= -0.0388966 0.203847 0.415689 0.885515 -86.4231 -207.241 102.976 # jumping subtree containing (T0187)L276 jump= -0.253892 -0.545178 -0.794312 0.0859535 -157.878 164.335 650.159 # jumping subtree containing (T0187)G310 jump= -0.952354 -0.163981 0.156547 0.204022 128.961 109.419 6.71746 # jumping subtree containing (T0187)K263 jump= 0.999571 0.00709759 -0.00211452 -0.0283483 -9.25882 23.7623 -17.9418 # jumping subtree containing (T0187)G221 jump= 0.993889 -0.0775997 -0.0779865 0.00896562 46.7997 -59.9232 36.9546 # jumping subtree containing (T0187)R299 jump= 0.256348 -0.79645 0.400467 0.373603 160.827 -192.032 549.266 # jumping subtree containing (T0187)G339 jump= 0.961263 -0.13838 0.208366 -0.115793 -158.214 -65.1319 38.2981 # generation 190: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 2003 ## OptSubtree 2408 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G339 jump= -0.991973 0.0969524 -0.0447962 0.0676982 -43.7651 -75.9222 9.9456 # jumping subtree containing (T0187)L276 jump= -0.216174 0.532106 -0.817905 -0.0341126 -67.4735 -70.5854 651.002 # jumping subtree containing (T0187)G310 jump= 0.999725 0.0165885 -0.00382365 0.0161388 -13.9572 4.12651 -18.5204 # jumping subtree containing (T0187)G310 jump= -0.143645 0.753652 0.299921 -0.566941 319.321 59.4536 502.026 # jumping subtree containing (T0187)G310 jump= -0.974974 -0.0862317 -0.202144 -0.0335738 -138.714 24.5121 34.9199 # jumping subtree containing (T0187)G310 jump= -0.403957 -0.131151 0.564659 0.707657 278.132 -189.815 196.921 # jumping subtree containing (T0187)G310 jump= -0.975086 0.0945884 -0.16361 0.116154 -125.545 -26.9857 29.6588 # jumping subtree containing (T0187)N242 jump= -0.927908 -0.343642 -0.00394459 -0.144503 -45.0856 233.729 53.1104 # jumping subtree containing (T0187)V216 jump= -0.419854 0.15931 -0.367151 0.814581 -160.511 206.989 125.912 # jumping subtree containing (T0187)N242 jump= 0.656785 -0.307566 -0.687247 0.0415708 311.866 -132.556 395.974 # generation 191: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 2010 ## OptSubtree 2425 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G201 jump= 0.677363 0.353447 0.0985361 0.637609 -169.64 126.705 69.6383 # jumping subtree containing (T0187)E328 jump= 0.864442 -0.258197 -0.0271977 0.430505 96.6841 -134.875 49.9342 # jumping subtree containing (T0187)N242 jump= 0.987426 0.0985007 -0.122956 -0.0129904 93.624 53.9492 -16.3826 # jumping subtree containing (T0187)L276 jump= 0.934858 0.066509 -0.231956 -0.260412 127.4 21.677 28.1541 # jumping subtree containing (T0187)K263 jump= 0.830934 -0.244393 0.336514 0.369567 -79.6656 -223.561 137.607 # jumping subtree containing (T0187)G310 jump= 0.823653 -0.075991 -0.523369 -0.204712 278.305 -92.574 150.628 # jumping subtree containing (T0187)A336 jump= -0.883902 0.215871 0.217279 -0.353422 218.188 -78.0098 93.6854 # jumping subtree containing (T0187)G201 jump= 0.733666 -0.507453 -0.353141 0.281989 275.826 -149.95 266.781 # generation 192: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 2020 ## OptSubtree 2439 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)S241 jump= 0.943383 0.0697901 -0.322731 0.0316665 202.518 64.6686 80.7036 # Removing break before 86 # jumping subtree containing (T0187)G310 jump= -0.944262 -0.0388711 -0.154213 -0.288229 -79.4816 -37.1355 33.8302 # jumping subtree containing (T0187)K263 jump= 0.933406 0.215865 -0.0536969 -0.281553 68.3471 162.854 19.1169 # jumping subtree containing (T0187)K263 jump= 0.224592 -0.71164 -0.493263 -0.447011 -146.288 -214.257 498.873 # jumping subtree containing (T0187)G310 jump= -0.605455 -0.67783 0.279913 0.309222 275.997 241.869 338.461 # jumping subtree containing (T0187)L214 jump= 0.0782123 0.896361 0.0897192 0.427049 -260.741 49.4389 510.214 # jumping subtree containing (T0187)G310 jump= -0.764501 -0.400695 -0.30442 0.402877 -70.2914 313.31 175.489 # jumping subtree containing (T0187)K263 jump= 0.441764 0.891676 0.098703 -0.00405219 -57.3728 337.055 546.094 # Removing break before 15 # jumping subtree containing (T0187)A334 jump= -0.987145 0.111186 0.113066 0.0199834 70.8569 -45.2444 23.0986 # jumping subtree containing (T0187)K295 jump= 0.924415 -0.128138 0.080103 0.350173 3.01152 -80.8501 26.8556 # Removing break before 41 # jumping subtree containing (T0187)G310 jump= -0.347667 0.0287376 0.841808 -0.4119 228.007 236.449 477.39 # jumping subtree containing (T0187)Q234 jump= 0.973954 -0.0371308 0.109205 0.195217 -63.8695 -50.703 33.1531 # jumping subtree containing (T0187)G310 jump= 0.562156 0.218225 -0.0272971 0.797254 -65.8756 95.7571 -8.0997 # generation 193: best score out of 40: T0187.try1-al10-scwrl 69.5452 cost/residue, 318 clashes 0.152687 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 2026 ## OptSubtree 2457 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.315785 0.909286 0.186021 -0.197166 170.791 -132.302 620.573 # jumping subtree containing (T0187)G310 jump= 0.795202 -0.100896 -0.579469 0.147271 355.953 2.86854 210.624 # jumping subtree containing (T0187)K263 jump= -0.624512 0.499622 0.205366 0.564081 -140.131 -221.629 191.591 # Removing break before 86 # jumping subtree containing (T0187)P304 jump= 0.915247 0.33384 -0.225463 -0.00632528 130.907 185.305 79.0902 # jumping subtree containing (T0187)G221 jump= 0.254522 -0.819003 0.468508 -0.212019 -160.409 -5.95481 598.943 # jumping subtree containing (T0187)K263 jump= -0.983611 -0.141535 -0.0820978 0.0757433 -58.2576 129.575 4.86004 # jumping subtree containing (T0187)G310 jump= -0.567861 -0.624812 -0.191748 0.500376 112.834 340.014 286.492 # jumping subtree containing (T0187)A336 jump= -0.261084 0.226353 0.106734 -0.932313 165.206 60.8286 63.9314 # generation 194: best score out of 40: T0187.try1-al10-scwrl 69.545 cost/residue, 318 clashes 0.152688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 2034 ## OptSubtree 2473 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.745052 0.485305 -0.343028 0.302834 -265.587 -157.231 252.171 # jumping subtree containing (T0187)F296 jump= 0.756235 0.580663 -0.0575325 -0.296022 99.5983 301.696 193.482 # jumping subtree containing (T0187)P304 jump= 0.283241 -0.314958 -0.0641966 -0.903579 -166.846 -82.5507 83.0448 # jumping subtree containing (T0187)K263 jump= 0.935443 -0.0615863 0.316416 0.145035 -174.852 -77.6132 84.496 # jumping subtree containing (T0187)G339 jump= -0.769394 0.617443 0.0885383 0.137688 -36.2101 -302.94 267.438 # jumping subtree containing (T0187)G310 jump= 0.222607 -0.559528 0.473868 -0.642513 -292.729 176.452 383.322 # Removing break before 15 # Removing break before 26 # generation 195: best score out of 40: T0187.try1-al10-scwrl 69.545 cost/residue, 318 clashes 0.152688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 2040 ## OptSubtree 2491 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)I344 jump= 0.428209 0.121773 -0.869152 0.215368 239.216 149.924 515.815 # Removing break before 41 # jumping subtree containing (T0187)G221 jump= 0.986623 -0.0422854 0.0183656 0.156363 -0.195628 -24.3217 14.9444 # jumping subtree containing (T0187)G310 jump= 0.670638 -0.60278 -0.424625 -0.0812067 151.531 -287.785 371.891 # jumping subtree containing (T0187)K263 jump= -0.843311 -0.338063 0.254653 -0.331197 122.342 279.667 94.9142 # jumping subtree containing (T0187)I287 jump= 0.980801 0.0176398 0.112984 -0.157968 -71.7262 29.7198 18.2013 # jumping subtree containing (T0187)G310 jump= -0.63861 0.135049 -0.756645 -0.0377896 -273.828 -63.9848 419.498 # Removing break before 26 # jumping subtree containing (T0187)I245 jump= -0.878109 -0.283564 -0.164059 0.348714 -82.8588 212.824 60.9764 # jumping subtree containing (T0187)K295 jump= 0.174164 -0.740401 0.640136 0.10816 23.2751 -109.319 654.408 # jumping subtree containing (T0187)G221 jump= 0.732931 -0.589418 -0.279129 -0.193612 49.1928 -286.865 314.392 # generation 196: best score out of 40: T0187.try1-al10-scwrl 69.545 cost/residue, 318 clashes 0.152688 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 188 ## JiggleSubtree 2045 ## OptSubtree 2510 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.992744 0.0810591 -0.0626657 -0.0629356 54.5163 35.1412 10.3761 # jumping subtree containing (T0187)P304 jump= -0.78011 -0.584258 -0.00611359 -0.223684 -108.394 300.806 205.558 # jumping subtree containing (T0187)L301 jump= 0.0296252 0.297259 0.567581 0.76721 -167.045 -275.423 243.099 # jumping subtree containing (T0187)E235 jump= -0.974641 0.0379387 -0.208237 -0.0726152 -139.203 -46.4551 12.3546 # Removing break before 41 # jumping subtree containing (T0187)G339 jump= -0.508166 0.734487 -0.105052 -0.437334 199.423 -246.74 380.483 # jumping subtree containing (T0187)K238 jump= -0.532023 0.485715 -0.594236 0.357654 -341.401 -31.0328 419.557 # Removing break before 15 # jumping subtree containing (T0187)K263 jump= 0.955507 0.153374 -0.0207205 0.251104 3.98144 99.2207 -6.44931 # Removing break before 86 # jumping subtree containing (T0187)K263 jump= 0.986676 -0.00142036 -0.0206928 0.16137 29.1204 3.5619 -20.1143 # generation 197: best score out of 40: T0187.try1-al10-scwrl 69.3809 cost/residue, 314 clashes 0.155699 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 189 ## JiggleSubtree 2049 ## OptSubtree 2529 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.959892 0.0743473 -0.167948 -0.211835 113.719 30.2264 26.7732 # jumping subtree containing (T0187)I287 jump= -0.182333 -0.379023 -0.469257 -0.776462 -250.215 -128.558 220.822 # jumping subtree containing (T0187)F296 jump= -0.440175 -0.420972 -0.0777511 0.789293 194.515 248.68 136.865 # jumping subtree containing (T0187)K263 jump= -0.451455 0.421778 0.784567 0.052401 212.679 -151.913 572.776 # jumping subtree containing (T0187)I272 jump= -0.103199 -0.870163 -0.480759 0.0322035 -28.9248 144.137 692.608 # jumping subtree containing (T0187)K263 jump= 0.917269 -0.131793 0.0706871 -0.369123 -100.563 -48.7751 34.1793 # jumping subtree containing (T0187)I272 jump= -0.618985 0.090165 -0.24936 0.739288 -183.941 163.096 64.4551 # jumping subtree containing (T0187)G310 jump= 0.604437 -0.279823 -0.51742 0.537243 352.681 81.3187 255.097 # jumping subtree containing (T0187)G311 jump= -0.792043 -0.259166 -0.034382 -0.55165 -97.1163 148.244 45.0139 # Removing break before 86 # jumping subtree containing (T0187)L276 jump= 0.271819 -0.583844 0.0704995 -0.761754 -342.487 12.05 274.83 # generation 198: best score out of 40: T0187.try1-al10-scwrl 69.3809 cost/residue, 314 clashes 0.155699 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 189 ## JiggleSubtree 2057 ## OptSubtree 2545 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= 0.69555 0.463005 -0.282019 0.471489 27.0275 329.266 172.769 # jumping subtree containing (T0187)K263 jump= -0.966718 0.22806 -0.11361 0.0231647 -82.8281 -142.064 47.9028 # jumping subtree containing (T0187)G310 jump= -0.271147 -0.108104 -0.181488 0.939071 63.7582 161.821 43.1759 # jumping subtree containing (T0187)G310 jump= 0.244134 -0.244049 -0.89844 -0.271377 117.112 -203.472 561.991 # jumping subtree containing (T0187)L276 jump= -0.69299 -0.382062 0.371972 -0.485212 88.1842 320.449 173.165 # jumping subtree containing (T0187)A336 jump= 0.404274 -0.636312 0.303969 -0.582471 -314.338 -12.8721 332.787 # jumping subtree containing (T0187)A334 jump= -0.999111 -0.0264317 0.0154501 0.0289794 18.3605 6.98221 -0.752928 # generation 199: best score out of 40: T0187.try1-al10-scwrl 69.3806 cost/residue, 314 clashes 0.155699 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 189 ## JiggleSubtree 2072 ## OptSubtree 2564 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # jumping subtree containing (T0187)G310 jump= -0.0203327 0.678269 0.307925 -0.666873 320.618 235.145 431.9 # Removing break before 86 # Removing break before 26 # jumping subtree containing (T0187)K263 jump= 0.747825 0.0145293 0.550376 -0.370989 -277.287 179.686 209.506 # jumping subtree containing (T0187)G310 jump= -0.989262 0.0120551 -0.134047 0.0569898 -113.474 -14.1701 33.4682 # jumping subtree containing (T0187)G201 jump= -0.845194 -0.328807 0.26838 -0.324817 89.3327 233.1 89.8289 # jumping subtree containing (T0187)G310 jump= 0.835336 -0.332947 0.0140205 -0.437223 -97.7504 -188.9 74.0938 # generation 200: best score out of 40: T0187.try1-al10-scwrl 69.38 cost/residue, 314 clashes 0.1557 breaks # Cumulative usage by method: ## InsertAlignment 1 ## InsertSpecificFragment 30 ## InsertFragment 62 ## TwoFragment 18 ## CrossOver 31 ## CrossAndInsert 26 ## ReduceClash 76 ## OneRotamer 0 ## ClashingRotamer 8 ## ReduceBreak 7 ## CloseGap 189 ## JiggleSubtree 2084 ## OptSubtree 2576 ## ReduceConstraint 0 ## InsertSSBond 0 ## ImproveSSBond 0 # command:# naming current conformation T0187.try1-opt # command:# command:# request to SCWRL produces command: scwrl -i /projects/compbio/tmp/to_scwrl_417196666.pdb -s /projects/compbio/tmp/to_scwrl_417196666.seq -o /projects/compbio/tmp/from_scwrl_417196666.pdb -a /projects/compbio/tmp/from_scwrl_417196666_a.pdb -b /projects/compbio/tmp/from_scwrl_417196666_b.pdb > /projects/compbio/tmp/scwrl_417196666.log # conformation set from SCWRL output # command:# naming current conformation T0187.try1-opt-scwrl # command:# command:# CostConform T0187.try1-opt-scwrl costs 69.8424 T0187.try1-opt costs 69.3874 T0187.try1 costs 83.3594 T0187.try1-al10 costs 83.3594 T0187.try1-al10 costs 83.3594 T0187.try1-al8+T0187-1jmxA-simpleSW-adpstyle1.pw.a2m.gz:1jmxA costs 83.3594 T0187.try1-al8 costs 85.4151 T0187.try1-al6+1akr-T0187-vit-adpstyle1.pw.a2m.gz:1akr costs 85.4151 T0187.try1-al6 costs 86.3276 T0187.try1-al4+1i58A-T0187-local-adpstyle1.pw.a2m.gz:1i58A costs 86.3276 T0187.try1-al4 costs 86.9814 T0187.try1-al2+1i58A-T0187-vit-adpstyle1.pw.a2m.gz:1i58A costs 86.9814 T0187.try1-al2 costs 89.5116 T0187.rand+1fukA-T0187-local-adpstyle5.pw.a2m.gz:1fukA costs 90.123 T0187.rand costs 100.926 # command:CPU_time= 2.30103e+06 msec, elapsed time= 1.11415e+07 msec) # command: