# command:# Prefix for input files set to /projects/compbio/experiments/undertaker/atoms-inputs/ # command:# reading dunbrack-2191.atoms # #computed average backbone with maximum peptide_sq_deviance = 0.002 # computed average trans backbone unit from 53157 examples # computed average trans backbone unit before proline from 2010 examples # computed average cis backbone unit from 97 examples # trans (non-proline) backbone unit: # CA= -2.2087 1.0126 -0.0030 # O= -0.1499 2.2440 0.0016 # C= -0.6889 1.1368 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4581 -0.0000 0.0000 # cis backbone unit: # CA= -0.1436 2.4534 -0.0002 # O= -2.0284 0.9742 0.0015 # C= -0.8018 1.0771 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4668 0.0000 0.0000 # trans backbone unit before proline: # CA= -2.2100 1.0631 -0.0014 # O= -0.1236 2.2458 0.0075 # C= -0.6872 1.1517 -0.0000 # N+1= 0.0000 0.0000 0.0000 # CA+1= 1.4660 0.0000 0.0000 # After reading dunbrack-2191.atoms have 2191 chains in training database # Count of chains,residues,atoms: 2191,500310,3902258 # 493341 residues have no bad marker # 3226 residues lack atoms needed to compute omega # 1453 residues have cis peptide # number of each bad type: # NON_STANDARD_RESIDUE 4 # HAS_OXT 1167 # TOO_MANY_ATOMS 1 # TOO_FEW_ATOMS 3052 # HAS_UNKNOWN_ATOMS 9 # HAS_DUPLICATE_ATOMS 0 # CHAIN_BREAK_BEFORE 979 # NON_PLANAR_PEPTIDE 888 # BAD_PEPTIDE 2680 # Note: may sum to more than number of residues, # because one residue may have multiple problems # command:# Reading rotamer library from dunbrack-2191.rot # command:# Prefix for input files set to /projects/compbio/experiments/undertaker/spots/ # command:# ReadAtomType exp-pdb.types Read AtomType exp-pdb with 49 types. # command:# ReadClashTable exp-pdb-2191-2symm.clash # Read ClashTable exp-pdb-2191-2symm checking bonds symmetric at MaxSep 2 # command:# command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0369/ # command:# Making conformation for sequence T0369 numbered 1 through 148 Created new target T0369 from T0369.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0369/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0369//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0369/manyalignments-good-all.under or /projects/compbio/experiments/protein-predict/casp7/T0369//projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0369/manyalignments-good-all.under.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0369/manyalignments-good-all.under # reading script from file /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0369/manyalignments-good-all.under # Reading fragments from alignment file # Attempting to read fragment alignments from file 1o5zA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1o5zA expands to /projects/compbio/data/pdb/1o5z.pdb.gz 1o5zA:# T0369 read from 1o5zA/merged-good-all-a2m # 1o5zA read from 1o5zA/merged-good-all-a2m # adding 1o5zA to template set # found chain 1o5zA in template set T0369 5 :QQALDRHVGVGVRTTRDLIR 1o5zA 93 :EEDVVKIYETMEPILNELDK # choosing archetypes in rotamer library T0369 36 :ISGKRSVYEVAVHLAVLLEA 1o5zA 114 :EIFSPSFFEVVTAMAFLYFA T0369 61 :TGAT 1o5zA 135 :KNVD T0369 80 :QLVDRLDQSWQYYQ 1o5zA 203 :EALKVMEDVARKKS T0369 103 :ETTYWG 1o5zA 218 :RMYVID T0369 122 :VHLYHHRSQLLDYLNLLGYDIK 1o5zA 258 :PHQIENAGVALKTLEATGLPLS Number of specific fragments extracted= 6 number of extra gaps= 0 total=6 Number of alignments=1 # 1o5zA read from 1o5zA/merged-good-all-a2m # found chain 1o5zA in template set Warning: unaligning (T0369)A63 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1o5zA)Y176 T0369 5 :QQALDRHVGVGVRTTRDL 1o5zA 93 :EEDVVKIYETMEPILNEL T0369 24 :R 1o5zA 112 :K T0369 35 :PISGKRSVYEVAVHLAV 1o5zA 113 :EEIFSPSFFEVVTAMAF T0369 54 :EADLRI 1o5zA 130 :LYFAEK T0369 64 :TADEMAQF 1o5zA 177 :TIEQIAWE T0369 73 :AVP 1o5zA 191 :ERV T0369 77 :LPEQLVDRLDQSWQYYQ 1o5zA 200 :RKREALKVMEDVARKKS T0369 97 :MADF 1o5zA 223 :DKDF T0369 101 :STETTYWGVTDS 1o5zA 245 :ENTFEDLVLTMN T0369 122 :VHLYHHRSQLLDYLNLLGYDIK 1o5zA 258 :PHQIENAGVALKTLEATGLPLS Number of specific fragments extracted= 10 number of extra gaps= 0 total=16 Number of alignments=2 # 1o5zA read from 1o5zA/merged-good-all-a2m # found chain 1o5zA in template set Warning: unaligning (T0369)H11 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1o5zA)V19 T0369 2 :TDWQQALDR 1o5zA 4 :LEVLRYLYH T0369 16 :VRTTRDLIRLIQPEDWDKRP 1o5zA 23 :LERISMLLSKLGNPHLEYKT T0369 39 :KRSVYEVAVHLAVLLEAD 1o5zA 48 :TNGKGSVANMVSNILVSQ T0369 65 :ADEMAQF 1o5zA 74 :SPHLSTF T0369 82 :VDRLDQSWQYYQDRLMADFSTET 1o5zA 93 :EEDVVKIYETMEPILNELDKEEI T0369 109 :VTDSTTGWLLE 1o5zA 116 :FSPSFFEVVTA T0369 130 :QLLDYLNLLGYD 1o5zA 127 :MAFLYFAEKNVD Number of specific fragments extracted= 7 number of extra gaps= 0 total=23 Number of alignments=3 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1rxqA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0369 read from 1rxqA/merged-good-all-a2m # 1rxqA read from 1rxqA/merged-good-all-a2m # found chain 1rxqA in training set Warning: unaligning (T0369)D141 because last residue in template chain is (1rxqA)S178 T0369 3 :DWQQALDRHVGVGVRTTRDLIRLIQPEDWDKRPISGKRSVYEVAVHLAVLLEADLRIAT 1rxqA 22 :EQKDKWIQVLEEVPAKLKQAVEVMTDSQLDTPYRDGGWTVRQVVHHLADSHMNSYIRFK T0369 68 :MAQFYAVPV 1rxqA 84 :TEETPAIRP T0369 77 :LPE 1rxqA 94 :DEK T0369 80 :QLVDRLDQSWQYYQDRLMADFSTETTYWGVTD 1rxqA 115 :LLQELHGRWTALLRTLTDQQFKRGFYHPDTKE T0369 112 :STTGWLLEAAVHLYHHRSQLLDYLNLLGY 1rxqA 149 :TLENALGLYVWHSHHHIAHITELSRRMGW Number of specific fragments extracted= 5 number of extra gaps= 0 total=28 Number of alignments=4 # 1rxqA read from 1rxqA/merged-good-all-a2m # found chain 1rxqA in training set Warning: unaligning (T0369)D141 because last residue in template chain is (1rxqA)S178 T0369 4 :WQQALDRHVGVGVRTTRDLIRLIQPEDWDKRPISGKRSVYEVAVHLAVLLEADLRI 1rxqA 23 :QKDKWIQVLEEVPAKLKQAVEVMTDSQLDTPYRDGGWTVRQVVHHLADSHMNSYIR T0369 60 :ATGATADEMA 1rxqA 90 :IRPYDEKAWS T0369 70 :QFYAVPVLPEQLVDRLDQSWQYYQDRLMADFSTETTYWGVTD 1rxqA 105 :KTADPSGSLALLQELHGRWTALLRTLTDQQFKRGFYHPDTKE T0369 112 :STTGWLLEAAVHLYHHRSQLLDYLNLLGY 1rxqA 149 :TLENALGLYVWHSHHHIAHITELSRRMGW Number of specific fragments extracted= 4 number of extra gaps= 0 total=32 Number of alignments=5 # 1rxqA read from 1rxqA/merged-good-all-a2m # found chain 1rxqA in training set Warning: unaligning (T0369)D141 because last residue in template chain is (1rxqA)S178 T0369 2 :TDWQQALDRHVGVGVRTTRDLIRLIQPEDWDKRPISGKRSVYEVAVHLAVLLEADLRIATGATADEMAQF 1rxqA 21 :KEQKDKWIQVLEEVPAKLKQAVEVMTDSQLDTPYRDGGWTVRQVVHHLADSHMNSYIRFKLSLTEETPAI T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRLMADFSTE 1rxqA 108 :DPSGSLALLQELHGRWTALLRTLTDQQFKRG T0369 104 :TTYWGVTDSTTGWLLEAAVHLYHHRSQLLDYLNLLGY 1rxqA 141 :HPDTKEIITLENALGLYVWHSHHHIAHITELSRRMGW Number of specific fragments extracted= 3 number of extra gaps= 0 total=35 Number of alignments=6 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ovlA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ovlA expands to /projects/compbio/data/pdb/1ovl.pdb.gz 1ovlA:Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M # T0369 read from 1ovlA/merged-good-all-a2m # 1ovlA read from 1ovlA/merged-good-all-a2m # adding 1ovlA to template set # found chain 1ovlA in template set T0369 3 :DWQQALDRHVGVGVRTTRDLIRLI 1ovlA 401 :QHIQQFYDLLTGSMEIIRGWAEKI T0369 27 :QPEDWD 1ovlA 431 :PKADQD T0369 41 :SVYEVAVHLAVLLEA 1ovlA 437 :LLFESAFLELFVLRL T0369 56 :DLRIATGATADEMA 1ovlA 489 :FSSNLQNMNIDISA T0369 71 :FYAVPV 1ovlA 512 :VTERHG T0369 77 :LPEQL 1ovlA 520 :EPKRV T0369 86 :DQSWQYYQDRLMADFSTETTYWGVTDSTTGW 1ovlA 525 :EELQNKIVNCLKDHVTFNNGGLNRPNYLSKL T0369 117 :LLEAAVHLY 1ovlA 562 :LRTLCTQGL T0369 130 :QLLDYLNLLG 1ovlA 571 :QRIFYLKLED T0369 140 :YDIK 1ovlA 582 :VPPP Number of specific fragments extracted= 10 number of extra gaps= 0 total=45 Number of alignments=7 # 1ovlA read from 1ovlA/merged-good-all-a2m # found chain 1ovlA in template set T0369 3 :DWQQALDRHVGVGVRTTRDLIRL 1ovlA 401 :QHIQQFYDLLTGSMEIIRGWAEK T0369 26 :IQPEDWD 1ovlA 430 :LPKADQD T0369 41 :SVYEVAVHLAVLLEADLRI 1ovlA 437 :LLFESAFLELFVLRLAYRS T0369 60 :ATGATADEMA 1ovlA 493 :LQNMNIDISA T0369 70 :QFYAVPVLPEQLVDRLDQSWQYYQDRLM 1ovlA 513 :TERHGLKEPKRVEELQNKIVNCLKDHVT T0369 98 :ADFST 1ovlA 542 :NNGGL T0369 108 :GVTD 1ovlA 547 :NRPN T0369 112 :STTGWLLEAAVHLYH 1ovlA 557 :GKLPELRTLCTQGLQ T0369 130 :QLLDYLNLLGYDIK 1ovlA 572 :RIFYLKLEDLVPPP Number of specific fragments extracted= 9 number of extra gaps= 0 total=54 Number of alignments=8 # 1ovlA read from 1ovlA/merged-good-all-a2m # found chain 1ovlA in template set T0369 2 :TDWQQALDRHVGVGVRTTRDLIRLIQP 1ovlA 400 :TQHIQQFYDLLTGSMEIIRGWAEKIPG T0369 31 :WDKRPISGKRSVYEVAVHLAVLLEADL 1ovlA 427 :FADLPKADQDLLFESAFLELFVLRLAY T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRLMADF 1ovlA 516 :HGLKEPKRVEELQNKIVNCLKDHVTFNN T0369 105 :TYWGVTDSTTGWLL 1ovlA 544 :GGLNRPNYLSKLLG T0369 119 :EAAVHLYHHRSQLLDYLNLLGYDIK 1ovlA 561 :ELRTLCTQGLQRIFYLKLEDLVPPP Number of specific fragments extracted= 5 number of extra gaps= 0 total=59 Number of alignments=9 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ezfA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1ezfA expands to /projects/compbio/data/pdb/1ezf.pdb.gz 1ezfA:# T0369 read from 1ezfA/merged-good-all-a2m # 1ezfA read from 1ezfA/merged-good-all-a2m # adding 1ezfA to template set # found chain 1ezfA in template set Warning: unaligning (T0369)D3 because first residue in template chain is (1ezfA)N38 T0369 4 :WQQALDRHVGVG 1ezfA 39 :SLKTCYKYLNQT T0369 19 :TRDLIRLIQ 1ezfA 54 :FAAVIQALD T0369 37 :SG 1ezfA 63 :GE T0369 42 :VYEVAVHLAVLLEADLRIAT 1ezfA 65 :MRNAVCIFYLVLRALDTLED T0369 62 :GATA 1ezfA 87 :TISV T0369 66 :DEMAQFYAVPVLPE 1ezfA 95 :PLLHNFHSFLYQPD T0369 80 :QLVDRLDQSWQYYQDRLMADFSTETTYWG 1ezfA 138 :KYQTVIADICRRMGIGMAEFLDKHVTSEQ T0369 109 :VTD 1ezfA 248 :KPE T0369 112 :STTGWLLEAAVHLYHHRSQLLDYLNL 1ezfA 254 :LAVQCLNELITNALHHIPDVITYLSR Number of specific fragments extracted= 9 number of extra gaps= 0 total=68 Number of alignments=10 # 1ezfA read from 1ezfA/merged-good-all-a2m # found chain 1ezfA in template set T0369 3 :DWQQALDRHVGVGVRTTRDLIRL 1ezfA 138 :KYQTVIADICRRMGIGMAEFLDK T0369 26 :IQ 1ezfA 162 :VT T0369 28 :PEDWD 1ezfA 165 :EQEWD T0369 40 :RSVYEVAVHLAVLLEADLRIATGATADEMA 1ezfA 170 :KYCHYVAGLVGIGLSRLFSASEFEDPLVGE T0369 77 :LPEQL 1ezfA 200 :DTERA T0369 83 :DRLDQSWQYYQD 1ezfA 215 :NIIRDYLEDQQG T0369 95 :RLMADFSTETTYWG 1ezfA 231 :WPQEVWSRYVKKLG T0369 109 :VTD 1ezfA 248 :KPE T0369 112 :ST 1ezfA 253 :DL T0369 114 :TGWLLEAAVHLYHHRSQLLDYLN 1ezfA 256 :VQCLNELITNALHHIPDVITYLS Number of specific fragments extracted= 10 number of extra gaps= 0 total=78 Number of alignments=11 # 1ezfA read from 1ezfA/merged-good-all-a2m # found chain 1ezfA in template set T0369 2 :TDWQQALDRHVGVGVRTTRDLIRL 1ezfA 137 :EKYQTVIADICRRMGIGMAEFLDK T0369 35 :PISGKRSVYEVAVHLAVLLEADL 1ezfA 161 :HVTSEQEWDKYCHYVAGLVGIGL T0369 58 :RIAT 1ezfA 185 :RLFS T0369 68 :MAQFYAVP 1ezfA 189 :ASEFEDPL T0369 76 :VLPEQLV 1ezfA 199 :EDTERAN T0369 83 :DRLDQSWQYYQ 1ezfA 215 :NIIRDYLEDQQ T0369 101 :STE 1ezfA 226 :GGR T0369 106 :YWGVTDSTTGWLLEAAVHLYHHRSQLLDYLNLL 1ezfA 248 :KPENIDLAVQCLNELITNALHHIPDVITYLSRL Number of specific fragments extracted= 8 number of extra gaps= 0 total=86 Number of alignments=12 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2f22A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2f22A expands to /projects/compbio/data/pdb/2f22.pdb.gz 2f22A:Skipped atom 2, because occupancy 0.5 <= existing 0.500 in 2f22A Skipped atom 4, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 6, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 8, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 11, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 15, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 17, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 19, because occupancy 0.350 <= existing 0.400 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 21, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 96, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 98, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 102, because occupancy 0.330 <= existing 0.340 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 107, because occupancy 0.330 <= existing 0.340 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 110, because occupancy 0.330 <= existing 0.340 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 112, because occupancy 0.250 <= existing 0.250 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 113, because occupancy 0.250 <= existing 0.250 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 116, because occupancy 0.330 <= existing 0.340 in 2f22A Skipped atom 161, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 165, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 167, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 169, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 171, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 173, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 176, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 180, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 182, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 184, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 186, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 211, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 215, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 217, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 219, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 221, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 223, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 483, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 487, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 489, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 491, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 493, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 495, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 634, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 638, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 640, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 642, because occupancy 0.400 <= existing 0.600 in 2f22A Skipped atom 644, because occupancy 0.400 <= existing 0.600 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 864, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 866, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 868, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 870, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 881, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 885, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 887, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 889, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 891, because occupancy 0.500 <= existing 0.500 in 2f22A Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1083, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1087, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1089, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1091, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1105, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1109, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1111, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1149, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1153, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1155, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1157, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1159, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1161, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1164, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1168, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1170, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1172, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1174, because occupancy 0.500 <= existing 0.500 in 2f22A Skipped atom 1176, because occupancy 0.500 <= existing 0.500 in 2f22A # T0369 read from 2f22A/merged-good-all-a2m # 2f22A read from 2f22A/merged-good-all-a2m # adding 2f22A to template set # found chain 2f22A in template set T0369 12 :VGVGVRTTRDLIRLIQPEDWDKRPISGKRSVYEVAVHLAVLLEADLRIATGATADEMAQFYAVPVLP 2f22A 6 :VLYAANMTNALAKEIPESKWDIQLIPELGTLRKLFIHIVRVRDVYRDGLKTGSIKFPGRLASDEHRL T0369 82 :VDRLDQSWQYYQDRLMA 2f22A 73 :LDELERSMEELVFEFKQ T0369 106 :YWG 2f22A 91 :TFN T0369 109 :VTDSTTGWLLEAAVHLYHHRSQLLDYLNLLGYDIK 2f22A 100 :NYLSIMELLGTVIQHEGIHQGQYYVALKQSGINLP Number of specific fragments extracted= 4 number of extra gaps= 0 total=90 Number of alignments=13 # 2f22A read from 2f22A/merged-good-all-a2m # found chain 2f22A in template set T0369 12 :VGVGVRTTRDLIRLIQPEDWDKRPISGKRSVYEVAVHLAVLLEADLRIATGATADEMA 2f22A 6 :VLYAANMTNALAKEIPESKWDIQLIPELGTLRKLFIHIVRVRDVYRDGLKTGSIKFPG T0369 70 :QFYAVPVLPEQLVDRLDQSWQYYQDRL 2f22A 65 :LASDEHRLLDELERSMEELVFEFKQTT T0369 101 :STETTYWGVTDSTTGWLLEAAVHLYHHRSQLLDYLNLLGYDIK 2f22A 92 :FNSIKMGENYLSIMELLGTVIQHEGIHQGQYYVALKQSGINLP Number of specific fragments extracted= 3 number of extra gaps= 0 total=93 Number of alignments=14 # 2f22A read from 2f22A/merged-good-all-a2m # found chain 2f22A in template set T0369 11 :HVGVGVRTTRDLIRLIQPEDWDKRPISGKRSVYEVAVHLAVLLEADLRIATGATADEMAQFY 2f22A 5 :GVLYAANMTNALAKEIPESKWDIQLIPELGTLRKLFIHIVRVRDVYRDGLKTGSIKFPGRLA T0369 73 :AVPVLPEQLVDRLDQSWQYYQD 2f22A 68 :DEHRLLDELERSMEELVFEFKQ T0369 101 :STE 2f22A 91 :TFN T0369 107 :WGVTDSTTGWLLEAAVHLYHHRSQLLDYLNLLGYDI 2f22A 98 :GENYLSIMELLGTVIQHEGIHQGQYYVALKQSGINL Number of specific fragments extracted= 4 number of extra gaps= 0 total=97 Number of alignments=15 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xrsA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xrsA expands to /projects/compbio/data/pdb/1xrs.pdb.gz 1xrsA:# T0369 read from 1xrsA/merged-good-all-a2m # 1xrsA read from 1xrsA/merged-good-all-a2m # adding 1xrsA to template set # found chain 1xrsA in template set T0369 3 :DWQQALDRHVGVGVRTTRDLIR 1xrsA 10 :NLVEKARAKAKAIAIDTQEFIE T0369 34 :R 1xrsA 50 :G T0369 35 :PISGKRSVYEVAVHLA 1xrsA 52 :DTDEVPLPNIVVDHIK T0369 52 :LLEADLRIATG 1xrsA 76 :AAMYIANAVLN T0369 63 :ATADEMAQ 1xrsA 89 :KTPQEIAQ T0369 71 :FYAVPV 1xrsA 105 :LTKLPM T0369 77 :LPEQLVDRL 1xrsA 112 :DLFEVKTKA T0369 86 :DQSWQYYQ 1xrsA 125 :KETVEKIK T0369 94 :DRLMADFSTETTYWG 1xrsA 136 :SIRESRFEEYGDKSG T0369 109 :VTDSTTGWLLEAAV 1xrsA 158 :ATGNIYEDITQAVA Number of specific fragments extracted= 10 number of extra gaps= 0 total=107 Number of alignments=16 # 1xrsA read from 1xrsA/merged-good-all-a2m # found chain 1xrsA in template set T0369 3 :DWQQALDRHVGVGVRTTRDLIRL 1xrsA 10 :NLVEKARAKAKAIAIDTQEFIEK T0369 32 :DKRPISGKRSVYEVAVHL 1xrsA 49 :DGVDTDEVPLPNIVVDHI T0369 50 :AVLLEADLRIATGATADEMA 1xrsA 76 :AAMYIANAVLNTGKTPQEIA T0369 70 :QFYAVPV 1xrsA 106 :TKLPMKD T0369 77 :LPEQLVDRLDQSWQYYQ 1xrsA 116 :VKTKALSMAKETVEKIK T0369 94 :DRLMADFSTETTYWG 1xrsA 136 :SIRESRFEEYGDKSG T0369 109 :VTDSTTGWLLEA 1xrsA 158 :ATGNIYEDITQA T0369 132 :LDYLNL 1xrsA 170 :VAAAKQ Number of specific fragments extracted= 8 number of extra gaps= 0 total=115 Number of alignments=17 # 1xrsA read from 1xrsA/merged-good-all-a2m # found chain 1xrsA in template set T0369 2 :TDWQQALDRHVGVGVRTTRDLIRL 1xrsA 9 :FNLVEKARAKAKAIAIDTQEFIEK T0369 33 :KRPISGKRSVYEVAVHLAV 1xrsA 50 :GVDTDEVPLPNIVVDHIKE T0369 52 :LLEADL 1xrsA 79 :YIANAV T0369 58 :RIATGATA 1xrsA 96 :QAISAGEL T0369 67 :EMAQFY 1xrsA 104 :DLTKLP T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRL 1xrsA 112 :DLFEVKTKALSMAKETVEKIKNNR T0369 97 :MADFSTE 1xrsA 139 :ESRFEEY T0369 106 :YWGVTDSTTGWLLEAAVH 1xrsA 155 :VIVATGNIYEDITQAVAA Number of specific fragments extracted= 8 number of extra gaps= 0 total=123 Number of alignments=18 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1r2rA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1r2rA expands to /projects/compbio/data/pdb/1r2r.pdb.gz 1r2rA:Skipped atom 418, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 420, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 422, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 424, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 821, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 823, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 826, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 1225, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 1227, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 1229, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 1231, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 1678, because occupancy 0.500 <= existing 0.500 in 1r2rA Skipped atom 1680, because occupancy 0.500 <= existing 0.500 in 1r2rA # T0369 read from 1r2rA/merged-good-all-a2m # 1r2rA read from 1r2rA/merged-good-all-a2m # adding 1r2rA to template set # found chain 1r2rA in template set T0369 13 :G 1r2rA 141 :K T0369 52 :LLEADLRIATG 1r2rA 142 :VVFEQTKVIAD T0369 63 :ATADE 1r2rA 155 :KDWSK T0369 68 :MAQFYAVPVLPEQLVDRLDQSWQYYQDRLMADFSTETTYW 1r2rA 168 :WAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRII T0369 108 :G 1r2rA 209 :G Number of specific fragments extracted= 5 number of extra gaps= 0 total=128 Number of alignments=19 # 1r2rA read from 1r2rA/merged-good-all-a2m # found chain 1r2rA in template set T0369 5 :QQALDRHVGVGVR 1r2rA 106 :DELIGQKVAHALS T0369 29 :EDWDKRP 1r2rA 132 :DEREAGI T0369 42 :VYEVAV 1r2rA 139 :TEKVVF T0369 51 :VLLEADLRIA 1r2rA 145 :EQTKVIADNV T0369 63 :ATADE 1r2rA 155 :KDWSK T0369 68 :MAQFYAVPVLPEQLVDRLDQSWQYYQDRLMADFSTETTYW 1r2rA 168 :WAIGTGKTATPQQAQEVHEKLRGWLKSNVSDAVAQSTRII T0369 108 :GVTDS 1r2rA 209 :GGSVT Number of specific fragments extracted= 7 number of extra gaps= 0 total=135 Number of alignments=20 # 1r2rA read from 1r2rA/merged-good-all-a2m # found chain 1r2rA in template set T0369 53 :LEADLRIATGATADEMAQF 1r2rA 139 :TEKVVFEQTKVIADNVKDW T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRLMADFSTE 1r2rA 173 :GKTATPQQAQEVHEKLRGWLKSNVSDAVAQS Number of specific fragments extracted= 2 number of extra gaps= 0 total=137 Number of alignments=21 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2bh4X/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2bh4X expands to /projects/compbio/data/pdb/2bh4.pdb.gz 2bh4X:Skipped atom 279, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 281, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 283, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 285, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 287, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 289, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 291, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 293, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 505, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 507, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 723, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 725, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 727, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 729, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 731, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 733, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 735, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 737, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 739, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 741, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 743, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 745, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 749, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 755, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 757, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 759, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 761, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 763, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 765, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 767, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 769, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 771, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 773, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 775, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 777, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 779, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 781, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 783, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 785, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 787, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 789, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 791, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 793, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 795, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 797, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 799, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 801, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 878, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 880, because occupancy 0.500 <= existing 0.500 in 2bh4X Skipped atom 882, because occupancy 0.500 <= existing 0.500 in 2bh4X # T0369 read from 2bh4X/merged-good-all-a2m # 2bh4X read from 2bh4X/merged-good-all-a2m # adding 2bh4X to template set # found chain 2bh4X in template set Warning: unaligning (T0369)S101 because of BadResidue code BAD_PEPTIDE in next template residue (2bh4X)K97 Warning: unaligning (T0369)T102 because of BadResidue code BAD_PEPTIDE at template residue (2bh4X)K97 T0369 62 :GATA 2bh4X 52 :GFKY T0369 66 :DE 2bh4X 57 :DG T0369 68 :MAQFYAVPVLPEQLVDRLDQSWQYYQDRLMADF 2bh4X 63 :AEKNPDMVWSEADLIEYVTDPKPWLVEKTGDSA T0369 103 :ETTYWGVTDSTTGWLLEAAVH 2bh4X 98 :TKKTFKLGKNQADVVAFLAQH Number of specific fragments extracted= 4 number of extra gaps= 1 total=141 Number of alignments=22 # 2bh4X read from 2bh4X/merged-good-all-a2m # found chain 2bh4X in template set Warning: unaligning (T0369)T102 because of BadResidue code BAD_PEPTIDE in next template residue (2bh4X)K97 Warning: unaligning (T0369)E103 because of BadResidue code BAD_PEPTIDE at template residue (2bh4X)K97 T0369 60 :ATGATADEMA 2bh4X 50 :VEGFKYGDGI T0369 70 :QFYAVPVLPEQLVDRLDQSWQYYQDRLMAD 2bh4X 65 :KNPDMVWSEADLIEYVTDPKPWLVEKTGDS T0369 101 :S 2bh4X 95 :A T0369 104 :TTYW 2bh4X 98 :TKKT T0369 108 :GVTDSTTGWLLEAAVH 2bh4X 103 :KLGKNQADVVAFLAQH Number of specific fragments extracted= 5 number of extra gaps= 1 total=146 Number of alignments=23 # 2bh4X read from 2bh4X/merged-good-all-a2m # found chain 2bh4X in template set T0369 17 :RTTRDLIRL 2bh4X 57 :DGILEVAEK T0369 35 :PISGKRSVYEVAVHLA 2bh4X 66 :NPDMVWSEADLIEYVT T0369 76 :VLPEQLVDR 2bh4X 82 :DPKPWLVEK T0369 100 :FSTE 2bh4X 91 :TGDS T0369 104 :TTYWGVTDSTTGWLLEAAVH 2bh4X 99 :KKTFKLGKNQADVVAFLAQH Number of specific fragments extracted= 5 number of extra gaps= 0 total=151 Number of alignments=24 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1y8qB/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1y8qB expands to /projects/compbio/data/pdb/1y8q.pdb.gz 1y8qB:# T0369 read from 1y8qB/merged-good-all-a2m # 1y8qB read from 1y8qB/merged-good-all-a2m # adding 1y8qB to template set # found chain 1y8qB in template set Warning: unaligning (T0369)H48 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1y8qB)L305 Warning: unaligning (T0369)A63 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1y8qB)L305 T0369 3 :DWQQALDRHVGVGVRT 1y8qB 250 :DPVKLFTKLFKDDIRY T0369 23 :IRLI 1y8qB 266 :LLTM T0369 29 :EDWDKRPIS 1y8qB 270 :DKLWRKRKP T0369 38 :GKRSVYEVAV 1y8qB 280 :VPLDWAEVQS T0369 64 :TADEM 1y8qB 306 :GLKDQ T0369 74 :VPVLPEQLVDRLDQSWQYYQDRLMADFSTETTYWGVTD 1y8qB 311 :QVLDVKSYARLFSKSIETLRVHLAEKGDGAELIWDKDD T0369 112 :STTGWLLEAAV 1y8qB 350 :SAMDFVTSAAN T0369 133 :DYLNLLGYDIK 1y8qB 361 :LRMHIFSMNMK Number of specific fragments extracted= 8 number of extra gaps= 0 total=159 Number of alignments=25 # 1y8qB read from 1y8qB/merged-good-all-a2m # found chain 1y8qB in template set T0369 3 :DWQQALDRHVGVGVRTT 1y8qB 250 :DPVKLFTKLFKDDIRYL T0369 24 :RLI 1y8qB 267 :LTM T0369 29 :EDWDKRPISGKR 1y8qB 270 :DKLWRKRKPPVP T0369 63 :ATADEMA 1y8qB 282 :LDWAEVQ T0369 77 :LPEQLVDRLDQSWQYYQDRLMADFST 1y8qB 314 :DVKSYARLFSKSIETLRVHLAEKGDG T0369 103 :ETTYWGVTDSTTGWLLEAA 1y8qB 341 :ELIWDKDDPSAMDFVTSAA T0369 132 :LDYLNLLGYDIK 1y8qB 360 :NLRMHIFSMNMK Number of specific fragments extracted= 7 number of extra gaps= 0 total=166 Number of alignments=26 # 1y8qB read from 1y8qB/merged-good-all-a2m # found chain 1y8qB in template set Warning: unaligning (T0369)H48 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (1y8qB)L305 Warning: unaligning (T0369)A63 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE at template residue (1y8qB)L305 T0369 5 :QQALDRHVGVGVRTT 1y8qB 252 :VKLFTKLFKDDIRYL T0369 24 :RLI 1y8qB 267 :LTM T0369 29 :EDW 1y8qB 270 :DKL T0369 32 :DKRPIS 1y8qB 275 :KRKPPV T0369 39 :KRSVYEVAV 1y8qB 281 :PLDWAEVQS T0369 64 :TADE 1y8qB 306 :GLKD T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRLMADFSTE 1y8qB 310 :QQVLDVKSYARLFSKSIETLRVHLAEKGDGA T0369 104 :TTYWGVTDSTTGWLLEAA 1y8qB 342 :LIWDKDDPSAMDFVTSAA T0369 132 :LDYLNLLGYDI 1y8qB 360 :NLRMHIFSMNM Number of specific fragments extracted= 9 number of extra gaps= 0 total=175 Number of alignments=27 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1ufoA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0369 read from 1ufoA/merged-good-all-a2m # 1ufoA read from 1ufoA/merged-good-all-a2m # found chain 1ufoA in training set T0369 4 :WQQALDRHVGVGVRTTRDLIRLIQ 1ufoA 81 :VYRVALGFKEEARRVAEEAERRFG T0369 41 :S 1ufoA 113 :S T0369 50 :AVLLEADLRIATGATA 1ufoA 114 :LGAFVAHLLLAEGFRP T0369 73 :AVPVLPE 1ufoA 140 :FPMKLPQ T0369 82 :VDRLDQSWQYYQ 1ufoA 188 :LARMEKTLEALR T0369 98 :ADFSTE 1ufoA 200 :PHYPEG T0369 109 :VTDS 1ufoA 217 :HTLT T0369 113 :TTGWLLEAAVHLY 1ufoA 223 :MARVGLAFLEHWL Number of specific fragments extracted= 8 number of extra gaps= 0 total=183 Number of alignments=28 # 1ufoA read from 1ufoA/merged-good-all-a2m # found chain 1ufoA in training set T0369 4 :WQQALDRHVGVGVRTTRDLIRLIQ 1ufoA 81 :VYRVALGFKEEARRVAEEAERRFG T0369 40 :RSVYEVAVHLAV 1ufoA 112 :GSLGAFVAHLLL T0369 60 :ATGATADE 1ufoA 124 :AEGFRPRG T0369 70 :QFYAVPV 1ufoA 140 :FPMKLPQ T0369 77 :LPEQL 1ufoA 166 :RGEAY T0369 82 :VDRLDQSWQYYQDRLMAD 1ufoA 188 :LARMEKTLEALRPHYPEG T0369 103 :ETTYW 1ufoA 206 :RLARF T0369 108 :GVTDST 1ufoA 216 :GHTLTP T0369 114 :TGWLLEAAVHLY 1ufoA 224 :ARVGLAFLEHWL Number of specific fragments extracted= 9 number of extra gaps= 0 total=192 Number of alignments=29 # 1ufoA read from 1ufoA/merged-good-all-a2m # found chain 1ufoA in training set T0369 2 :TDWQQALDRHVGVGVRTTRDLIRLIQ 1ufoA 79 :EEVYRVALGFKEEARRVAEEAERRFG T0369 40 :RSVYEVAVHLAV 1ufoA 112 :GSLGAFVAHLLL T0369 58 :RIATGATADEMAQFY 1ufoA 160 :QAPPATRGEAYGGVP T0369 78 :PEQL 1ufoA 188 :LARM T0369 90 :QYYQDRLMADFSTE 1ufoA 192 :EKTLEALRPHYPEG T0369 104 :TTYWGVTDSTTGWLLEAAVHLYH 1ufoA 214 :GAGHTLTPLMARVGLAFLEHWLE Number of specific fragments extracted= 6 number of extra gaps= 0 total=198 Number of alignments=30 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vi0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0369 read from 1vi0A/merged-good-all-a2m # 1vi0A read from 1vi0A/merged-good-all-a2m # found chain 1vi0A in training set Warning: unaligning (T0369)L96 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1vi0A)D131 Warning: unaligning (T0369)M97 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1vi0A)D131 T0369 3 :DWQQALDRHVGVGVRTTRDLIR 1vi0A 49 :NKEDILISLFKEKMGQFIERME T0369 29 :EDWD 1vi0A 71 :EDIK T0369 38 :GKRSVYEVAV 1vi0A 75 :EKATAKEKLA T0369 51 :VLLEADLRIATGATA 1vi0A 85 :LVISKHFSLLAGDHN T0369 67 :E 1vi0A 102 :I T0369 68 :MAQFYAVPV 1vi0A 104 :TQLELRQSN T0369 79 :EQLVDRLDQSWQYYQDR 1vi0A 113 :LELRQKINEILKGYLNI T0369 98 :ADFSTE 1vi0A 132 :GILTEG T0369 104 :TTYWGVTDSTTGWLLEAAVHLYH 1vi0A 140 :SGEIKEGLDVRLARQMIFGTIDE T0369 130 :QL 1vi0A 163 :TV T0369 133 :DYLNLLGYDIK 1vi0A 165 :TTWVMNDQKYD T0369 144 :LDL 1vi0A 177 :VAL Number of specific fragments extracted= 12 number of extra gaps= 1 total=210 Number of alignments=31 # 1vi0A read from 1vi0A/merged-good-all-a2m # found chain 1vi0A in training set Warning: unaligning (T0369)Y92 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1vi0A)D131 Warning: unaligning (T0369)Q93 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1vi0A)D131 T0369 2 :TDWQQALDRHVGVGVRTTRDLIRL 1vi0A 48 :KNKEDILISLFKEKMGQFIERMEE T0369 31 :WD 1vi0A 73 :IK T0369 38 :GKRSVYEVAV 1vi0A 75 :EKATAKEKLA T0369 51 :VLLEADLRIATGATA 1vi0A 85 :LVISKHFSLLAGDHN T0369 67 :EMA 1vi0A 100 :LAI T0369 70 :QFYAVPV 1vi0A 106 :LELRQSN T0369 77 :LPEQLVDRLDQSWQY 1vi0A 115 :LRQKINEILKGYLNI T0369 94 :DRLMADF 1vi0A 132 :GILTEGI T0369 101 :STETT 1vi0A 140 :SGEIK T0369 108 :GVTDST 1vi0A 146 :GLDVRL T0369 114 :TGWLLEAAV 1vi0A 153 :RQMIFGTID T0369 129 :SQLLDY 1vi0A 162 :ETVTTW T0369 136 :NLLGYDIK 1vi0A 168 :VMNDQKYD T0369 144 :LDL 1vi0A 177 :VAL Number of specific fragments extracted= 14 number of extra gaps= 1 total=224 Number of alignments=32 # 1vi0A read from 1vi0A/merged-good-all-a2m # found chain 1vi0A in training set Warning: unaligning (T0369)Y92 because of BadResidue code CHAIN_BREAK_BEFORE in next template residue (1vi0A)D131 Warning: unaligning (T0369)Q93 because of BadResidue code CHAIN_BREAK_BEFORE at template residue (1vi0A)D131 T0369 6 :QALDRHVGVGVRTTRDLIRL 1vi0A 52 :DILISLFKEKMGQFIERMEE T0369 36 :ISGKRSVYEVAVHLAVLLEADL 1vi0A 73 :IKEKATAKEKLALVISKHFSLL T0369 73 :AVPVLPEQLVDRLDQSWQY 1vi0A 111 :SNLELRQKINEILKGYLNI T0369 94 :DRLMADFSTE 1vi0A 132 :GILTEGIQSG T0369 104 :TTYWGVTDSTTGWLLEAAVHLY 1vi0A 144 :KEGLDVRLARQMIFGTIDETVT T0369 134 :YLNLLGYDIKL 1vi0A 166 :TWVMNDQKYDL Number of specific fragments extracted= 6 number of extra gaps= 1 total=230 Number of alignments=33 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1io7A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0369 read from 1io7A/merged-good-all-a2m # 1io7A read from 1io7A/merged-good-all-a2m # found chain 1io7A in training set T0369 5 :QQALDRHVGVGVRTTRDLIRLIQPED 1io7A 89 :PQKLQTLETFIRETTRSLLDSIDPRE T0369 41 :SVY 1io7A 116 :DIV T0369 47 :VHLA 1io7A 119 :KKLA T0369 51 :VLLEADLRIATGATADEMAQ 1io7A 124 :PLPIIVISKILGLPIEDKEK T0369 71 :FYAVPVLPEQLVDRLDQSWQYYQDRL 1io7A 154 :RLGKPGEIFELGKKYLELIGYVKDHL T0369 97 :MADFSTETTYWGVTDSTTGWLLEAA 1io7A 183 :TEVVSRVVNSNLSDIEKLGYIILLL T0369 122 :VHLYHHRSQLLDYLNLLGY 1io7A 212 :ETTTNLISNSVIDFTRFNL Number of specific fragments extracted= 7 number of extra gaps= 0 total=237 Number of alignments=34 # 1io7A read from 1io7A/merged-good-all-a2m # found chain 1io7A in training set T0369 6 :QALDRHVGVGVRTTRDLIRLIQPE 1io7A 90 :QKLQTLETFIRETTRSLLDSIDPR T0369 39 :KRSVYE 1io7A 114 :EDDIVK T0369 51 :VLLEADLRIATGATADEMA 1io7A 124 :PLPIIVISKILGLPIEDKE T0369 70 :QFYAVPVLPEQLVDRLDQSWQYYQDRLMA 1io7A 153 :FRLGKPGEIFELGKKYLELIGYVKDHLNS T0369 107 :W 1io7A 183 :T T0369 108 :GVTD 1io7A 191 :NSNL T0369 112 :STTGWLLEAA 1io7A 199 :KLGYIILLLI T0369 122 :VHLYHHRSQLLDYLNLLGY 1io7A 212 :ETTTNLISNSVIDFTRFNL Number of specific fragments extracted= 8 number of extra gaps= 0 total=245 Number of alignments=35 # 1io7A read from 1io7A/merged-good-all-a2m # found chain 1io7A in training set T0369 2 :TDWQQALDRHVG 1io7A 89 :PQKLQTLETFIR T0369 17 :RTTRDLIRLIQPED 1io7A 101 :ETTRSLLDSIDPRE T0369 40 :RSVYEVAVHLAVLLEADLRIATGATADEMAQF 1io7A 116 :DIVKKLAVPLPIIVISKILGLPIEDKEKFKEW T0369 73 :AVPVLPEQLVDRLDQSWQYYQDR 1io7A 156 :GKPGEIFELGKKYLELIGYVKDH T0369 100 :FSTE 1io7A 179 :LNSG T0369 104 :TTYWGVTDSTTGWLLEAA 1io7A 190 :VNSNLSDIEKLGYIILLL T0369 136 :NLL 1io7A 208 :IAG Number of specific fragments extracted= 7 number of extra gaps= 0 total=252 Number of alignments=36 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2g7sA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2g7sA expands to /projects/compbio/data/pdb/2g7s.pdb.gz 2g7sA:Skipped atom 78, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 80, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 82, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 84, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 86, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 88, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 90, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 92, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 94, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 149, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 151, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 153, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 155, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 157, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 159, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 161, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 163, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 165, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 167, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 169, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 261, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 263, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 265, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 267, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 269, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 271, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 273, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 275, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 277, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 297, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 299, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 301, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 303, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 305, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 307, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 309, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 311, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 361, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 363, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 365, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 367, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 369, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 371, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 373, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 375, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 377, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 379, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 381, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 383, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 385, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 387, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 389, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 391, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 393, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 395, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 397, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 399, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 469, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 471, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 473, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 475, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 477, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 479, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 481, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 483, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 485, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 529, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 531, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 533, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 535, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 537, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 539, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 541, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 543, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 545, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 547, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 549, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 739, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 741, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 743, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 745, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 747, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 749, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 751, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 753, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 830, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 832, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 834, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 836, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 838, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 840, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 842, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 917, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 919, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 921, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 923, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 925, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 927, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1066, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1068, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1070, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1072, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1074, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1076, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1078, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1080, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1082, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1084, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1086, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1088, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1090, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1092, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1094, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1096, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1098, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1221, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1223, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1225, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1227, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1229, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1231, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1233, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1235, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1237, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1239, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1241, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1251, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1253, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1255, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1257, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1259, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1261, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1263, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1342, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1344, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1346, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1348, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1350, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1352, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1354, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1356, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1358, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1360, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1362, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1453, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1455, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1457, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1459, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1461, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1463, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1465, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1467, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1469, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1471, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1555, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1557, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1559, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1561, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1563, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1565, because occupancy 0.500 <= existing 0.500 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1567, because occupancy 0.400 <= existing 0.400 in 2g7sA Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Bad short name: MSE for alphabet: ExtAA Replacing MSE with M Skipped atom 1569, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1579, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1581, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1583, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1585, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1587, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1589, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1591, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1593, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1595, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1597, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1599, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1601, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1603, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1605, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1607, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1609, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1611, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1613, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1615, because occupancy 0.500 <= existing 0.500 in 2g7sA Skipped atom 1617, because occupancy 0.500 <= existing 0.500 in 2g7sA # T0369 read from 2g7sA/merged-good-all-a2m # 2g7sA read from 2g7sA/merged-good-all-a2m # adding 2g7sA to template set # found chain 2g7sA in template set T0369 4 :WQQALDRHVGVGVRTTRDLIRLIQP 2g7sA 54 :VCKLVSQYRQEAEAGIAELEKNISD T0369 46 :AVHLAVLLEADLRIATGATADE 2g7sA 80 :LEQLRAYIGYWEGCIADATHPF T0369 68 :MA 2g7sA 104 :CA T0369 70 :QFYAVPVLPEQLVDRLDQSWQYYQDRLMADFSTE 2g7sA 107 :LASEIPVLPETVVLEVRAHFRSLSDWLTAVLERG T0369 104 :TTYWGVTDSTTGWLLEAAV 2g7sA 143 :QGRLVLTGTARANAEIFMA T0369 125 :YHHRS 2g7sA 162 :TVHGA Number of specific fragments extracted= 6 number of extra gaps= 0 total=258 Number of alignments=37 # 2g7sA read from 2g7sA/merged-good-all-a2m # found chain 2g7sA in template set T0369 4 :WQQALDRHVGVGVRTTRDLIRLIQP 2g7sA 54 :VCKLVSQYRQEAEAGIAELEKNISD T0369 42 :VYEVAV 2g7sA 79 :PLEQLR T0369 51 :VLLEADLRIATGATADEMA 2g7sA 85 :AYIGYWEGCIADATHPFCV T0369 70 :QFYAVPVLPEQLVDRLDQSWQYYQDRLMADF 2g7sA 107 :LASEIPVLPETVVLEVRAHFRSLSDWLTAVL T0369 101 :STETTYWGVTDSTTGWLLEAA 2g7sA 143 :QGRLVLTGTARANAEIFMATV T0369 128 :RSQLLD 2g7sA 164 :HGAMLS Number of specific fragments extracted= 6 number of extra gaps= 0 total=264 Number of alignments=38 # 2g7sA read from 2g7sA/merged-good-all-a2m # found chain 2g7sA in template set T0369 2 :TDWQQALDRHVGVGV 2g7sA 51 :SDLVCKLVSQYRQEA T0369 17 :RTTRDLIRLIQ 2g7sA 67 :AGIAELEKNIS T0369 40 :RSVYEVAVHLAVLLEADL 2g7sA 78 :DPLEQLRAYIGYWEGCIA T0369 68 :MAQFY 2g7sA 96 :DATHP T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRLMADFSTE 2g7sA 110 :EIPVLPETVVLEVRAHFRSLSDWLTAVLERG T0369 104 :TTYWGVTDSTTGWLLEAAVHL 2g7sA 143 :QGRLVLTGTARANAEIFMATV T0369 127 :HR 2g7sA 164 :HG Number of specific fragments extracted= 7 number of extra gaps= 0 total=271 Number of alignments=39 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1n2aA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1n2aA expands to /projects/compbio/data/pdb/1n2a.pdb.gz 1n2aA:# T0369 read from 1n2aA/merged-good-all-a2m # 1n2aA read from 1n2aA/merged-good-all-a2m # adding 1n2aA to template set # found chain 1n2aA in template set T0369 15 :GVRTTRDLIRLI 1n2aA 66 :GVAIMQYLADSV T0369 28 :PEDWDK 1n2aA 78 :PDRQLL T0369 35 :PISGKRSVYEVAVHLAVLLEADLRIAT 1n2aA 84 :APVNSISRYKTIEWLNYIATELHKGFT T0369 62 :GATADEM 1n2aA 114 :RPDTPEE T0369 77 :LPEQLVDRLDQSWQYYQDR 1n2aA 121 :YKPTVRAQLEKKLQYVNEA T0369 100 :FSTETTYWGVTDSTTGWLLEA 1n2aA 140 :LKDEHWICGQRFTIADAYLFT T0369 131 :LLDYLNLLGYDIK 1n2aA 161 :VLRWAYAVKLNLE Number of specific fragments extracted= 7 number of extra gaps= 0 total=278 Number of alignments=40 # 1n2aA read from 1n2aA/merged-good-all-a2m # found chain 1n2aA in template set T0369 15 :GVRTTRDLIRL 1n2aA 66 :GVAIMQYLADS T0369 28 :PED 1n2aA 78 :PDR T0369 32 :DKRPISGKRSVYEVAVHLAVLLEADLRIAT 1n2aA 81 :QLLAPVNSISRYKTIEWLNYIATELHKGFT T0369 62 :GATADEMAQ 1n2aA 116 :DTPEEYKPT T0369 77 :LPEQLVDRLDQSWQYYQD 1n2aA 125 :VRAQLEKKLQYVNEALKD T0369 105 :TYW 1n2aA 143 :EHW T0369 108 :GVTDSTTGWLLEAA 1n2aA 148 :GQRFTIADAYLFTV T0369 132 :LDYLNLLGYDIK 1n2aA 162 :LRWAYAVKLNLE Number of specific fragments extracted= 8 number of extra gaps= 0 total=286 Number of alignments=41 # 1n2aA read from 1n2aA/merged-good-all-a2m # found chain 1n2aA in template set T0369 15 :GVRTTRDLIRLIQ 1n2aA 66 :GVAIMQYLADSVP T0369 30 :DWDKRPISGKRSVYEVAVHLAVLLEADLRIATG 1n2aA 79 :DRQLLAPVNSISRYKTIEWLNYIATELHKGFTP T0369 68 :MAQFYAVPVLPEQLVDRLDQSWQYYQDR 1n2aA 112 :LFRPDTPEEYKPTVRAQLEKKLQYVNEA T0369 100 :FSTETTYWGVTDSTTGWLLEAA 1n2aA 140 :LKDEHWICGQRFTIADAYLFTV T0369 132 :LDYLNLLGYDIK 1n2aA 162 :LRWAYAVKLNLE Number of specific fragments extracted= 5 number of extra gaps= 0 total=291 Number of alignments=42 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1z8oA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1z8oA expands to /projects/compbio/data/pdb/1z8o.pdb.gz 1z8oA:# T0369 read from 1z8oA/merged-good-all-a2m # 1z8oA read from 1z8oA/merged-good-all-a2m # adding 1z8oA to template set # found chain 1z8oA in template set T0369 6 :QALDRHVGVGVRTTRDLIRLI 1z8oA 112 :RRVEAMRPRVEQITAELLDEV T0369 35 :PISGKRSVY 1z8oA 133 :GDSGVVDIV T0369 50 :AVLLEADLRIATGATADEMAQFYA 1z8oA 146 :HPLPIKVICELLGVDEKYRGEFGR T0369 74 :VPV 1z8oA 177 :MDP T0369 77 :LPEQLVDRLDQSWQYYQDRL 1z8oA 181 :RAEQRGQAAREVVNFILDLV T0369 98 :ADFSTETT 1z8oA 201 :ERRRTEPG T0369 108 :G 1z8oA 209 :D T0369 109 :VTD 1z8oA 226 :LSA T0369 112 :S 1z8oA 230 :E T0369 113 :TTGWLLEAAVHLYHHRSQLLDYLNLL 1z8oA 232 :TSIALVLLLAGFEASVSLIGIGTYLL Number of specific fragments extracted= 10 number of extra gaps= 0 total=301 Number of alignments=43 # 1z8oA read from 1z8oA/merged-good-all-a2m # found chain 1z8oA in template set T0369 6 :QALDRHVGVGVRTTRDLIRLIQ 1z8oA 112 :RRVEAMRPRVEQITAELLDEVG T0369 36 :ISGKRSVYEV 1z8oA 134 :DSGVVDIVDR T0369 50 :AVLLEADLRIATGATADEMAQFYAV 1z8oA 146 :HPLPIKVICELLGVDEKYRGEFGRW T0369 75 :PVLPEQLVDRLDQSWQYYQDRLMADFSTETTYW 1z8oA 179 :PERAEQRGQAAREVVNFILDLVERRRTEPGDDL T0369 108 :GVTDST 1z8oA 223 :DGRLSA T0369 114 :TGWLLEAAVHLYHHRSQLLDYLNL 1z8oA 233 :SIALVLLLAGFEASVSLIGIGTYL Number of specific fragments extracted= 6 number of extra gaps= 0 total=307 Number of alignments=44 # 1z8oA read from 1z8oA/merged-good-all-a2m # found chain 1z8oA in template set T0369 2 :TDWQQALDRHVG 1z8oA 111 :VRRVEAMRPRVE T0369 17 :RTTRDLIRLIQP 1z8oA 123 :QITAELLDEVGD T0369 37 :SGKRSVYEVAVH 1z8oA 135 :SGVVDIVDRFAH T0369 49 :LAVLLEADLRIATGATADEMAQF 1z8oA 148 :LPIKVICELLGVDEKYRGEFGRW T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRLMADFSTE 1z8oA 177 :MDPERAEQRGQAAREVVNFILDLVERRRTEP T0369 104 :TTYWGVTDSTTGWLLEAAVHLYHHRSQLLDYLNL 1z8oA 223 :DGRLSADELTSIALVLLLAGFEASVSLIGIGTYL Number of specific fragments extracted= 6 number of extra gaps= 0 total=313 Number of alignments=45 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1sqgA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments # T0369 read from 1sqgA/merged-good-all-a2m # 1sqgA read from 1sqgA/merged-good-all-a2m # found chain 1sqgA in training set T0369 3 :DWQQALDRHVGVGVRTTRDL 1sqgA 39 :KDKALLQELCFGVLRTLSQL T0369 23 :IRLI 1sqgA 62 :INKL T0369 31 :WDKRPISGKRSV 1sqgA 66 :MARPMTGKQRTV T0369 48 :HLAVLLEADLRIATGATADE 1sqgA 78 :HYLIMVGLYQLLYTRIPPHA T0369 68 :MA 1sqgA 99 :LA T0369 70 :QFYAVPVLPEQLVDRLDQSWQYY 1sqgA 107 :IAIKRPQLKGLINGVLRQFQRQQ T0369 94 :DRLMADFSTETTYWG 1sqgA 130 :EELLAEFNASDARYL Number of specific fragments extracted= 7 number of extra gaps= 0 total=320 Number of alignments=46 # 1sqgA read from 1sqgA/merged-good-all-a2m # found chain 1sqgA in training set T0369 4 :WQQALDRHVGVGVRTTRDL 1sqgA 40 :DKALLQELCFGVLRTLSQL T0369 23 :IRLI 1sqgA 62 :INKL T0369 31 :WDKRPISGKRSVYEVAV 1sqgA 66 :MARPMTGKQRTVHYLIM T0369 53 :LEADLRIATGATADEMA 1sqgA 83 :VGLYQLLYTRIPPHAAL T0369 70 :QFYAVPVLPEQLVDRLDQS 1sqgA 107 :IAIKRPQLKGLINGVLRQF T0369 89 :WQYYQDRLMADF 1sqgA 150 :LKRLQKAYPEQW T0369 101 :STETTYW 1sqgA 169 :NQRPPMW T0369 108 :GVTDSTTGWLLE 1sqgA 180 :RTHHSRDSWLAL T0369 135 :LNLLGYD 1sqgA 192 :LDEAGMK Number of specific fragments extracted= 9 number of extra gaps= 0 total=329 Number of alignments=47 # 1sqgA read from 1sqgA/merged-good-all-a2m # found chain 1sqgA in training set T0369 2 :TDWQQALDRHVGVGVRTTRDLIRLI 1sqgA 41 :KALLQELCFGVLRTLSQLDWLINKL T0369 33 :KRPISGKRSVYEVAVHLAVLLEADLRIATGATADEMAQFY 1sqgA 67 :ARPMTGKQRTVHYLIMVGLYQLLYTRIPPHAALAETVEGA T0369 73 :AVPVLPEQLVDRLDQSWQY 1sqgA 110 :KRPQLKGLINGVLRQFQRQ T0369 93 :QDRLMADFSTETTYWGVTDSTTGWLLEA 1sqgA 129 :QEELLAEFNASDARYLHPSWLLKRLQKA Number of specific fragments extracted= 4 number of extra gaps= 0 total=333 Number of alignments=48 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1vb5A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1vb5A expands to /projects/compbio/data/pdb/1vb5.pdb.gz 1vb5A:# T0369 read from 1vb5A/merged-good-all-a2m # 1vb5A read from 1vb5A/merged-good-all-a2m # adding 1vb5A to template set # found chain 1vb5A in template set T0369 3 :DWQQALDRH 1vb5A 5 :RVLEILREM T0369 12 :VGVGVRTTRDLIRLIQPEDW 1vb5A 25 :AKKGAEAFLTLAEELDESLL T0369 41 :SVYEVAVHLAVLLE 1vb5A 47 :AIMELREEVVKVNP T0369 55 :ADLRIA 1vb5A 63 :ASLYNL T0369 69 :AQFYAVPVLPEQLVDRLDQSWQYYQD 1vb5A 69 :ARFIPVTNRRDILKSRALEFLRRMEE T0369 95 :RLMADFSTETTYWG 1vb5A 98 :ELASIGAQLIDDGD T0369 109 :VTDSTTGWLLEAAV 1vb5A 118 :FSSTVLEIIRTAKE T0369 131 :LLDYLNLLGYDIK 1vb5A 152 :LARELEFSGIEFE T0369 144 :L 1vb5A 167 :T Number of specific fragments extracted= 9 number of extra gaps= 0 total=342 Number of alignments=49 # 1vb5A read from 1vb5A/merged-good-all-a2m # found chain 1vb5A in template set T0369 3 :DWQQALDRH 1vb5A 5 :RVLEILREM T0369 12 :VGVGVRTTRDLIRLIQPEDWD 1vb5A 25 :AKKGAEAFLTLAEELDESLLE T0369 41 :SVYEVAVHLAVLLEADLRIA 1vb5A 47 :AIMELREEVVKVNPSMASLY T0369 67 :EMAQFYAVPVLPEQLVDRLDQSWQYYQDRLMA 1vb5A 67 :NLARFIPVTNRRDILKSRALEFLRRMEEAKRE T0369 99 :DFSTETTYW 1vb5A 102 :IGAQLIDDG T0369 108 :GVTDSTTGWLLEAAV 1vb5A 117 :SFSSTVLEIIRTAKE T0369 130 :QLLDYLNLLGYDIK 1vb5A 151 :HLARELEFSGIEFE Number of specific fragments extracted= 7 number of extra gaps= 0 total=349 Number of alignments=50 # 1vb5A read from 1vb5A/merged-good-all-a2m # found chain 1vb5A in template set T0369 2 :TDWQQALDRH 1vb5A 7 :LEILREMKRE T0369 12 :VGVGVRTTRDLIRLIQPEDWD 1vb5A 25 :AKKGAEAFLTLAEELDESLLE T0369 41 :SVYEVAVHLAV 1vb5A 47 :AIMELREEVVK T0369 52 :LLEADLRIAT 1vb5A 64 :SLYNLARFIP T0369 70 :QFYAVPVLPEQLVDR 1vb5A 74 :VTNRRDILKSRALEF T0369 85 :LDQSWQYYQDRLMADFSTE 1vb5A 92 :MEEAKRELASIGAQLIDDG T0369 106 :YWGVTDSTTGWLLEAAV 1vb5A 115 :THSFSSTVLEIIRTAKE T0369 129 :SQLLDYLNLLGYDI 1vb5A 150 :LHLARELEFSGIEF Number of specific fragments extracted= 8 number of extra gaps= 0 total=357 Number of alignments=51 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1lrv/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1lrv expands to /projects/compbio/data/pdb/1lrv.pdb.gz 1lrv:Warning: there is no chain 1lrv will retry with 1lrvA # T0369 read from 1lrv/merged-good-all-a2m # 1lrv read from 1lrv/merged-good-all-a2m # adding 1lrv to template set # found chain 1lrv in template set Warning: unaligning (T0369)Q27 because of BadResidue code BAD_PEPTIDE in next template residue (1lrv)L124 Warning: unaligning (T0369)P28 because of BadResidue code BAD_PEPTIDE at template residue (1lrv)L124 T0369 16 :VRTTRDLIRLI 1lrv 112 :REVRITVADRL T0369 29 :EDWDKRPISG 1lrv 125 :EQLEQMAADR T0369 50 :AVLLEADLRI 1lrv 136 :YLVRAYVVQR T0369 63 :ATADEMAQFYAVPV 1lrv 146 :IPPGRLFRFMRDED T0369 86 :DQSWQYYQDRLMADFSTETTYWGVTDSTTGWLLE 1lrv 160 :RQVRKLVAKRLPEESLGLMTQDPEPEVRRIVASR Number of specific fragments extracted= 5 number of extra gaps= 1 total=362 Number of alignments=52 # 1lrv read from 1lrv/merged-good-all-a2m # found chain 1lrv in template set Warning: unaligning (T0369)Q27 because of BadResidue code BAD_PEPTIDE in next template residue (1lrv)L124 Warning: unaligning (T0369)P28 because of BadResidue code BAD_PEPTIDE at template residue (1lrv)L124 T0369 17 :RTTRDLIRLI 1lrv 113 :EVRITVADRL T0369 29 :EDWDKRPISGKR 1lrv 125 :EQLEQMAADRDY T0369 51 :VLLEADLRI 1lrv 137 :LVRAYVVQR T0369 63 :ATADEMAQFYAVPV 1lrv 146 :IPPGRLFRFMRDED T0369 82 :VDRLDQSWQY 1lrv 160 :RQVRKLVAKR T0369 95 :RLMADFST 1lrv 170 :LPEESLGL T0369 106 :YWGVTD 1lrv 178 :MTQDPE T0369 112 :STTGWLL 1lrv 185 :EVRRIVA Number of specific fragments extracted= 8 number of extra gaps= 1 total=370 Number of alignments=53 # 1lrv read from 1lrv/merged-good-all-a2m # found chain 1lrv in template set Warning: unaligning (T0369)Q27 because of BadResidue code BAD_PEPTIDE in next template residue (1lrv)L124 Warning: unaligning (T0369)P28 because of BadResidue code BAD_PEPTIDE at template residue (1lrv)L124 T0369 17 :RTTRDLIRLI 1lrv 113 :EVRITVADRL T0369 29 :EDWDK 1lrv 125 :EQLEQ T0369 51 :VLLEADLRIATGATADEMAQFY 1lrv 137 :LVRAYVVQRIPPGRLFRFMRDE T0369 74 :VPV 1lrv 159 :DRQ T0369 88 :SWQ 1lrv 162 :VRK T0369 95 :RLMADFSTETTYWGVTDSTTGWLLEAAV 1lrv 165 :LVAKRLPEESLGLMTQDPEPEVRRIVAS Number of specific fragments extracted= 6 number of extra gaps= 1 total=376 Number of alignments=54 # Reading fragments from alignment file # Attempting to read fragment alignments from file 2fflA/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 2fflA expands to /projects/compbio/data/pdb/2ffl.pdb.gz 2fflA:# T0369 read from 2fflA/merged-good-all-a2m # 2fflA read from 2fflA/merged-good-all-a2m # adding 2fflA to template set # found chain 2fflA in template set Warning: unaligning (T0369)V76 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2fflA)P558 T0369 6 :QALDRHVGVG 2fflA 463 :HEFRSLVDYA T0369 16 :VRTTRDLIRLIQPEDW 2fflA 486 :STMFLERLRDIPAEDM T0369 32 :DKRPISGKRSVYEVAVHLAVLLEADLRIA 2fflA 516 :GLSGPGGVVSVIDIMTHLARGLWLGSPGF T0369 73 :AVP 2fflA 545 :YVE T0369 80 :QLVDRLDQ 2fflA 591 :KVLALYEK T0369 88 :SWQYYQDRL 2fflA 612 :AAQTVSRSL T0369 102 :T 2fflA 621 :A T0369 104 :TTYWGVTDSTTGWLLEAA 2fflA 622 :VPIPSGTIPFLIRLLQIA T0369 128 :RSQLLDYLN 2fflA 645 :YQKLELLGD Number of specific fragments extracted= 9 number of extra gaps= 0 total=385 Number of alignments=55 # 2fflA read from 2fflA/merged-good-all-a2m # found chain 2fflA in template set Warning: unaligning (T0369)P75 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2fflA)T585 T0369 6 :QALDRHVGVGVR 2fflA 463 :HEFRSLVDYACE T0369 18 :TTRDLIRLIQPEDW 2fflA 488 :MFLERLRDIPAEDM T0369 32 :DKRPISGKRSVYEVAVHLAVLLEADLRI 2fflA 516 :GLSGPGGVVSVIDIMTHLARGLWLGSPG T0369 60 :ATGATADEMAQ 2fflA 568 :HRSVQCPVLYG T0369 73 :AV 2fflA 579 :SL T0369 77 :LPEQLVDRLDQS 2fflA 588 :VASKVLALYEKI T0369 89 :WQYYQDRLMADFSTE 2fflA 609 :KHIAAQTVSRSLAVP T0369 106 :YWGVTDSTTGWLLEAA 2fflA 624 :IPSGTIPFLIRLLQIA T0369 127 :H 2fflA 643 :H T0369 128 :RSQLLDYLNL 2fflA 645 :YQKLELLGDA Number of specific fragments extracted= 10 number of extra gaps= 0 total=395 Number of alignments=56 # 2fflA read from 2fflA/merged-good-all-a2m # found chain 2fflA in template set Warning: unaligning (T0369)P75 because of BadResidue code CHAIN_BREAK_BEFORE+BAD_PEPTIDE in next template residue (2fflA)T585 T0369 5 :QQALDRHVGVGVRTTRD 2fflA 498 :AEDMLDWYRLGIQFSHR T0369 31 :WDKRPISGKRSVYEVAVHLAVLLEADL 2fflA 515 :SGLSGPGGVVSVIDIMTHLARGLWLGS T0369 58 :RIATGATADEMAQFY 2fflA 566 :IYHRSVQCPVLYGSL T0369 78 :PEQLVDRLDQSWQ 2fflA 589 :ASKVLALYEKILA T0369 91 :YYQDRLMADFST 2fflA 611 :IAAQTVSRSLAV T0369 105 :TYWGVTDSTTGWLLEAA 2fflA 623 :PIPSGTIPFLIRLLQIA Number of specific fragments extracted= 6 number of extra gaps= 0 total=401 Number of alignments=57 # Reading fragments from alignment file # Attempting to read fragment alignments from file 1xo0A/merged-good-all-a2m with NO bystroff filtering # adding to alignment library if long or multiple fragments 1xo0A expands to /projects/compbio/data/pdb/1xo0.pdb.gz 1xo0A:# T0369 read from 1xo0A/merged-good-all-a2m # 1xo0A read from 1xo0A/merged-good-all-a2m # adding 1xo0A to template set # found chain 1xo0A in template set T0369 3 :DWQQALDRHVGVG 1xo0A 47 :SVCRSWAAWCKLN T0369 16 :VRTTRDLIRLI 1xo0A 68 :PEDVRDYLLYL T0369 38 :GKRSVYEVAVHLAVLLEADLR 1xo0A 81 :RGLAVKTIQQHLGQLNMLHRR T0369 61 :TGATADEM 1xo0A 102 :SGLPRPSD T0369 72 :Y 1xo0A 110 :S T0369 83 :DRLDQSWQYYQDRLMADFSTETTYWG 1xo0A 111 :NAVSLVMRRIRKENVDAGERAKQALA T0369 109 :VTDSTTGWLLEAA 1xo0A 151 :NSDRCQDIRNLAF Number of specific fragments extracted= 7 number of extra gaps= 0 total=408 Number of alignments=58 # 1xo0A read from 1xo0A/merged-good-all-a2m # found chain 1xo0A in template set T0369 77 :LPEQLVDRLDQSWQYYQDRL 1xo0A 41 :TWKMLLSVCRSWAAWCKLNN T0369 104 :TTYWGVTD 1xo0A 61 :RKWFPAEP T0369 112 :STTGWLLEAAV 1xo0A 70 :DVRDYLLYLQA T0369 123 :HLYHHRSQLLDYLNLLGYDIKLD 1xo0A 87 :TIQQHLGQLNMLHRRSGLPRPSD Number of specific fragments extracted= 4 number of extra gaps= 0 total=412 Number of alignments=59 # 1xo0A read from 1xo0A/merged-good-all-a2m # found chain 1xo0A in template set T0369 73 :AVPVLPEQLVDRLDQSWQYYQDRLMAD 1xo0A 33 :DRQAFSEHTWKMLLSVCRSWAAWCKLN T0369 102 :TETTYWGVTDSTTGWLLEAAV 1xo0A 60 :NRKWFPAEPEDVRDYLLYLQA T0369 124 :LYHHRSQLLDYLNLLGYD 1xo0A 88 :IQQHLGQLNMLHRRSGLP Number of specific fragments extracted= 3 number of extra gaps= 0 total=415 Number of alignments=60 # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0369//projects/compbio/experiments/protein-predict/casp7/T0369/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0369//projects/compbio/experiments/protein-predict/casp7/T0369/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0369/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0369/align.constraints_v3.costfcn # future Constraint commands -> align # future HelixConstraint commands -> align # future StrandConstraint commands -> align # future SheetConstraint commands -> align # future Hbond commands -> align # future SSbond commands -> align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)L49.CB) [> 3.9452 = 6.5753 < 8.5479] w=1.0000 to align # Constraint # added constraint: constraint((T0369)W31.CB, (T0369)V42.CB) [> 3.0441 = 5.0735 < 6.5955] w=0.9794 to align # Constraint # added constraint: constraint((T0369)W31.CB, (T0369)S41.CB) [> 3.8236 = 6.3726 < 8.2844] w=0.9682 to align # Constraint # added constraint: constraint((T0369)I23.CB, (T0369)V42.CB) [> 4.2842 = 7.1404 < 9.2825] w=0.8890 to align # Constraint # added constraint: constraint((T0369)V16.CB, (T0369)L85.CB) [> 3.2164 = 5.3608 < 6.9690] w=0.8855 to align # Constraint # added constraint: constraint((T0369)L57.CB, (T0369)S88.CB) [> 3.2151 = 5.3585 < 6.9661] w=0.8349 to align # Constraint # added constraint: constraint((T0369)W31.CB, (T0369)Y43.CB) [> 2.7408 = 4.5679 < 5.9383] w=0.8155 to align # Constraint # added constraint: constraint((T0369)I26.CB, (T0369)V42.CB) [> 3.7848 = 6.3080 < 8.2005] w=0.8145 to align # Constraint # added constraint: constraint((T0369)E54.CB, (T0369)R84.CB) [> 3.7964 = 6.3273 < 8.2254] w=0.8057 to align # Constraint # added constraint: constraint((T0369)I23.CB, (T0369)A46.CB) [> 3.4764 = 5.7940 < 7.5323] w=0.7952 to align # Constraint # added constraint: constraint((T0369)R20.CB, (T0369)V82.CB) [> 4.1875 = 6.9791 < 9.0729] w=0.7938 to align # Constraint # added constraint: constraint((T0369)L57.CB, (T0369)Y91.CB) [> 3.7676 = 6.2793 < 8.1630] w=0.7869 to align # Constraint # added constraint: constraint((T0369)L53.CB, (T0369)S88.CB) [> 3.5320 = 5.8866 < 7.6526] w=0.7869 to align # Constraint # added constraint: constraint((T0369)L53.CB, (T0369)A120.CB) [> 4.1618 = 6.9363 < 9.0172] w=0.7797 to align # Constraint # added constraint: constraint((T0369)L49.CB, (T0369)L124.CB) [> 4.2306 = 7.0510 < 9.1663] w=0.7729 to align # Constraint # added constraint: constraint((T0369)V12.CB, (T0369)S88.CB) [> 4.0395 = 6.7325 < 8.7523] w=0.7709 to align # Constraint # added constraint: constraint((T0369)V12.CB, (T0369)Y92.CB) [> 4.1353 = 6.8921 < 8.9597] w=0.7520 to align # Constraint # added constraint: constraint((T0369)A50.CB, (T0369)L81.CB) [> 3.4439 = 5.7398 < 7.4617] w=0.7442 to align # Constraint # added constraint: constraint((T0369)D56.CB, (T0369)A120.CB) [> 3.2882 = 5.4803 < 7.1244] w=0.7420 to align # Constraint # added constraint: constraint((T0369)L52.CB, (T0369)H123.CB) [> 3.9883 = 6.6472 < 8.6414] w=0.7420 to align # Constraint # added constraint: constraint((T0369)H48.CB, (T0369)H127.CB) [> 4.3686 = 7.2811 < 9.4654] w=0.7420 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)L81.CB) [> 4.0076 = 6.6793 < 8.6832] w=0.7192 to align # Constraint # added constraint: constraint((T0369)L57.CB, (T0369)R84.CB) [> 3.9292 = 6.5486 < 8.5132] w=0.6981 to align # Constraint # added constraint: constraint((T0369)L49.CB, (T0369)H127.CB) [> 3.7548 = 6.2581 < 8.1355] w=0.6880 to align # Constraint # added constraint: constraint((T0369)Y92.CB, (T0369)L117.CB) [> 3.7647 = 6.2745 < 8.1568] w=0.6831 to align # Constraint # added constraint: constraint((T0369)I23.CB, (T0369)P78.CB) [> 3.3068 = 5.5113 < 7.1646] w=0.6824 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)L131.CB) [> 3.3555 = 5.5926 < 7.2703] w=0.6685 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)R128.CB) [> 3.4402 = 5.7336 < 7.4537] w=0.6685 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)L124.CB) [> 3.6881 = 6.1469 < 7.9910] w=0.6685 to align # Constraint # added constraint: constraint((T0369)T18.CB, (T0369)R128.CB) [> 3.5653 = 5.9421 < 7.7248] w=0.6685 to align # Constraint # added constraint: constraint((T0369)T18.CB, (T0369)L124.CB) [> 4.4689 = 7.4481 < 9.6825] w=0.6685 to align # Constraint # added constraint: constraint((T0369)V12.CB, (T0369)A121.CB) [> 3.5095 = 5.8491 < 7.6038] w=0.6685 to align # Constraint # added constraint: constraint((T0369)V12.CB, (T0369)A120.CB) [> 3.7649 = 6.2749 < 8.1574] w=0.6685 to align # Constraint # added constraint: constraint((T0369)I59.CB, (T0369)W116.CB) [> 4.2400 = 7.0666 < 9.1866] w=0.6685 to align # Constraint # added constraint: constraint((T0369)D56.CB, (T0369)W116.CB) [> 4.0501 = 6.7502 < 8.7753] w=0.6685 to align # Constraint # added constraint: constraint((T0369)A50.CB, (T0369)R84.CB) [> 3.5584 = 5.9307 < 7.7099] w=0.6685 to align # Constraint # added constraint: constraint((T0369)V45.CB, (T0369)L131.CB) [> 3.8680 = 6.4466 < 8.3806] w=0.6685 to align # Constraint # added constraint: constraint((T0369)V45.CB, (T0369)H127.CB) [> 3.4494 = 5.7489 < 7.4736] w=0.6685 to align # Constraint # added constraint: constraint((T0369)V42.CB, (T0369)L131.CB) [> 3.8292 = 6.3820 < 8.2966] w=0.6685 to align # Constraint # added constraint: constraint((T0369)K39.CB, (T0369)Q130.CB) [> 3.9834 = 6.6389 < 8.6306] w=0.6685 to align # Constraint # added constraint: constraint((T0369)I36.CB, (T0369)Y134.CB) [> 3.8518 = 6.4197 < 8.3456] w=0.6685 to align # Constraint # added constraint: constraint((T0369)P35.CB, (T0369)Y134.CB) [> 2.7328 = 4.5546 < 5.9210] w=0.6685 to align # Constraint # added constraint: constraint((T0369)P35.CB, (T0369)L131.CB) [> 4.2120 = 7.0201 < 9.1261] w=0.6685 to align # Constraint # added constraint: constraint((T0369)I26.CB, (T0369)Y140.CB) [> 4.0026 = 6.6710 < 8.6723] w=0.6685 to align # Constraint # added constraint: constraint((T0369)I26.CB, (T0369)L135.CB) [> 4.5644 = 7.6073 < 9.8895] w=0.6685 to align # Constraint # added constraint: constraint((T0369)L53.CB, (T0369)R84.CB) [> 3.1723 = 5.2871 < 6.8733] w=0.6683 to align # Constraint # added constraint: constraint((T0369)F100.CB, (T0369)T113.CB) [> 3.1958 = 5.3263 < 6.9242] w=0.6441 to align # Constraint # added constraint: constraint((T0369)V12.CB, (T0369)L85.CB) [> 3.9384 = 6.5640 < 8.5331] w=0.6365 to align # Constraint # added constraint: constraint((T0369)L132.CB, (T0369)I142.CB) [> 3.8114 = 6.3524 < 8.2581] w=0.6355 to align # Constraint # added constraint: constraint((T0369)A60.CB, (T0369)T113.CB) [> 4.1957 = 6.9929 < 9.0908] w=0.6306 to align # Constraint # added constraint: constraint((T0369)D56.CB, (T0369)S88.CB) [> 4.2372 = 7.0620 < 9.1806] w=0.6267 to align # Constraint # added constraint: constraint((T0369)V42.CB, (T0369)V74.CB) [> 3.9536 = 6.5893 < 8.5661] w=0.6193 to align # Constraint # added constraint: constraint((T0369)L57.CB, (T0369)Q87.CB) [> 3.8700 = 6.4500 < 8.3849] w=0.6163 to align # Constraint # added constraint: constraint((T0369)E103.CB, (T0369)S112.CB) [> 3.2268 = 5.3780 < 6.9914] w=0.6153 to align # Constraint # added constraint: constraint((T0369)A55.CB, (T0369)M68.CB) [> 4.3298 = 7.2163 < 9.3812] w=0.6030 to align # Constraint # added constraint: constraint((T0369)F100.CB, (T0369)L117.CB) [> 4.3583 = 7.2639 < 9.4431] w=0.5994 to align # Constraint # added constraint: constraint((T0369)V16.CB, (T0369)L81.CB) [> 3.3458 = 5.5764 < 7.2494] w=0.5989 to align # Constraint # added constraint: constraint((T0369)L53.CB, (T0369)L85.CB) [> 4.0311 = 6.7185 < 8.7340] w=0.5980 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)V45.CB) [> 3.9880 = 6.6467 < 8.6407] w=0.5793 to align # Constraint # added constraint: constraint((T0369)R24.CB, (T0369)P78.CB) [> 4.3275 = 7.2125 < 9.3763] w=0.5710 to align # Constraint # added constraint: constraint((T0369)A60.CB, (T0369)W116.CB) [> 4.3139 = 7.1898 < 9.3467] w=0.5571 to align # Constraint # added constraint: constraint((T0369)A60.CB, (T0369)Y92.CB) [> 4.3126 = 7.1877 < 9.3440] w=0.5571 to align # Constraint # added constraint: constraint((T0369)L49.CB, (T0369)L81.CB) [> 3.7631 = 6.2719 < 8.1535] w=0.5571 to align # Constraint # added constraint: constraint((T0369)A50.CB, (T0369)Q80.CB) [> 2.9587 = 4.9312 < 6.4105] w=0.5571 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)L52.CB) [> 3.6646 = 6.1077 < 7.9400] w=0.5453 to align # Constraint # added constraint: constraint((T0369)V51.CB, (T0369)M68.CB) [> 4.0095 = 6.6824 < 8.6872] w=0.5268 to align # Constraint # added constraint: constraint((T0369)E54.CB, (T0369)S88.CB) [> 3.9327 = 6.5546 < 8.5209] w=0.5213 to align # Constraint # added constraint: constraint((T0369)V16.CB, (T0369)R84.CB) [> 4.1698 = 6.9496 < 9.0345] w=0.5095 to align # Constraint # added constraint: constraint((T0369)T104.CB, (T0369)W116.CB) [> 4.0674 = 6.7790 < 8.8127] w=0.4932 to align # Constraint # added constraint: constraint((T0369)F100.CB, (T0369)S112.CB) [> 4.1273 = 6.8788 < 8.9425] w=0.4913 to align # Constraint # added constraint: constraint((T0369)A60.CB, (T0369)S88.CB) [> 4.3613 = 7.2688 < 9.4495] w=0.4874 to align # Constraint # added constraint: constraint((T0369)R20.CB, (T0369)L85.CB) [> 3.4019 = 5.6699 < 7.3709] w=0.4760 to align # Constraint # added constraint: constraint((T0369)D56.CB, (T0369)A65.CB) [> 3.8236 = 6.3726 < 8.2844] w=0.4742 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)V42.CB) [> 3.9659 = 6.6097 < 8.5927] w=0.4595 to align # Constraint # added constraint: constraint((T0369)T61.CB, (T0369)Y91.CB) [> 3.9544 = 6.5907 < 8.5679] w=0.4568 to align # Constraint # added constraint: constraint((T0369)L96.CB, (T0369)W116.CB) [> 4.1480 = 6.9134 < 8.9874] w=0.4478 to align # Constraint # added constraint: constraint((T0369)A60.CB, (T0369)Y91.CB) [> 3.2166 = 5.3610 < 6.9694] w=0.4457 to align # Constraint # added constraint: constraint((T0369)A50.CB, (T0369)L77.CB) [> 3.3873 = 5.6455 < 7.3391] w=0.4457 to align # Constraint # added constraint: constraint((T0369)V47.CB, (T0369)L77.CB) [> 3.6287 = 6.0479 < 7.8622] w=0.4457 to align # Constraint # added constraint: constraint((T0369)A46.CB, (T0369)L77.CB) [> 2.8127 = 4.6878 < 6.0941] w=0.4457 to align # Constraint # added constraint: constraint((T0369)H11.CB, (T0369)A121.CB) [> 3.1904 = 5.3174 < 6.9127] w=0.4457 to align # Constraint # added constraint: constraint((T0369)L96.CB, (T0369)T113.CB) [> 4.0020 = 6.6700 < 8.6710] w=0.4301 to align # Constraint # added constraint: constraint((T0369)H11.CB, (T0369)D56.CB) [> 3.7546 = 6.2576 < 8.1349] w=0.4243 to align # Constraint # added constraint: constraint((T0369)A55.CB, (T0369)A65.CB) [> 3.6473 = 6.0789 < 7.9025] w=0.4213 to align # Constraint # added constraint: constraint((T0369)E54.CB, (T0369)A69.CB) [> 3.6122 = 6.0204 < 7.8265] w=0.4141 to align # Constraint # added constraint: constraint((T0369)G15.CA, (T0369)L52.CB) [> 4.1480 = 6.9134 < 8.9874] w=0.4025 to align # Constraint # added constraint: constraint((T0369)P35.CB, (T0369)V45.CB) [> 3.7224 = 6.2039 < 8.0651] w=0.4015 to align # Constraint # added constraint: constraint((T0369)I36.CB, (T0369)L138.CB) [> 4.1445 = 6.9074 < 8.9797] w=0.4007 to align # Constraint # added constraint: constraint((T0369)Y92.CB, (T0369)W116.CB) [> 4.0026 = 6.6710 < 8.6723] w=0.3954 to align # Constraint # added constraint: constraint((T0369)I26.CB, (T0369)R84.CB) [> 3.9292 = 6.5487 < 8.5133] w=0.3864 to align # Constraint # added constraint: constraint((T0369)Y43.CB, (T0369)V74.CB) [> 3.5445 = 5.9075 < 7.6797] w=0.3862 to align # Constraint # added constraint: constraint((T0369)A46.CB, (T0369)L81.CB) [> 3.6330 = 6.0550 < 7.8715] w=0.3825 to align # Constraint # added constraint: constraint((T0369)Y72.CB, (T0369)L81.CB) [> 4.1079 = 6.8465 < 8.9004] w=0.3794 to align # Constraint # added constraint: constraint((T0369)I23.CB, (T0369)A55.CB) [> 3.6071 = 6.0118 < 7.8154] w=0.3790 to align # Constraint # added constraint: constraint((T0369)L52.CB, (T0369)A69.CB) [> 4.5337 = 7.5562 < 9.8231] w=0.3752 to align # Constraint # added constraint: constraint((T0369)F100.CB, (T0369)T114.CB) [> 2.6658 = 4.4430 < 5.7759] w=0.3651 to align # Constraint # added constraint: constraint((T0369)I36.CB, (T0369)L137.CB) [> 3.4080 = 5.6800 < 7.3839] w=0.3564 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)A46.CB) [> 4.4292 = 7.3819 < 9.5965] w=0.3537 to align # Constraint # added constraint: constraint((T0369)L8.CB, (T0369)L117.CB) [> 3.1190 = 5.1983 < 6.7578] w=0.3507 to align # Constraint # added constraint: constraint((T0369)I23.CB, (T0369)L81.CB) [> 3.1267 = 5.2112 < 6.7745] w=0.3481 to align # Constraint # added constraint: constraint((T0369)E54.CB, (T0369)L81.CB) [> 3.5485 = 5.9142 < 7.6884] w=0.3372 to align # Constraint # added constraint: constraint((T0369)I23.CB, (T0369)L52.CB) [> 3.6096 = 6.0160 < 7.8207] w=0.3368 to align # Constraint # added constraint: constraint((T0369)V47.CB, (T0369)Y72.CB) [> 3.1691 = 5.2818 < 6.8664] w=0.3343 to align # Constraint # added constraint: constraint((T0369)W31.CB, (T0369)A46.CB) [> 4.4209 = 7.3681 < 9.5786] w=0.3343 to align # Constraint # added constraint: constraint((T0369)P35.CB, (T0369)Y140.CB) [> 4.4207 = 7.3679 < 9.5782] w=0.3343 to align # Constraint # added constraint: constraint((T0369)K39.CB, (T0369)Y134.CB) [> 3.2085 = 5.3475 < 6.9518] w=0.3343 to align # Constraint # added constraint: constraint((T0369)D56.CB, (T0369)E119.CB) [> 4.5989 = 7.6648 < 9.9643] w=0.3343 to align # Constraint # added constraint: constraint((T0369)I59.CB, (T0369)T104.CB) [> 3.2487 = 5.4146 < 7.0390] w=0.3343 to align # Constraint # added constraint: constraint((T0369)G15.CA, (T0369)L85.CB) [> 3.8303 = 6.3838 < 8.2990] w=0.3343 to align # Constraint # added constraint: constraint((T0369)D9.CB, (T0369)L117.CB) [> 4.2728 = 7.1213 < 9.2577] w=0.3343 to align # Constraint # added constraint: constraint((T0369)D9.CB, (T0369)Q93.CB) [> 3.8599 = 6.4332 < 8.3632] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L8.CB, (T0369)A121.CB) [> 2.9775 = 4.9625 < 6.4512] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L8.CB, (T0369)L118.CB) [> 3.6093 = 6.0154 < 7.8201] w=0.3343 to align # Constraint # added constraint: constraint((T0369)Q5.CB, (T0369)T114.CB) [> 3.5656 = 5.9427 < 7.7256] w=0.3343 to align # Constraint # added constraint: constraint((T0369)Q5.CB, (T0369)Y92.CB) [> 4.7437 = 7.9061 < 10.2780] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L49.CB, (T0369)H123.CB) [> 4.7331 = 7.8885 < 10.2551] w=0.3343 to align # Constraint # added constraint: constraint((T0369)V45.CB, (T0369)Q130.CB) [> 3.6488 = 6.0813 < 7.9057] w=0.3343 to align # Constraint # added constraint: constraint((T0369)V42.CB, (T0369)Q130.CB) [> 4.7946 = 7.9911 < 10.3884] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L25.CB, (T0369)Y140.CB) [> 3.8756 = 6.4593 < 8.3971] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L25.CB, (T0369)L135.CB) [> 4.2638 = 7.1063 < 9.2382] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)L135.CB) [> 3.9743 = 6.6238 < 8.6110] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)L132.CB) [> 3.1025 = 5.1708 < 6.7221] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)R128.CB) [> 3.4995 = 5.8325 < 7.5823] w=0.3343 to align # Constraint # added constraint: constraint((T0369)L57.CB, (T0369)M68.CB) [> 3.3004 = 5.5006 < 7.1508] w=0.3231 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)A50.CB) [> 3.3541 = 5.5902 < 7.2672] w=0.3104 to align # Constraint # added constraint: constraint((T0369)T61.CB, (T0369)R95.CB) [> 3.9359 = 6.5599 < 8.5279] w=0.3066 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)V47.CB) [> 3.9316 = 6.5526 < 8.5184] w=0.3003 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)A55.CB) [> 3.6433 = 6.0722 < 7.8938] w=0.2967 to align # Constraint # added constraint: constraint((T0369)L8.CB, (T0369)L49.CB) [> 4.1261 = 6.8769 < 8.9399] w=0.2965 to align # Constraint # added constraint: constraint((T0369)S88.CB, (T0369)A120.CB) [> 4.3514 = 7.2523 < 9.4280] w=0.2812 to align # Constraint # added constraint: constraint((T0369)T104.CB, (T0369)T113.CB) [> 4.1261 = 6.8769 < 8.9399] w=0.2762 to align # Constraint # added constraint: constraint((T0369)L8.CB, (T0369)L52.CB) [> 3.9146 = 6.5244 < 8.4817] w=0.2601 to align # Constraint # added constraint: constraint((T0369)I59.CB, (T0369)A69.CB) [> 4.3941 = 7.3236 < 9.5207] w=0.2539 to align # Constraint # added constraint: constraint((T0369)L49.CB, (T0369)L117.CB) [> 3.3688 = 5.6147 < 7.2991] w=0.2399 to align # Constraint # added constraint: constraint((T0369)S41.CB, (T0369)Y72.CB) [> 2.9839 = 4.9731 < 6.4650] w=0.2331 to align # Constraint # added constraint: constraint((T0369)L57.CB, (T0369)R95.CB) [> 3.2946 = 5.4910 < 7.1383] w=0.2298 to align # Constraint # added constraint: constraint((T0369)Y92.CB, (T0369)T104.CB) [> 3.5873 = 5.9789 < 7.7725] w=0.2231 to align # Constraint # added constraint: constraint((T0369)D21.CB, (T0369)K143.CB) [> 2.3466 = 3.9109 < 5.0842] w=0.2228 to align # Constraint # added constraint: constraint((T0369)L49.CB, (T0369)R84.CB) [> 4.3665 = 7.2775 < 9.4608] w=0.2228 to align # Constraint # added constraint: constraint((T0369)A60.CB, (T0369)T104.CB) [> 3.5819 = 5.9698 < 7.7607] w=0.2228 to align # Constraint # added constraint: constraint((T0369)V47.CB, (T0369)V74.CB) [> 4.5828 = 7.6380 < 9.9294] w=0.2228 to align # Constraint # added constraint: constraint((T0369)F71.CB, (T0369)T104.CB) [> 3.6799 = 6.1331 < 7.9731] w=0.2228 to align # Constraint # added constraint: constraint((T0369)F71.CB, (T0369)T105.CB) [> 3.8378 = 6.3964 < 8.3153] w=0.2228 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)Y43.CB) [> 4.6194 = 7.6990 < 10.0087] w=0.2205 to align # Constraint # added constraint: constraint((T0369)R20.CB, (T0369)Y43.CB) [> 3.7715 = 6.2858 < 8.1716] w=0.2205 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)V45.CB) [> 3.8264 = 6.3773 < 8.2905] w=0.2082 to align # Constraint # added constraint: constraint((T0369)L131.CB, (T0369)I142.CB) [> 3.9745 = 6.6242 < 8.6115] w=0.2052 to align # Constraint # added constraint: constraint((T0369)L117.CB, (T0369)L135.CB) [> 3.8447 = 6.4078 < 8.3302] w=0.2051 to align # Constraint # added constraint: constraint((T0369)S88.CB, (T0369)Y106.CB) [> 3.8098 = 6.3497 < 8.2546] w=0.2022 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)H48.CB) [> 3.9169 = 6.5282 < 8.4867] w=0.1924 to align # Constraint # added constraint: constraint((T0369)V51.CB, (T0369)L81.CB) [> 3.2651 = 5.4418 < 7.0744] w=0.1891 to align # Constraint # added constraint: constraint((T0369)V109.CB, (T0369)L131.CB) [> 3.1563 = 5.2606 < 6.8387] w=0.1835 to align # Constraint # added constraint: constraint((T0369)E119.CB, (T0369)D133.CB) [> 3.7768 = 6.2947 < 8.1831] w=0.1798 to align # Constraint # added constraint: constraint((T0369)W89.CB, (T0369)Y106.CB) [> 3.1952 = 5.3253 < 6.9229] w=0.1788 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)H48.CB) [> 3.1668 = 5.2780 < 6.8614] w=0.1696 to align # Constraint # added constraint: constraint((T0369)S41.CB, (T0369)E103.CB) [> 3.9218 = 6.5364 < 8.4973] w=0.1643 to align # Constraint # added constraint: constraint((T0369)A120.CB, (T0369)D133.CB) [> 3.8107 = 6.3511 < 8.2565] w=0.1633 to align # Constraint # added constraint: constraint((T0369)I59.CB, (T0369)R84.CB) [> 3.2724 = 5.4540 < 7.0902] w=0.1608 to align # Constraint # added constraint: constraint((T0369)R58.CB, (T0369)L85.CB) [> 4.2870 = 7.1450 < 9.2885] w=0.1596 to align # Constraint # added constraint: constraint((T0369)Y72.CB, (T0369)T104.CB) [> 3.5593 = 5.9322 < 7.7118] w=0.1595 to align # Constraint # added constraint: constraint((T0369)E119.CB, (T0369)L132.CB) [> 3.7882 = 6.3136 < 8.2077] w=0.1577 to align # Constraint # added constraint: constraint((T0369)L118.CB, (T0369)L132.CB) [> 3.7018 = 6.1697 < 8.0206] w=0.1577 to align # Constraint # added constraint: constraint((T0369)A46.CB, (T0369)V82.CB) [> 4.6398 = 7.7331 < 10.0530] w=0.1557 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)S41.CB) [> 3.4004 = 5.6673 < 7.3674] w=0.1527 to align # Constraint # added constraint: constraint((T0369)L8.CB, (T0369)Y134.CB) [> 4.7493 = 7.9156 < 10.2902] w=0.1470 to align # Constraint # added constraint: constraint((T0369)H48.CB, (T0369)Y125.CB) [> 4.5394 = 7.5657 < 9.8354] w=0.1470 to align # Constraint # added constraint: constraint((T0369)H48.CB, (T0369)A65.CB) [> 3.8230 = 6.3717 < 8.2833] w=0.1340 to align # Constraint # added constraint: constraint((T0369)S88.CB, (T0369)L118.CB) [> 4.3162 = 7.1936 < 9.3518] w=0.1329 to align # Constraint # added constraint: constraint((T0369)I59.CB, (T0369)Y106.CB) [> 4.1706 = 6.9510 < 9.0363] w=0.1309 to align # Constraint # added constraint: constraint((T0369)Y43.CB, (T0369)E103.CB) [> 4.0135 = 6.6891 < 8.6959] w=0.1267 to align # Constraint # added constraint: constraint((T0369)T114.CB, (T0369)Y134.CB) [> 3.4467 = 5.7446 < 7.4680] w=0.1253 to align # Constraint # added constraint: constraint((T0369)T114.CB, (T0369)L135.CB) [> 4.5770 = 7.6283 < 9.9168] w=0.1253 to align # Constraint # added constraint: constraint((T0369)L117.CB, (T0369)L138.CB) [> 4.7700 = 7.9501 < 10.3351] w=0.1253 to align # Constraint # added constraint: constraint((T0369)L118.CB, (T0369)L138.CB) [> 3.4379 = 5.7298 < 7.4487] w=0.1253 to align # Constraint # added constraint: constraint((T0369)A121.CB, (T0369)L138.CB) [> 3.8723 = 6.4539 < 8.3900] w=0.1253 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)L81.CB) [> 4.1649 = 6.9414 < 9.0238] w=0.1203 to align # Constraint # added constraint: constraint((T0369)R84.CB, (T0369)Q130.CB) [> 3.2655 = 5.4425 < 7.0752] w=0.1164 to align # Constraint # added constraint: constraint((T0369)A65.CB, (T0369)Y106.CB) [> 2.2994 = 3.8323 < 4.9819] w=0.1114 to align # Constraint # added constraint: constraint((T0369)A73.CB, (T0369)W107.CB) [> 3.1496 = 5.2493 < 6.8241] w=0.1114 to align # Constraint # added constraint: constraint((T0369)W89.CB, (T0369)G115.CA) [> 4.0576 = 6.7627 < 8.7915] w=0.1109 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)V47.CB) [> 2.6455 = 4.4092 < 5.7320] w=0.1107 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)E44.CB) [> 3.8863 = 6.4771 < 8.4202] w=0.1083 to align # Constraint # added constraint: constraint((T0369)V47.CB, (T0369)L81.CB) [> 3.6471 = 6.0784 < 7.9020] w=0.1072 to align # Constraint # added constraint: constraint((T0369)E119.CB, (T0369)L137.CB) [> 3.2156 = 5.3593 < 6.9671] w=0.1023 to align # Constraint # added constraint: constraint((T0369)E119.CB, (T0369)N136.CB) [> 4.3745 = 7.2909 < 9.4782] w=0.1023 to align # Constraint # added constraint: constraint((T0369)L53.CB, (T0369)Y125.CB) [> 4.0216 = 6.7027 < 8.7134] w=0.0840 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)R84.CB) [> 4.6459 = 7.7432 < 10.0661] w=0.0835 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)V82.CB) [> 4.6217 = 7.7028 < 10.0136] w=0.0835 to align # Constraint # added constraint: constraint((T0369)A7.CB, (T0369)T18.CB) [> 2.6953 = 4.4921 < 5.8397] w=0.0835 to align # Constraint # added constraint: constraint((T0369)W4.CB, (T0369)V45.CB) [> 3.8919 = 6.4865 < 8.4324] w=0.0835 to align # Constraint # added constraint: constraint((T0369)W4.CB, (T0369)L22.CB) [> 3.1252 = 5.2087 < 6.7713] w=0.0835 to align # Constraint # added constraint: constraint((T0369)W89.CB, (T0369)T114.CB) [> 3.5404 = 5.9007 < 7.6709] w=0.0827 to align # Constraint # added constraint: constraint((T0369)S41.CB, (T0369)W107.CB) [> 3.9281 = 6.5469 < 8.5110] w=0.0818 to align # Constraint # added constraint: constraint((T0369)A121.CB, (T0369)L132.CB) [> 3.1627 = 5.2712 < 6.8525] w=0.0816 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)S88.CB) [> 3.8759 = 6.4598 < 8.3977] w=0.0798 to align # Constraint # added constraint: constraint((T0369)L118.CB, (T0369)L137.CB) [> 3.8102 = 6.3504 < 8.2555] w=0.0798 to align # Constraint # added constraint: constraint((T0369)V47.CB, (T0369)M68.CB) [> 4.5336 = 7.5559 < 9.8227] w=0.0798 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)S88.CB) [> 4.3626 = 7.2711 < 9.4524] w=0.0753 to align # Constraint # added constraint: constraint((T0369)Q130.CB, (T0369)L146.CB) [> 3.8930 = 6.4883 < 8.4349] w=0.0753 to align # Constraint # added constraint: constraint((T0369)L57.CB, (T0369)L146.CB) [> 4.2962 = 7.1603 < 9.3084] w=0.0753 to align # Constraint # added constraint: constraint((T0369)L81.CB, (T0369)A120.CB) [> 3.9778 = 6.6297 < 8.6187] w=0.0737 to align # Constraint # added constraint: constraint((T0369)S88.CB, (T0369)W107.CB) [> 3.9708 = 6.6181 < 8.6035] w=0.0737 to align # Constraint # added constraint: constraint((T0369)Q27.CB, (T0369)R84.CB) [> 4.5832 = 7.6387 < 9.9303] w=0.0735 to align # Constraint # added constraint: constraint((T0369)R40.CB, (T0369)L137.CB) [> 4.0072 = 6.6786 < 8.6822] w=0.0664 to align # Constraint # added constraint: constraint((T0369)H11.CB, (T0369)A120.CB) [> 4.5366 = 7.5610 < 9.8293] w=0.0664 to align # Constraint # added constraint: constraint((T0369)R84.CB, (T0369)L118.CB) [> 4.0125 = 6.6875 < 8.6938] w=0.0664 to align # Constraint # added constraint: constraint((T0369)L81.CB, (T0369)I142.CB) [> 4.2720 = 7.1199 < 9.2559] w=0.0664 to align # Constraint # added constraint: constraint((T0369)L81.CB, (T0369)L118.CB) [> 4.3884 = 7.3139 < 9.5081] w=0.0664 to align # Constraint # added constraint: constraint((T0369)W4.CB, (T0369)P78.CB) [> 4.4348 = 7.3914 < 9.6088] w=0.0618 to align # Constraint # added constraint: constraint((T0369)W4.CB, (T0369)L81.CB) [> 3.1716 = 5.2860 < 6.8718] w=0.0618 to align # Constraint # added constraint: constraint((T0369)H11.CB, (T0369)S88.CB) [> 4.6636 = 7.7727 < 10.1045] w=0.0618 to align # Constraint # added constraint: constraint((T0369)V122.CB, (T0369)Y134.CB) [> 4.0728 = 6.7880 < 8.8244] w=0.0598 to align # Constraint # added constraint: constraint((T0369)A55.CB, (T0369)R84.CB) [> 3.7615 = 6.2691 < 8.1499] w=0.0596 to align # Constraint # added constraint: constraint((T0369)S88.CB, (T0369)A121.CB) [> 4.2084 = 7.0140 < 9.1182] w=0.0584 to align # Constraint # added constraint: constraint((T0369)W4.CB, (T0369)V51.CB) [> 2.5702 = 4.2836 < 5.5687] w=0.0582 to align # Constraint # added constraint: constraint((T0369)A7.CB, (T0369)H48.CB) [> 4.3072 = 7.1787 < 9.3323] w=0.0582 to align # Constraint # added constraint: constraint((T0369)R128.CB, (T0369)L144.CB) [> 3.7844 = 6.3073 < 8.1995] w=0.0582 to align # Constraint # added constraint: constraint((T0369)L132.CB, (T0369)L144.CB) [> 3.0622 = 5.1037 < 6.6348] w=0.0582 to align # Constraint # added constraint: constraint((T0369)S88.CB, (T0369)V109.CB) [> 4.3658 = 7.2764 < 9.4593] w=0.0582 to align # Constraint # added constraint: constraint((T0369)A7.CB, (T0369)I59.CB) [> 3.5650 = 5.9416 < 7.7241] w=0.0549 to align # Constraint # added constraint: constraint((T0369)Y106.CB, (T0369)H123.CB) [> 2.9595 = 4.9325 < 6.4122] w=0.0409 to align # Constraint # added constraint: constraint((T0369)F71.CB, (T0369)A120.CB) [> 4.3904 = 7.3173 < 9.5126] w=0.0389 to align # Constraint # added constraint: constraint((T0369)W89.CB, (T0369)I142.CB) [> 3.9800 = 6.6334 < 8.6234] w=0.0374 to align # Constraint # added constraint: constraint((T0369)A50.CB, (T0369)V109.CB) [> 3.7920 = 6.3200 < 8.2161] w=0.0368 to align # Constraint # added constraint: constraint((T0369)L22.CB, (T0369)R84.CB) [> 2.6756 = 4.4593 < 5.7970] w=0.0368 to align # Constraint # added constraint: constraint((T0369)T19.CB, (T0369)E44.CB) [> 3.9647 = 6.6079 < 8.5902] w=0.0274 to align # Constraint # added constraint: constraint((T0369)A50.CB, (T0369)L138.CB) [> 3.5858 = 5.9763 < 7.7692] w=0.0225 to align # Constraint # added constraint: constraint((T0369)V122.CB, (T0369)I142.CB) [> 2.5935 = 4.3225 < 5.6192] w=0.0221 to align # Constraint # added constraint: constraint((T0369)V122.CB, (T0369)D133.CB) [> 3.3092 = 5.5154 < 7.1700] w=0.0221 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0369/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0369/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 66 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS1 # ReadConformPDB reading from PDB file servers/ABIpro_TS2.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS2 # ReadConformPDB reading from PDB file servers/ABIpro_TS3.pdb.gz looking for model 1 # Found a chain break before 104 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS3 # ReadConformPDB reading from PDB file servers/ABIpro_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS4 # ReadConformPDB reading from PDB file servers/ABIpro_TS5.pdb.gz looking for model 1 # Found a chain break before 141 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS3 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS4 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS5 # ReadConformPDB reading from PDB file servers/Distill_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS1 # ReadConformPDB reading from PDB file servers/Distill_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS2 # ReadConformPDB reading from PDB file servers/Distill_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS3 # ReadConformPDB reading from PDB file servers/Distill_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS4 # ReadConformPDB reading from PDB file servers/Distill_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Distill_TS5 # ReadConformPDB reading from PDB file servers/FAMSD_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FAMSD_TS5 # ReadConformPDB reading from PDB file servers/FAMS_TS1.pdb.gz looking for model 1 # Found a chain break before 115 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 87, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 109, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 307, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 415, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 417, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 419, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 421, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 525, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 559, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz Skipped atom 564, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL2 # ReadConformPDB reading from PDB file servers/FORTE1_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL3 # ReadConformPDB reading from PDB file servers/FORTE1_AL4.pdb.gz looking for model 1 Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL4.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 52, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 58, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 87, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 109, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 234, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 307, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 415, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 417, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 419, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 421, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 525, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 534, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 559, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 564, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL2 # ReadConformPDB reading from PDB file servers/FORTE2_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL3 # ReadConformPDB reading from PDB file servers/FORTE2_AL4.pdb.gz looking for model 1 Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 146, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 148, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 150, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 152, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 522, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 524, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 526, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz Skipped atom 528, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL4.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 103 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS1 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS2 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS3.pdb.gz looking for model 1 # naming current conformation FPSOLVER-SERVER_TS3 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 Skipped atom 2, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 4, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 6, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 8, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 47, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 81, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 223, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 406, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 409, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 515, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 540, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 545, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 76 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 87 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS2 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS3 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS4 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # Found a chain break before 111 # copying to AlignedFragments data structure # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 136 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 131 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 14 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS1 # ReadConformPDB reading from PDB file servers/MetaTasser_TS2.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS2 # ReadConformPDB reading from PDB file servers/MetaTasser_TS3.pdb.gz looking for model 1 # Found a chain break before 139 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS3 # ReadConformPDB reading from PDB file servers/MetaTasser_TS4.pdb.gz looking for model 1 # Found a chain break before 140 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 WARNING: atom 1 has residue number 27 < previous residue 148 in servers/POMYSL_TS1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 WARNING: atom 1 has residue number 27 < previous residue 148 in servers/POMYSL_TS2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # Found a chain break before 96 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 88 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS2 # ReadConformPDB reading from PDB file servers/Pcons6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Pcons6_TS5 # ReadConformPDB reading from PDB file servers/Phyre-1_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 80 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 106 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 116 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 110 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 27, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 33, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 67, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 209, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 399, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 509, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL1 # ReadConformPDB reading from PDB file servers/SAM-T02_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL2 # ReadConformPDB reading from PDB file servers/SAM-T02_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL3 # ReadConformPDB reading from PDB file servers/SAM-T02_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 37, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 66, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 71, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 88, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 213, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 398, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 400, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 407, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz Skipped atom 517, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL1.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 Skipped atom 31, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 84, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 97, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 171, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 369, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz Skipped atom 503, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL2.pdb.gz # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation SAM_T06_server_TS1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS2 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS3 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS4 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation SAM_T06_server_TS5 # ReadConformPDB reading from PDB file servers/SP3_TS1.pdb.gz looking for model 1 # Found a chain break before 114 # copying to AlignedFragments data structure # naming current conformation SP3_TS1 # ReadConformPDB reading from PDB file servers/SP3_TS2.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 69 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 73 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 97 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 107 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 70 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS1 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS2.pdb.gz looking for model 1 # Found a chain break before 133 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS2 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS3.pdb.gz looking for model 1 # Found a chain break before 108 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS4.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS4 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS5.pdb.gz looking for model 1 # Found a chain break before 102 # copying to AlignedFragments data structure # naming current conformation Zhang-Server_TS5 # ReadConformPDB reading from PDB file servers/beautshot_TS1.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation beautshot_TS1 # ReadConformPDB reading from PDB file servers/beautshotbase_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation beautshotbase_TS1 # ReadConformPDB reading from PDB file servers/forecast-s_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL3 # ReadConformPDB reading from PDB file servers/forecast-s_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL4 # ReadConformPDB reading from PDB file servers/forecast-s_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 90 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 71 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 119 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0369)G139.O and (T0369)Y140.N only 0.000 apart, marking (T0369)Y140.N as missing # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0369)Q90.O and (T0369)Y91.N only 0.000 apart, marking (T0369)Y91.N as missing # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 143 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 145 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0369)A63.N and (T0369)T64.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)T64.CA only 0.000 apart, marking (T0369)T64.CA as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)T64.CB only 0.000 apart, marking (T0369)T64.CB as missing WARNING: atoms too close: (T0369)A63.O and (T0369)T64.O only 0.000 apart, marking (T0369)T64.O as missing WARNING: atoms too close: (T0369)A63.C and (T0369)T64.C only 0.000 apart, marking (T0369)T64.C as missing WARNING: atoms too close: (T0369)T64.N and (T0369)A65.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)A65.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)A65.CA only 0.000 apart, marking (T0369)A65.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)A65.CA only 0.000 apart, marking (T0369)A65.CA as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)A65.CB only 0.000 apart, marking (T0369)A65.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)A65.CB only 0.000 apart, marking (T0369)A65.CB as missing WARNING: atoms too close: (T0369)T64.O and (T0369)A65.O only 0.000 apart, marking (T0369)A65.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)A65.O only 0.000 apart, marking (T0369)A65.O as missing WARNING: atoms too close: (T0369)T64.C and (T0369)A65.C only 0.000 apart, marking (T0369)A65.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)A65.C only 0.000 apart, marking (T0369)A65.C as missing WARNING: atoms too close: (T0369)A65.N and (T0369)D66.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)D66.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)D66.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)D66.CA only 0.000 apart, marking (T0369)D66.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)D66.CA only 0.000 apart, marking (T0369)D66.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)D66.CA only 0.000 apart, marking (T0369)D66.CA as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)D66.CB only 0.000 apart, marking (T0369)D66.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)D66.CB only 0.000 apart, marking (T0369)D66.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)D66.CB only 0.000 apart, marking (T0369)D66.CB as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)D66.CG only 0.000 apart, marking (T0369)D66.CG as missing WARNING: atoms too close: (T0369)A65.O and (T0369)D66.O only 0.000 apart, marking (T0369)D66.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)D66.O only 0.000 apart, marking (T0369)D66.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)D66.O only 0.000 apart, marking (T0369)D66.O as missing WARNING: atoms too close: (T0369)A65.C and (T0369)D66.C only 0.000 apart, marking (T0369)D66.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)D66.C only 0.000 apart, marking (T0369)D66.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)D66.C only 0.000 apart, marking (T0369)D66.C as missing WARNING: atoms too close: (T0369)D66.N and (T0369)E67.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)E67.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)E67.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)E67.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)E67.CA only 0.000 apart, marking (T0369)E67.CA as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)E67.CB only 0.000 apart, marking (T0369)E67.CB as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)E67.CG only 0.000 apart, marking (T0369)E67.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)E67.CG only 0.000 apart, marking (T0369)E67.CG as missing WARNING: atoms too close: (T0369)D66.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)E67.O only 0.000 apart, marking (T0369)E67.O as missing WARNING: atoms too close: (T0369)D66.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)E67.C only 0.000 apart, marking (T0369)E67.C as missing WARNING: atoms too close: (T0369)E67.N and (T0369)M68.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)M68.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)M68.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)M68.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)M68.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)M68.CA only 0.000 apart, marking (T0369)M68.CA as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)M68.CB only 0.000 apart, marking (T0369)M68.CB as missing WARNING: atoms too close: (T0369)E67.CG and (T0369)M68.CG only 0.000 apart, marking (T0369)M68.CG as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)M68.CG only 0.000 apart, marking (T0369)M68.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)M68.CG only 0.000 apart, marking (T0369)M68.CG as missing WARNING: atoms too close: (T0369)E67.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)M68.O only 0.000 apart, marking (T0369)M68.O as missing WARNING: atoms too close: (T0369)E67.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)M68.C only 0.000 apart, marking (T0369)M68.C as missing WARNING: atoms too close: (T0369)M68.N and (T0369)A69.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.N and (T0369)A69.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)A69.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)A69.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)A69.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)A69.N only 0.000 apart, marking (T0369)A69.N as missing WARNING: atoms too close: (T0369)M68.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)A69.CA only 0.000 apart, marking (T0369)A69.CA as missing WARNING: atoms too close: (T0369)M68.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)A69.CB only 0.000 apart, marking (T0369)A69.CB as missing WARNING: atoms too close: (T0369)M68.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)E67.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)A69.O only 0.000 apart, marking (T0369)A69.O as missing WARNING: atoms too close: (T0369)M68.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)E67.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)A69.C only 0.000 apart, marking (T0369)A69.C as missing WARNING: atoms too close: (T0369)A69.N and (T0369)Q70.N only 0.000 apart, marking (T0369)A69.N as missing WARNING: atoms too close: (T0369)M68.N and (T0369)Q70.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.N and (T0369)Q70.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)Q70.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)Q70.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)Q70.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)Q70.N only 0.000 apart, marking (T0369)Q70.N as missing WARNING: atoms too close: (T0369)A69.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)M68.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)Q70.CA only 0.000 apart, marking (T0369)Q70.CA as missing WARNING: atoms too close: (T0369)A69.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)M68.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)Q70.CB only 0.000 apart, marking (T0369)Q70.CB as missing WARNING: atoms too close: (T0369)M68.CG and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)E67.CG and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)Q70.CG only 0.000 apart, marking (T0369)Q70.CG as missing WARNING: atoms too close: (T0369)E67.CD and (T0369)Q70.CD only 0.000 apart, marking (T0369)Q70.CD as missing WARNING: atoms too close: (T0369)A69.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)M68.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)E67.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)Q70.O only 0.000 apart, marking (T0369)Q70.O as missing WARNING: atoms too close: (T0369)A69.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)M68.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)E67.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)Q70.C only 0.000 apart, marking (T0369)Q70.C as missing WARNING: atoms too close: (T0369)Q70.N and (T0369)F71.N only 0.000 apart, marking (T0369)Q70.N as missing WARNING: atoms too close: (T0369)A69.N and (T0369)F71.N only 0.000 apart, marking (T0369)A69.N as missing WARNING: atoms too close: (T0369)M68.N and (T0369)F71.N only 0.000 apart, marking (T0369)M68.N as missing WARNING: atoms too close: (T0369)E67.N and (T0369)F71.N only 0.000 apart, marking (T0369)E67.N as missing WARNING: atoms too close: (T0369)D66.N and (T0369)F71.N only 0.000 apart, marking (T0369)D66.N as missing WARNING: atoms too close: (T0369)A65.N and (T0369)F71.N only 0.000 apart, marking (T0369)A65.N as missing WARNING: atoms too close: (T0369)T64.N and (T0369)F71.N only 0.000 apart, marking (T0369)T64.N as missing WARNING: atoms too close: (T0369)A63.N and (T0369)F71.N only 0.000 apart, marking (T0369)F71.N as missing WARNING: atoms too close: (T0369)Q70.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)A69.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)M68.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)E67.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)D66.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)A65.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)T64.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)A63.CA and (T0369)F71.CA only 0.000 apart, marking (T0369)F71.CA as missing WARNING: atoms too close: (T0369)Q70.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)A69.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)M68.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)E67.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)D66.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)A65.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)T64.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)A63.CB and (T0369)F71.CB only 0.000 apart, marking (T0369)F71.CB as missing WARNING: atoms too close: (T0369)Q70.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)M68.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)E67.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)D66.CG and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)T64.CG2 and (T0369)F71.CG only 0.000 apart, marking (T0369)F71.CG as missing WARNING: atoms too close: (T0369)Q70.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)A69.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)M68.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)E67.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)D66.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)A65.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)T64.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)A63.O and (T0369)F71.O only 0.000 apart, marking (T0369)F71.O as missing WARNING: atoms too close: (T0369)Q70.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)A69.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)M68.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)E67.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)D66.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)A65.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)T64.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing WARNING: atoms too close: (T0369)A63.C and (T0369)F71.C only 0.000 apart, marking (T0369)F71.C as missing # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0369 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Using models AND alignments for constraints model score 2.1219 model score 2.0627 model score 1.9724 model score 2.3977 model score 2.4181 model score 0.3803 model score 0.3887 model score 0.3887 model score 0.3887 model score 0.5413 model score 0.3887 model score 2.0263 model score 2.2469 model score 1.8104 model score 1.9433 model score 1.6750 model score 1.9661 model score 1.5859 model score 1.8966 model score 2.0875 model score 1.5859 model score 1.6750 model score 1.4737 model score 1.9375 model score 1.7609 model score 0.0808 model score 0.3563 model score 0.7699 model score 1.9586 model score 0.3896 model score 0.3717 model score 0.3722 model score 2.5902 model score 1.7225 model score 2.1949 model score 1.8497 model score 1.6649 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.3684 model score 0.3717 model score 1.4592 model score 0.0957 model score 1.4733 model score 0.0820 model score 0.3896 model score 0.3896 model score 0.0957 model score 0.3717 model score 0.5990 model score 2.2355 model score 1.7803 model score 2.2531 model score 2.0307 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.3022 model score 1.8751 model score 2.1703 model score 1.9960 model score 2.3179 model score 0.3065 model score 0.9004 model score 2.1970 model score 2.0564 model score 2.2829 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.3876 model score 0.0828 model score 1.4699 model score 1.8967 model score 1.7681 model score 1.1940 model score 1.9615 model score 2.5232 model score 1.9649 model score 2.5069 model score -0.0114 model score -0.0133 model score -0.0887 model score 0.1038 model score 0.5452 model score 0.0705 model score 0.0815 model score 0.0797 model score 2.0180 model score 1.7554 model score 1.5578 model score 0.6261 model score 1.4825 model score 1.9852 model score 1.8380 model score 1.1462 model score 1.6933 model score 0.6058 model score 1.2771 model score 0.9062 model score 0.5881 model score 1.6363 model score 1.8558 model score 1.8126 model score 0.9062 model score 0.5996 model score 1.8522 model score 1.9681 model score 1.7360 model score 0.0954 model score 0.0874 model score 0.1311 model score 0.3634 model score 0.0647 model score 0.4915 model score 1.4725 model score 1.4647 model score 2.0988 model score 1.5896 model score 1.9018 model score 0.4461 model score 0.4376 model score 0.4147 model score 0.4641 model score 1.7445 model score 1.7494 model score 1.7683 model score 1.9598 model score 0.6263 model score 0.4461 model score 0.4695 model score 0.3598 model score 0.4695 model score 0.4505 model score -0.0474 model score 0.7545 model score 0.3741 model score 0.5575 model score 0.4954 model score 0.5024 model score 0.5401 model score 0.1283 model score 0.1579 model score 0.1993 model score 0.5602 model score 0.0953 model score 0.2464 model score 0.3420 model score 0.1171 model score 0.2439 model score 0.4195 model score 1.7777 model score 0.2113 model score 1.7037 model score 1.7653 model score 1.9253 model score 1.7789 model score 0.1736 model score 1.6522 model score 1.7450 model score 1.9160 model score 0.1993 model score 0.1579 model score 0.4014 model score 0.3870 model score 0.4473 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.8725 model score 0.3055 model score 0.0563 model score 1.2551 model score 1.1771 model score 0.2439 model score 1.3470 model score 1.7350 model score 1.7580 model score 1.8161 model score 0.3202 model score 0.6307 model score 1.8676 model score 1.8502 model score 1.7580 model score 0.2359 model score 2.0682 model score 2.0541 model score 2.0144 model score 2.0660 model score 1.2771 model score 0.0971 model score 1.2771 model score 0.0459 model score 0.1028 model score 0.1413 model score -0.0341 model score 0.1300 model score 0.3132 model score 0.3048 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.9003 model score 2.3433 model score 2.1815 model score 1.9821 model score 1.8756 model score 2.2480 model score 2.3016 model score 2.2016 model score 2.0504 model score 2.2656 model score 1.1207 model score 1.7240 model score 1.5622 model score 1.4951 model score 1.4578 model score 0.5579 model score 0.7543 model score 0.5711 model score 1.3096 model score 0.4522 model score 0.3399 model score 0.4915 model score 2.0908 model score 2.2573 model score 1.4856 model score 1.6376 model score 1.4925 model score 0.2152 USE_META, weight: 0.2573 cost: 2.1219 min: -0.0887 max: 2.5902 USE_META, weight: 0.2772 cost: 2.0627 min: -0.0887 max: 2.5902 USE_META, weight: 0.3076 cost: 1.9724 min: -0.0887 max: 2.5902 USE_META, weight: 0.1647 cost: 2.3977 min: -0.0887 max: 2.5902 USE_META, weight: 0.1578 cost: 2.4181 min: -0.0887 max: 2.5902 USE_META, weight: 0.8424 cost: 0.3803 min: -0.0887 max: 2.5902 USE_META, weight: 0.8396 cost: 0.3887 min: -0.0887 max: 2.5902 USE_META, weight: 0.8396 cost: 0.3887 min: -0.0887 max: 2.5902 USE_META, weight: 0.8396 cost: 0.3887 min: -0.0887 max: 2.5902 USE_META, weight: 0.7884 cost: 0.5413 min: -0.0887 max: 2.5902 USE_META, weight: 0.8396 cost: 0.3887 min: -0.0887 max: 2.5902 USE_META, weight: 0.2894 cost: 2.0263 min: -0.0887 max: 2.5902 USE_META, weight: 0.2153 cost: 2.2469 min: -0.0887 max: 2.5902 USE_META, weight: 0.3620 cost: 1.8104 min: -0.0887 max: 2.5902 USE_META, weight: 0.3173 cost: 1.9433 min: -0.0887 max: 2.5902 USE_META, weight: 0.4075 cost: 1.6750 min: -0.0887 max: 2.5902 USE_META, weight: 0.3097 cost: 1.9661 min: -0.0887 max: 2.5902 USE_META, weight: 0.4374 cost: 1.5859 min: -0.0887 max: 2.5902 USE_META, weight: 0.3330 cost: 1.8966 min: -0.0887 max: 2.5902 USE_META, weight: 0.2689 cost: 2.0875 min: -0.0887 max: 2.5902 USE_META, weight: 0.4374 cost: 1.5859 min: -0.0887 max: 2.5902 USE_META, weight: 0.4075 cost: 1.6750 min: -0.0887 max: 2.5902 USE_META, weight: 0.4751 cost: 1.4737 min: -0.0887 max: 2.5902 USE_META, weight: 0.3193 cost: 1.9375 min: -0.0887 max: 2.5902 USE_META, weight: 0.3786 cost: 1.7609 min: -0.0887 max: 2.5902 USE_META, weight: 0.9431 cost: 0.0808 min: -0.0887 max: 2.5902 USE_META, weight: 0.8505 cost: 0.3563 min: -0.0887 max: 2.5902 USE_META, weight: 0.7116 cost: 0.7699 min: -0.0887 max: 2.5902 USE_META, weight: 0.3122 cost: 1.9586 min: -0.0887 max: 2.5902 USE_META, weight: 0.8393 cost: 0.3896 min: -0.0887 max: 2.5902 USE_META, weight: 0.8453 cost: 0.3717 min: -0.0887 max: 2.5902 USE_META, weight: 0.8452 cost: 0.3722 min: -0.0887 max: 2.5902 USE_META, weight: 0.1000 cost: 2.5902 min: -0.0887 max: 2.5902 USE_META, weight: 0.3915 cost: 1.7225 min: -0.0887 max: 2.5902 USE_META, weight: 0.2328 cost: 2.1949 min: -0.0887 max: 2.5902 USE_META, weight: 0.3488 cost: 1.8497 min: -0.0887 max: 2.5902 USE_META, weight: 0.4109 cost: 1.6649 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.8465 cost: 0.3684 min: -0.0887 max: 2.5902 USE_META, weight: 0.8453 cost: 0.3717 min: -0.0887 max: 2.5902 USE_META, weight: 0.4800 cost: 1.4592 min: -0.0887 max: 2.5902 USE_META, weight: 0.9381 cost: 0.0957 min: -0.0887 max: 2.5902 USE_META, weight: 0.4752 cost: 1.4733 min: -0.0887 max: 2.5902 USE_META, weight: 0.9427 cost: 0.0820 min: -0.0887 max: 2.5902 USE_META, weight: 0.8393 cost: 0.3896 min: -0.0887 max: 2.5902 USE_META, weight: 0.8393 cost: 0.3896 min: -0.0887 max: 2.5902 USE_META, weight: 0.9381 cost: 0.0957 min: -0.0887 max: 2.5902 USE_META, weight: 0.8453 cost: 0.3717 min: -0.0887 max: 2.5902 USE_META, weight: 0.7690 cost: 0.5990 min: -0.0887 max: 2.5902 USE_META, weight: 0.2192 cost: 2.2355 min: -0.0887 max: 2.5902 USE_META, weight: 0.3721 cost: 1.7803 min: -0.0887 max: 2.5902 USE_META, weight: 0.2133 cost: 2.2531 min: -0.0887 max: 2.5902 USE_META, weight: 0.2880 cost: 2.0307 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.1968 cost: 2.3022 min: -0.0887 max: 2.5902 USE_META, weight: 0.3402 cost: 1.8751 min: -0.0887 max: 2.5902 USE_META, weight: 0.2411 cost: 2.1703 min: -0.0887 max: 2.5902 USE_META, weight: 0.2996 cost: 1.9960 min: -0.0887 max: 2.5902 USE_META, weight: 0.1915 cost: 2.3179 min: -0.0887 max: 2.5902 USE_META, weight: 0.8672 cost: 0.3065 min: -0.0887 max: 2.5902 USE_META, weight: 0.6677 cost: 0.9004 min: -0.0887 max: 2.5902 USE_META, weight: 0.2321 cost: 2.1970 min: -0.0887 max: 2.5902 USE_META, weight: 0.2794 cost: 2.0564 min: -0.0887 max: 2.5902 USE_META, weight: 0.2033 cost: 2.2829 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.8400 cost: 0.3876 min: -0.0887 max: 2.5902 USE_META, weight: 0.9424 cost: 0.0828 min: -0.0887 max: 2.5902 USE_META, weight: 0.4764 cost: 1.4699 min: -0.0887 max: 2.5902 USE_META, weight: 0.3330 cost: 1.8967 min: -0.0887 max: 2.5902 USE_META, weight: 0.3762 cost: 1.7681 min: -0.0887 max: 2.5902 USE_META, weight: 0.5691 cost: 1.1940 min: -0.0887 max: 2.5902 USE_META, weight: 0.3112 cost: 1.9615 min: -0.0887 max: 2.5902 USE_META, weight: 0.1225 cost: 2.5232 min: -0.0887 max: 2.5902 USE_META, weight: 0.3101 cost: 1.9649 min: -0.0887 max: 2.5902 USE_META, weight: 0.1280 cost: 2.5069 min: -0.0887 max: 2.5902 USE_META, weight: 0.9740 cost: -0.0114 min: -0.0887 max: 2.5902 USE_META, weight: 0.9747 cost: -0.0133 min: -0.0887 max: 2.5902 USE_META, weight: 1.0000 cost: -0.0887 min: -0.0887 max: 2.5902 USE_META, weight: 0.9353 cost: 0.1038 min: -0.0887 max: 2.5902 USE_META, weight: 0.7871 cost: 0.5452 min: -0.0887 max: 2.5902 USE_META, weight: 0.9465 cost: 0.0705 min: -0.0887 max: 2.5902 USE_META, weight: 0.9428 cost: 0.0815 min: -0.0887 max: 2.5902 USE_META, weight: 0.9435 cost: 0.0797 min: -0.0887 max: 2.5902 USE_META, weight: 0.2922 cost: 2.0180 min: -0.0887 max: 2.5902 USE_META, weight: 0.3805 cost: 1.7554 min: -0.0887 max: 2.5902 USE_META, weight: 0.4469 cost: 1.5578 min: -0.0887 max: 2.5902 USE_META, weight: 0.7599 cost: 0.6261 min: -0.0887 max: 2.5902 USE_META, weight: 0.4722 cost: 1.4825 min: -0.0887 max: 2.5902 USE_META, weight: 0.3033 cost: 1.9852 min: -0.0887 max: 2.5902 USE_META, weight: 0.3527 cost: 1.8380 min: -0.0887 max: 2.5902 USE_META, weight: 0.5851 cost: 1.1462 min: -0.0887 max: 2.5902 USE_META, weight: 0.4013 cost: 1.6933 min: -0.0887 max: 2.5902 USE_META, weight: 0.7667 cost: 0.6058 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.6658 cost: 0.9062 min: -0.0887 max: 2.5902 USE_META, weight: 0.7726 cost: 0.5881 min: -0.0887 max: 2.5902 USE_META, weight: 0.4205 cost: 1.6363 min: -0.0887 max: 2.5902 USE_META, weight: 0.3467 cost: 1.8558 min: -0.0887 max: 2.5902 USE_META, weight: 0.3613 cost: 1.8126 min: -0.0887 max: 2.5902 USE_META, weight: 0.6658 cost: 0.9062 min: -0.0887 max: 2.5902 USE_META, weight: 0.7688 cost: 0.5996 min: -0.0887 max: 2.5902 USE_META, weight: 0.3479 cost: 1.8522 min: -0.0887 max: 2.5902 USE_META, weight: 0.3090 cost: 1.9681 min: -0.0887 max: 2.5902 USE_META, weight: 0.3870 cost: 1.7360 min: -0.0887 max: 2.5902 USE_META, weight: 0.9382 cost: 0.0954 min: -0.0887 max: 2.5902 USE_META, weight: 0.9408 cost: 0.0874 min: -0.0887 max: 2.5902 USE_META, weight: 0.9262 cost: 0.1311 min: -0.0887 max: 2.5902 USE_META, weight: 0.8481 cost: 0.3634 min: -0.0887 max: 2.5902 USE_META, weight: 0.9485 cost: 0.0647 min: -0.0887 max: 2.5902 USE_META, weight: 0.8051 cost: 0.4915 min: -0.0887 max: 2.5902 USE_META, weight: 0.4755 cost: 1.4725 min: -0.0887 max: 2.5902 USE_META, weight: 0.4781 cost: 1.4647 min: -0.0887 max: 2.5902 USE_META, weight: 0.2651 cost: 2.0988 min: -0.0887 max: 2.5902 USE_META, weight: 0.4362 cost: 1.5896 min: -0.0887 max: 2.5902 USE_META, weight: 0.3313 cost: 1.9018 min: -0.0887 max: 2.5902 USE_META, weight: 0.8203 cost: 0.4461 min: -0.0887 max: 2.5902 USE_META, weight: 0.8232 cost: 0.4376 min: -0.0887 max: 2.5902 USE_META, weight: 0.8309 cost: 0.4147 min: -0.0887 max: 2.5902 USE_META, weight: 0.8143 cost: 0.4641 min: -0.0887 max: 2.5902 USE_META, weight: 0.3841 cost: 1.7445 min: -0.0887 max: 2.5902 USE_META, weight: 0.3825 cost: 1.7494 min: -0.0887 max: 2.5902 USE_META, weight: 0.3761 cost: 1.7683 min: -0.0887 max: 2.5902 USE_META, weight: 0.3118 cost: 1.9598 min: -0.0887 max: 2.5902 USE_META, weight: 0.7598 cost: 0.6263 min: -0.0887 max: 2.5902 USE_META, weight: 0.8203 cost: 0.4461 min: -0.0887 max: 2.5902 USE_META, weight: 0.8125 cost: 0.4695 min: -0.0887 max: 2.5902 USE_META, weight: 0.8493 cost: 0.3598 min: -0.0887 max: 2.5902 USE_META, weight: 0.8125 cost: 0.4695 min: -0.0887 max: 2.5902 USE_META, weight: 0.8189 cost: 0.4505 min: -0.0887 max: 2.5902 USE_META, weight: 0.9861 cost: -0.0474 min: -0.0887 max: 2.5902 USE_META, weight: 0.7167 cost: 0.7545 min: -0.0887 max: 2.5902 USE_META, weight: 0.8445 cost: 0.3741 min: -0.0887 max: 2.5902 USE_META, weight: 0.7829 cost: 0.5575 min: -0.0887 max: 2.5902 USE_META, weight: 0.8038 cost: 0.4954 min: -0.0887 max: 2.5902 USE_META, weight: 0.8014 cost: 0.5024 min: -0.0887 max: 2.5902 USE_META, weight: 0.7888 cost: 0.5401 min: -0.0887 max: 2.5902 USE_META, weight: 0.9271 cost: 0.1283 min: -0.0887 max: 2.5902 USE_META, weight: 0.9172 cost: 0.1579 min: -0.0887 max: 2.5902 USE_META, weight: 0.9032 cost: 0.1993 min: -0.0887 max: 2.5902 USE_META, weight: 0.7820 cost: 0.5602 min: -0.0887 max: 2.5902 USE_META, weight: 0.9382 cost: 0.0953 min: -0.0887 max: 2.5902 USE_META, weight: 0.8874 cost: 0.2464 min: -0.0887 max: 2.5902 USE_META, weight: 0.8553 cost: 0.3420 min: -0.0887 max: 2.5902 USE_META, weight: 0.9309 cost: 0.1171 min: -0.0887 max: 2.5902 USE_META, weight: 0.8883 cost: 0.2439 min: -0.0887 max: 2.5902 USE_META, weight: 0.8293 cost: 0.4195 min: -0.0887 max: 2.5902 USE_META, weight: 0.3730 cost: 1.7777 min: -0.0887 max: 2.5902 USE_META, weight: 0.8992 cost: 0.2113 min: -0.0887 max: 2.5902 USE_META, weight: 0.3978 cost: 1.7037 min: -0.0887 max: 2.5902 USE_META, weight: 0.3771 cost: 1.7653 min: -0.0887 max: 2.5902 USE_META, weight: 0.3234 cost: 1.9253 min: -0.0887 max: 2.5902 USE_META, weight: 0.3726 cost: 1.7789 min: -0.0887 max: 2.5902 USE_META, weight: 0.9119 cost: 0.1736 min: -0.0887 max: 2.5902 USE_META, weight: 0.4151 cost: 1.6522 min: -0.0887 max: 2.5902 USE_META, weight: 0.3840 cost: 1.7450 min: -0.0887 max: 2.5902 USE_META, weight: 0.3265 cost: 1.9160 min: -0.0887 max: 2.5902 USE_META, weight: 0.9032 cost: 0.1993 min: -0.0887 max: 2.5902 USE_META, weight: 0.9172 cost: 0.1579 min: -0.0887 max: 2.5902 USE_META, weight: 0.8353 cost: 0.4014 min: -0.0887 max: 2.5902 USE_META, weight: 0.8402 cost: 0.3870 min: -0.0887 max: 2.5902 USE_META, weight: 0.8199 cost: 0.4473 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.3411 cost: 1.8725 min: -0.0887 max: 2.5902 USE_META, weight: 0.8676 cost: 0.3055 min: -0.0887 max: 2.5902 USE_META, weight: 0.9513 cost: 0.0563 min: -0.0887 max: 2.5902 USE_META, weight: 0.5486 cost: 1.2551 min: -0.0887 max: 2.5902 USE_META, weight: 0.5748 cost: 1.1771 min: -0.0887 max: 2.5902 USE_META, weight: 0.8883 cost: 0.2439 min: -0.0887 max: 2.5902 USE_META, weight: 0.5177 cost: 1.3470 min: -0.0887 max: 2.5902 USE_META, weight: 0.3873 cost: 1.7350 min: -0.0887 max: 2.5902 USE_META, weight: 0.3796 cost: 1.7580 min: -0.0887 max: 2.5902 USE_META, weight: 0.3601 cost: 1.8161 min: -0.0887 max: 2.5902 USE_META, weight: 0.8627 cost: 0.3202 min: -0.0887 max: 2.5902 USE_META, weight: 0.7583 cost: 0.6307 min: -0.0887 max: 2.5902 USE_META, weight: 0.3428 cost: 1.8676 min: -0.0887 max: 2.5902 USE_META, weight: 0.3486 cost: 1.8502 min: -0.0887 max: 2.5902 USE_META, weight: 0.3796 cost: 1.7580 min: -0.0887 max: 2.5902 USE_META, weight: 0.8910 cost: 0.2359 min: -0.0887 max: 2.5902 USE_META, weight: 0.2754 cost: 2.0682 min: -0.0887 max: 2.5902 USE_META, weight: 0.2801 cost: 2.0541 min: -0.0887 max: 2.5902 USE_META, weight: 0.2935 cost: 2.0144 min: -0.0887 max: 2.5902 USE_META, weight: 0.2761 cost: 2.0660 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.9376 cost: 0.0971 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.9548 cost: 0.0459 min: -0.0887 max: 2.5902 USE_META, weight: 0.9357 cost: 0.1028 min: -0.0887 max: 2.5902 USE_META, weight: 0.9228 cost: 0.1413 min: -0.0887 max: 2.5902 USE_META, weight: 0.9817 cost: -0.0341 min: -0.0887 max: 2.5902 USE_META, weight: 0.9265 cost: 0.1300 min: -0.0887 max: 2.5902 USE_META, weight: 0.8650 cost: 0.3132 min: -0.0887 max: 2.5902 USE_META, weight: 0.8678 cost: 0.3048 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.5412 cost: 1.2771 min: -0.0887 max: 2.5902 USE_META, weight: 0.3318 cost: 1.9003 min: -0.0887 max: 2.5902 USE_META, weight: 0.1830 cost: 2.3433 min: -0.0887 max: 2.5902 USE_META, weight: 0.2373 cost: 2.1815 min: -0.0887 max: 2.5902 USE_META, weight: 0.3043 cost: 1.9821 min: -0.0887 max: 2.5902 USE_META, weight: 0.3401 cost: 1.8756 min: -0.0887 max: 2.5902 USE_META, weight: 0.2150 cost: 2.2480 min: -0.0887 max: 2.5902 USE_META, weight: 0.1970 cost: 2.3016 min: -0.0887 max: 2.5902 USE_META, weight: 0.2306 cost: 2.2016 min: -0.0887 max: 2.5902 USE_META, weight: 0.2814 cost: 2.0504 min: -0.0887 max: 2.5902 USE_META, weight: 0.2091 cost: 2.2656 min: -0.0887 max: 2.5902 USE_META, weight: 0.5937 cost: 1.1207 min: -0.0887 max: 2.5902 USE_META, weight: 0.3910 cost: 1.7240 min: -0.0887 max: 2.5902 USE_META, weight: 0.4454 cost: 1.5622 min: -0.0887 max: 2.5902 USE_META, weight: 0.4679 cost: 1.4951 min: -0.0887 max: 2.5902 USE_META, weight: 0.4805 cost: 1.4578 min: -0.0887 max: 2.5902 USE_META, weight: 0.7828 cost: 0.5579 min: -0.0887 max: 2.5902 USE_META, weight: 0.7168 cost: 0.7543 min: -0.0887 max: 2.5902 USE_META, weight: 0.7784 cost: 0.5711 min: -0.0887 max: 2.5902 USE_META, weight: 0.5302 cost: 1.3096 min: -0.0887 max: 2.5902 USE_META, weight: 0.8183 cost: 0.4522 min: -0.0887 max: 2.5902 USE_META, weight: 0.8560 cost: 0.3399 min: -0.0887 max: 2.5902 USE_META, weight: 0.8051 cost: 0.4915 min: -0.0887 max: 2.5902 USE_META, weight: 0.2678 cost: 2.0908 min: -0.0887 max: 2.5902 USE_META, weight: 0.2119 cost: 2.2573 min: -0.0887 max: 2.5902 USE_META, weight: 0.4711 cost: 1.4856 min: -0.0887 max: 2.5902 USE_META, weight: 0.4201 cost: 1.6376 min: -0.0887 max: 2.5902 USE_META, weight: 0.4688 cost: 1.4925 min: -0.0887 max: 2.5902 USE_META, weight: 0.8979 cost: 0.2152 min: -0.0887 max: 2.5902 USE_EVALUE, weight: 0.1479 eval: 20.6520 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1479 eval: 20.6520 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1479 eval: 20.6520 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.6596 eval: 8.2500 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.6596 eval: 8.2500 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.6596 eval: 8.2500 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2462 eval: 18.2680 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2462 eval: 18.2680 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2462 eval: 18.2680 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 1.0000 eval: 0.0000 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3670 eval: 15.3400 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3670 eval: 15.3400 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3670 eval: 15.3400 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1000 eval: 21.8120 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1000 eval: 21.8120 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1000 eval: 21.8120 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3306 eval: 16.2240 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3306 eval: 16.2240 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3306 eval: 16.2240 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1986 eval: 19.4220 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1986 eval: 19.4220 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1986 eval: 19.4220 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1212 eval: 21.2990 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1212 eval: 21.2990 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1212 eval: 21.2990 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3378 eval: 16.0490 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3378 eval: 16.0490 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3378 eval: 16.0490 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2022 eval: 19.3350 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2022 eval: 19.3350 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2022 eval: 19.3350 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2771 eval: 17.5190 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2771 eval: 17.5190 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2771 eval: 17.5190 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1677 eval: 20.1710 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1677 eval: 20.1710 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1677 eval: 20.1710 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1747 eval: 20.0020 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1747 eval: 20.0020 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.1747 eval: 20.0020 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.7163 eval: 6.8757 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.7163 eval: 6.8757 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.7163 eval: 6.8757 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3748 eval: 15.1530 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3748 eval: 15.1530 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.3748 eval: 15.1530 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.4311 eval: 13.7880 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.4311 eval: 13.7880 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.4311 eval: 13.7880 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2826 eval: 17.3870 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2826 eval: 17.3870 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.2826 eval: 17.3870 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.5222 eval: 11.5790 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.5222 eval: 11.5790 min: 0.0000 max: 21.8120 USE_EVALUE, weight: 0.5222 eval: 11.5790 min: 0.0000 max: 21.8120 Number of contacts in models: 253 Number of contacts in alignments: 60 NUMB_ALIGNS: 60 Adding 7567 constraints to all3.constraints Done adding distance constraints # command:Reading probabilities from probabilities.dat Reading constraints from ConstraintSet all3.constraints maxweight: 1.0000 Optimizing... Probability sum: -256.7656, CN propb: -256.7656 weights: 0.3374 constraints: 247 # command:Found ConstraintSet # PrintContacts align.constraints_meta03 Number of constraints in align3.constraints 247 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta03 Number of constraints in align3.constraints.bonus 247 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta03 Number of constraints in rejected3.constraints 7320 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta03 Number of constraints in rejected3.constraints.bonus 7320 # command:Found ConstraintSet # PrintContacts non_contacts.constraints_meta03 Number of constraints in noncontact3.constraints 0 # command:Found ConstraintSet # PrintContacts non_contacts_bonus.constraints_meta03 Number of constraints in noncontact3.constraints.bonus 0 # command:Found ConstraintSet # PrintContacts all.constraints_meta03 Number of constraints in all3.constraints 7567 # command: