# 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/T0329/ # command:# Making conformation for sequence T0329 numbered 1 through 239 Created new target T0329 from T0329.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0329/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0329//projects/compbio/experiments/protein-predict/casp7/T0329/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0329//projects/compbio/experiments/protein-predict/casp7/T0329/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0329/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0329/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((T0329)I7.CB, (T0329)I187.CB) [> 4.2716 = 7.1194 < 9.2552] w=1.0000 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)Y186.CB) [> 2.8959 = 4.8265 < 6.2744] w=1.0000 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)V185.CB) [> 4.1898 = 6.9830 < 9.0780] w=0.9979 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)V185.CB) [> 2.9950 = 4.9916 < 6.4891] w=0.9979 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)I187.CB) [> 4.0933 = 6.8221 < 8.8688] w=0.9788 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)V185.CB) [> 4.3785 = 7.2975 < 9.4868] w=0.9768 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)C184.CB) [> 3.7419 = 6.2365 < 8.1074] w=0.9733 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)D189.CB) [> 3.0577 = 5.0961 < 6.6249] w=0.9646 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)G188.CA) [> 2.8916 = 4.8194 < 6.2652] w=0.9646 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)I187.CB) [> 3.5772 = 5.9621 < 7.7507] w=0.9646 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)D189.CB) [> 2.8495 = 4.7491 < 6.1739] w=0.9646 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)C184.CB) [> 2.8712 = 4.7854 < 6.2210] w=0.9522 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)K183.CB) [> 3.8899 = 6.4831 < 8.4281] w=0.9472 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)E204.CB) [> 3.2847 = 5.4745 < 7.1168] w=0.9357 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)A197.CB) [> 2.6462 = 4.4103 < 5.7334] w=0.9316 to align # Constraint # added constraint: constraint((T0329)M118.CB, (T0329)L128.CB) [> 3.6555 = 6.0924 < 7.9202] w=0.9292 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)A206.CB) [> 3.7234 = 6.2056 < 8.0674] w=0.9279 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)A129.CB) [> 2.8945 = 4.8242 < 6.2715] w=0.9222 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)A129.CB) [> 4.3213 = 7.2022 < 9.3628] w=0.9222 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)L128.CB) [> 3.2099 = 5.3499 < 6.9548] w=0.9222 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)K127.CB) [> 4.3535 = 7.2558 < 9.4325] w=0.9222 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)V126.CB) [> 3.4256 = 5.7094 < 7.4222] w=0.9222 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)I205.CB) [> 4.2020 = 7.0033 < 9.1043] w=0.9208 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)L121.CB) [> 3.5370 = 5.8951 < 7.6636] w=0.9010 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)K127.CB) [> 2.6028 = 4.3381 < 5.6395] w=0.9010 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)D203.CB) [> 2.9239 = 4.8731 < 6.3351] w=0.8990 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)V126.CB) [> 3.9410 = 6.5683 < 8.5388] w=0.8976 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)I205.CB) [> 3.0326 = 5.0542 < 6.5705] w=0.8925 to align # Constraint # added constraint: constraint((T0329)T170.CB, (T0329)T196.CB) [> 3.4464 = 5.7439 < 7.4671] w=0.8892 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)I114.CB) [> 3.3036 = 5.5059 < 7.1577] w=0.8868 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)L177.CB) [> 3.4352 = 5.7253 < 7.4429] w=0.8835 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)V179.CB) [> 2.9423 = 4.9039 < 6.3751] w=0.8821 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)A129.CB) [> 3.9128 = 6.5214 < 8.4778] w=0.8798 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)V131.CB) [> 3.2113 = 5.3523 < 6.9579] w=0.8776 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)K183.CB) [> 2.7677 = 4.6128 < 5.9967] w=0.8773 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)I205.CB) [> 4.0853 = 6.8088 < 8.8515] w=0.8727 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)I205.CB) [> 3.7041 = 6.1735 < 8.0255] w=0.8706 to align # Constraint # added constraint: constraint((T0329)T170.CB, (T0329)S200.CB) [> 3.0065 = 5.0109 < 6.5142] w=0.8545 to align # Constraint # added constraint: constraint((T0329)C184.CB, (T0329)M202.CB) [> 3.0302 = 5.0504 < 6.5655] w=0.8531 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)L128.CB) [> 4.4366 = 7.3943 < 9.6126] w=0.8515 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)D203.CB) [> 3.9671 = 6.6119 < 8.5955] w=0.8494 to align # Constraint # added constraint: constraint((T0329)V174.CB, (T0329)C184.CB) [> 3.7178 = 6.1964 < 8.0553] w=0.8460 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)C184.CB) [> 4.4425 = 7.4042 < 9.6255] w=0.8459 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)M202.CB) [> 3.1266 = 5.2110 < 6.7743] w=0.8424 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)M202.CB) [> 3.8403 = 6.4004 < 8.3205] w=0.8424 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)A206.CB) [> 4.0649 = 6.7748 < 8.8073] w=0.8359 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)I187.CB) [> 3.0963 = 5.1605 < 6.7087] w=0.8302 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)G188.CA) [> 4.2632 = 7.1054 < 9.2370] w=0.8302 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)I187.CB) [> 3.9365 = 6.5609 < 8.5292] w=0.8302 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)G188.CA) [> 2.4234 = 4.0391 < 5.2508] w=0.8302 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)D189.CB) [> 3.7916 = 6.3193 < 8.2151] w=0.8302 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)K127.CB) [> 3.9367 = 6.5612 < 8.5295] w=0.8229 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)V126.CB) [> 3.7250 = 6.2084 < 8.0709] w=0.8229 to align # Constraint # added constraint: constraint((T0329)P167.CB, (T0329)T196.CB) [> 3.4613 = 5.7688 < 7.4995] w=0.8178 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)V130.CB) [> 3.4836 = 5.8059 < 7.5477] w=0.8160 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)V207.CB) [> 3.4119 = 5.6864 < 7.3924] w=0.8154 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)S132.CB) [> 2.6163 = 4.3606 < 5.6687] w=0.8139 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)C173.CB) [> 3.7148 = 6.1913 < 8.0487] w=0.8107 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)C173.CB) [> 3.4832 = 5.8054 < 7.5470] w=0.8107 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)E204.CB) [> 4.2895 = 7.1491 < 9.2938] w=0.8090 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)V130.CB) [> 4.3632 = 7.2719 < 9.4535] w=0.8069 to align # Constraint # added constraint: constraint((T0329)C184.CB, (T0329)D203.CB) [> 3.9915 = 6.6524 < 8.6482] w=0.8037 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)F151.CB) [> 3.7465 = 6.2441 < 8.1174] w=0.8036 to align # Constraint # added constraint: constraint((T0329)L15.CB, (T0329)P110.CB) [> 3.4844 = 5.8073 < 7.5495] w=0.8019 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)S132.CB) [> 4.1318 = 6.8863 < 8.9522] w=0.7997 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)P110.CB) [> 3.9527 = 6.5879 < 8.5643] w=0.7949 to align # Constraint # added constraint: constraint((T0329)K127.CB, (T0329)L177.CB) [> 3.3961 = 5.6602 < 7.3583] w=0.7915 to align # Constraint # added constraint: constraint((T0329)S132.CB, (T0329)L155.CB) [> 4.3962 = 7.3270 < 9.5251] w=0.7858 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)A154.CB) [> 2.9705 = 4.9509 < 6.4361] w=0.7808 to align # Constraint # added constraint: constraint((T0329)L15.CB, (T0329)G109.CA) [> 3.2768 = 5.4614 < 7.0998] w=0.7807 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)F153.CB) [> 2.7396 = 4.5660 < 5.9358] w=0.7794 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)M169.CB) [> 3.5815 = 5.9692 < 7.7599] w=0.7753 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)F151.CB) [> 3.3586 = 5.5977 < 7.2770] w=0.7696 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)V224.CB) [> 3.0650 = 5.1084 < 6.6409] w=0.7670 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)S190.CB) [> 4.3204 = 7.2006 < 9.3608] w=0.7665 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)V207.CB) [> 3.0214 = 5.0356 < 6.5463] w=0.7652 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)D193.CB) [> 3.4965 = 5.8275 < 7.5758] w=0.7632 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)F153.CB) [> 4.1930 = 6.9884 < 9.0849] w=0.7596 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)V207.CB) [> 3.5925 = 5.9875 < 7.7838] w=0.7588 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)C184.CB) [> 4.3805 = 7.3009 < 9.4912] w=0.7570 to align # Constraint # added constraint: constraint((T0329)L15.CB, (T0329)T108.CB) [> 3.2659 = 5.4432 < 7.0762] w=0.7524 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)V130.CB) [> 3.2841 = 5.4735 < 7.1156] w=0.7523 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)A129.CB) [> 4.3099 = 7.1832 < 9.3382] w=0.7523 to align # Constraint # added constraint: constraint((T0329)R181.CB, (T0329)S200.CB) [> 3.3870 = 5.6450 < 7.3385] w=0.7477 to align # Constraint # added constraint: constraint((T0329)D182.CB, (T0329)E201.CB) [> 3.3632 = 5.6054 < 7.2870] w=0.7476 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)L155.CB) [> 4.0031 = 6.6719 < 8.6734] w=0.7455 to align # Constraint # added constraint: constraint((T0329)D16.CB, (T0329)G109.CA) [> 3.5154 = 5.8590 < 7.6167] w=0.7453 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)F111.CB) [> 3.8356 = 6.3926 < 8.3104] w=0.7384 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)L155.CB) [> 2.8974 = 4.8290 < 6.2778] w=0.7363 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)K183.CB) [> 3.6549 = 6.0915 < 7.9190] w=0.7357 to align # Constraint # added constraint: constraint((T0329)A206.CB, (T0329)V226.CB) [> 4.1702 = 6.9504 < 9.0355] w=0.7316 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)G188.CA) [> 4.5743 = 7.6238 < 9.9110] w=0.7293 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)S132.CB) [> 3.9056 = 6.5093 < 8.4621] w=0.7290 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)V131.CB) [> 3.8612 = 6.4354 < 8.3660] w=0.7290 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)V179.CB) [> 3.2429 = 5.4049 < 7.0263] w=0.7286 to align # Constraint # added constraint: constraint((T0329)L15.CB, (T0329)F111.CB) [> 3.8276 = 6.3794 < 8.2932] w=0.7242 to align # Constraint # added constraint: constraint((T0329)D16.CB, (T0329)F111.CB) [> 3.6528 = 6.0880 < 7.9144] w=0.7242 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)A154.CB) [> 4.2118 = 7.0197 < 9.1256] w=0.7236 to align # Constraint # added constraint: constraint((T0329)P167.CB, (T0329)N199.CB) [> 2.9772 = 4.9619 < 6.4505] w=0.7223 to align # Constraint # added constraint: constraint((T0329)S132.CB, (T0329)G156.CA) [> 3.1971 = 5.3284 < 6.9269] w=0.7221 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)L155.CB) [> 3.9603 = 6.6006 < 8.5807] w=0.7158 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)V139.CB) [> 3.8774 = 6.4623 < 8.4010] w=0.7128 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)L128.CB) [> 4.2283 = 7.0472 < 9.1614] w=0.7119 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)D189.CB) [> 4.5565 = 7.5942 < 9.8724] w=0.7101 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)V130.CB) [> 4.1839 = 6.9732 < 9.0652] w=0.7099 to align # Constraint # added constraint: constraint((T0329)I114.CB, (T0329)A229.CB) [> 3.4049 = 5.6749 < 7.3773] w=0.6956 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)E157.CB) [> 3.3814 = 5.6357 < 7.3264] w=0.6945 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)G156.CA) [> 4.0731 = 6.7885 < 8.8251] w=0.6938 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)A206.CB) [> 4.2788 = 7.1313 < 9.2707] w=0.6930 to align # Constraint # added constraint: constraint((T0329)L155.CB, (T0329)C173.CB) [> 3.4768 = 5.7947 < 7.5331] w=0.6905 to align # Constraint # added constraint: constraint((T0329)A206.CB, (T0329)I225.CB) [> 3.0721 = 5.1201 < 6.6561] w=0.6893 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)V207.CB) [> 3.3003 = 5.5005 < 7.1507] w=0.6874 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)V131.CB) [> 4.3823 = 7.3039 < 9.4951] w=0.6866 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)L177.CB) [> 3.8057 = 6.3428 < 8.2456] w=0.6835 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)V226.CB) [> 3.8607 = 6.4345 < 8.3648] w=0.6821 to align # Constraint # added constraint: constraint((T0329)E204.CB, (T0329)T223.CB) [> 3.2354 = 5.3923 < 7.0100] w=0.6821 to align # Constraint # added constraint: constraint((T0329)L15.CB, (T0329)L142.CB) [> 3.9395 = 6.5659 < 8.5357] w=0.6816 to align # Constraint # added constraint: constraint((T0329)A206.CB, (T0329)V224.CB) [> 4.1581 = 6.9301 < 9.0092] w=0.6750 to align # Constraint # added constraint: constraint((T0329)E204.CB, (T0329)V224.CB) [> 4.1189 = 6.8648 < 8.9243] w=0.6728 to align # Constraint # added constraint: constraint((T0329)L128.CB, (T0329)F151.CB) [> 3.1208 = 5.2014 < 6.7618] w=0.6713 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)I225.CB) [> 4.1833 = 6.9722 < 9.0639] w=0.6680 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)T223.CB) [> 4.0169 = 6.6948 < 8.7032] w=0.6680 to align # Constraint # added constraint: constraint((T0329)L117.CB, (T0329)A229.CB) [> 2.8116 = 4.6860 < 6.0918] w=0.6673 to align # Constraint # added constraint: constraint((T0329)T170.CB, (T0329)Y186.CB) [> 4.1562 = 6.9270 < 9.0050] w=0.6650 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)D152.CB) [> 3.6416 = 6.0693 < 7.8901] w=0.6636 to align # Constraint # added constraint: constraint((T0329)K127.CB, (T0329)V179.CB) [> 4.0820 = 6.8033 < 8.8443] w=0.6628 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)C173.CB) [> 3.4534 = 5.7557 < 7.4825] w=0.6552 to align # Constraint # added constraint: constraint((T0329)K164.CB, (T0329)D193.CB) [> 3.5406 = 5.9009 < 7.6712] w=0.6551 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)N208.CB) [> 4.0923 = 6.8205 < 8.8667] w=0.6532 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)L232.CB) [> 3.9176 = 6.5293 < 8.4881] w=0.6531 to align # Constraint # added constraint: constraint((T0329)S132.CB, (T0329)E157.CB) [> 4.2965 = 7.1609 < 9.3091] w=0.6480 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)T170.CB) [> 3.9163 = 6.5272 < 8.4853] w=0.6479 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)C184.CB) [> 4.1131 = 6.8551 < 8.9116] w=0.6439 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)E204.CB) [> 4.3091 = 7.1818 < 9.3363] w=0.6438 to align # Constraint # added constraint: constraint((T0329)K164.CB, (T0329)T196.CB) [> 3.0503 = 5.0838 < 6.6089] w=0.6430 to align # Constraint # added constraint: constraint((T0329)L117.CB, (T0329)L232.CB) [> 3.7022 = 6.1703 < 8.0214] w=0.6390 to align # Constraint # added constraint: constraint((T0329)T108.CB, (T0329)L142.CB) [> 3.6188 = 6.0314 < 7.8408] w=0.6327 to align # Constraint # added constraint: constraint((T0329)G113.CA, (T0329)A229.CB) [> 3.2505 = 5.4175 < 7.0428] w=0.6319 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)T196.CB) [> 3.5122 = 5.8537 < 7.6098] w=0.6309 to align # Constraint # added constraint: constraint((T0329)S171.CB, (T0329)S200.CB) [> 3.9042 = 6.5070 < 8.4591] w=0.6285 to align # Constraint # added constraint: constraint((T0329)I194.CB, (T0329)A206.CB) [> 3.4308 = 5.7181 < 7.4335] w=0.6283 to align # Constraint # added constraint: constraint((T0329)L128.CB, (T0329)D152.CB) [> 3.3183 = 5.5304 < 7.1896] w=0.6218 to align # Constraint # added constraint: constraint((T0329)R181.CB, (T0329)M202.CB) [> 2.9831 = 4.9719 < 6.4635] w=0.6198 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)E204.CB) [> 4.4741 = 7.4568 < 9.6939] w=0.6188 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)A222.CB) [> 3.6255 = 6.0425 < 7.8553] w=0.6090 to align # Constraint # added constraint: constraint((T0329)K127.CB, (T0329)D152.CB) [> 3.1120 = 5.1867 < 6.7427] w=0.6070 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)V143.CB) [> 4.1758 = 6.9597 < 9.0476] w=0.6047 to align # Constraint # added constraint: constraint((T0329)P167.CB, (T0329)S200.CB) [> 3.0796 = 5.1326 < 6.6724] w=0.6003 to align # Constraint # added constraint: constraint((T0329)T170.CB, (T0329)A197.CB) [> 3.7310 = 6.2184 < 8.0839] w=0.5986 to align # Constraint # added constraint: constraint((T0329)L155.CB, (T0329)E172.CB) [> 3.5877 = 5.9795 < 7.7734] w=0.5986 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)G156.CA) [> 4.3166 = 7.1943 < 9.3526] w=0.5969 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)T170.CB) [> 3.7099 = 6.1832 < 8.0382] w=0.5942 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)M202.CB) [> 4.3813 = 7.3022 < 9.4929] w=0.5921 to align # Constraint # added constraint: constraint((T0329)G113.CA, (T0329)E230.CB) [> 3.4549 = 5.7582 < 7.4857] w=0.5894 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)K134.CB) [> 3.8565 = 6.4275 < 8.3558] w=0.5891 to align # Constraint # added constraint: constraint((T0329)V139.CB, (T0329)G156.CA) [> 3.9853 = 6.6421 < 8.6348] w=0.5843 to align # Constraint # added constraint: constraint((T0329)V139.CB, (T0329)A154.CB) [> 3.5738 = 5.9563 < 7.7432] w=0.5842 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)V130.CB) [> 4.4898 = 7.4830 < 9.7279] w=0.5825 to align # Constraint # added constraint: constraint((T0329)D16.CB, (T0329)T108.CB) [> 3.9993 = 6.6656 < 8.6652] w=0.5805 to align # Constraint # added constraint: constraint((T0329)P165.CB, (T0329)I192.CB) [> 3.3241 = 5.5401 < 7.2022] w=0.5773 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)L142.CB) [> 4.1424 = 6.9039 < 8.9751] w=0.5744 to align # Constraint # added constraint: constraint((T0329)E204.CB, (T0329)A222.CB) [> 2.9932 = 4.9887 < 6.4853] w=0.5737 to align # Constraint # added constraint: constraint((T0329)F153.CB, (T0329)L177.CB) [> 3.7821 = 6.3034 < 8.1945] w=0.5703 to align # Constraint # added constraint: constraint((T0329)E191.CB, (T0329)F216.CB) [> 3.5427 = 5.9044 < 7.6758] w=0.5659 to align # Constraint # added constraint: constraint((T0329)N136.CB, (T0329)G156.CA) [> 3.6489 = 6.0814 < 7.9059] w=0.5644 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)V139.CB) [> 3.8327 = 6.3879 < 8.3042] w=0.5609 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)D203.CB) [> 4.0033 = 6.6721 < 8.6738] w=0.5590 to align # Constraint # added constraint: constraint((T0329)F153.CB, (T0329)V176.CB) [> 3.2982 = 5.4970 < 7.1462] w=0.5561 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)F111.CB) [> 4.3269 = 7.2116 < 9.3750] w=0.5544 to align # Constraint # added constraint: constraint((T0329)A206.CB, (T0329)A222.CB) [> 2.5607 = 4.2679 < 5.5483] w=0.5525 to align # Constraint # added constraint: constraint((T0329)P165.CB, (T0329)T196.CB) [> 2.6931 = 4.4885 < 5.8351] w=0.5491 to align # Constraint # added constraint: constraint((T0329)F111.CB, (T0329)A229.CB) [> 3.8077 = 6.3461 < 8.2499] w=0.5471 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)L232.CB) [> 3.9347 = 6.5578 < 8.5251] w=0.5448 to align # Constraint # added constraint: constraint((T0329)S132.CB, (T0329)A154.CB) [> 4.4766 = 7.4609 < 9.6992] w=0.5410 to align # Constraint # added constraint: constraint((T0329)P110.CB, (T0329)L146.CB) [> 3.5583 = 5.9305 < 7.7096] w=0.5397 to align # Constraint # added constraint: constraint((T0329)K134.CB, (T0329)G156.CA) [> 3.8550 = 6.4250 < 8.3525] w=0.5393 to align # Constraint # added constraint: constraint((T0329)M118.CB, (T0329)F147.CB) [> 3.9339 = 6.5566 < 8.5236] w=0.5383 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)K164.CB) [> 3.5542 = 5.9237 < 7.7008] w=0.5348 to align # Constraint # added constraint: constraint((T0329)V143.CB, (T0329)A154.CB) [> 4.0111 = 6.6852 < 8.6907] w=0.5348 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)Y186.CB) [> 4.6665 = 7.7775 < 10.1107] w=0.5339 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)K134.CB) [> 4.0630 = 6.7717 < 8.8032] w=0.5325 to align # Constraint # added constraint: constraint((T0329)L117.CB, (T0329)E233.CB) [> 3.7312 = 6.2186 < 8.0842] w=0.5306 to align # Constraint # added constraint: constraint((T0329)L155.CB, (T0329)M169.CB) [> 3.3951 = 5.6585 < 7.3560] w=0.5278 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)R212.CB) [> 3.4814 = 5.8023 < 7.5430] w=0.5246 to align # Constraint # added constraint: constraint((T0329)A166.CB, (T0329)T196.CB) [> 3.9583 = 6.5973 < 8.5764] w=0.5236 to align # Constraint # added constraint: constraint((T0329)K164.CB, (T0329)I192.CB) [> 3.3028 = 5.5046 < 7.1560] w=0.5236 to align # Constraint # added constraint: constraint((T0329)L128.CB, (T0329)S150.CB) [> 3.7151 = 6.1918 < 8.0493] w=0.5221 to align # Constraint # added constraint: constraint((T0329)N208.CB, (T0329)I225.CB) [> 3.7327 = 6.2212 < 8.0876] w=0.5196 to align # Constraint # added constraint: constraint((T0329)V224.CB, (T0329)A235.CB) [> 3.3597 = 5.5995 < 7.2793] w=0.5187 to align # Constraint # added constraint: constraint((T0329)I194.CB, (T0329)H220.CB) [> 3.4974 = 5.8289 < 7.5776] w=0.5164 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)Y186.CB) [> 4.5051 = 7.5086 < 9.7611] w=0.5029 to align # Constraint # added constraint: constraint((T0329)K127.CB, (T0329)F153.CB) [> 4.4787 = 7.4646 < 9.7039] w=0.5001 to align # Constraint # added constraint: constraint((T0329)N208.CB, (T0329)V226.CB) [> 4.2399 = 7.0664 < 9.1863] w=0.4983 to align # Constraint # added constraint: constraint((T0329)P135.CB, (T0329)G156.CA) [> 4.1361 = 6.8936 < 8.9617] w=0.4974 to align # Constraint # added constraint: constraint((T0329)E157.CB, (T0329)M169.CB) [> 3.7161 = 6.1935 < 8.0516] w=0.4924 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)A235.CB) [> 3.8154 = 6.3591 < 8.2668] w=0.4905 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)T108.CB) [> 3.5321 = 5.8869 < 7.6529] w=0.4905 to align # Constraint # added constraint: constraint((T0329)D203.CB, (T0329)V224.CB) [> 4.4784 = 7.4639 < 9.7031] w=0.4904 to align # Constraint # added constraint: constraint((T0329)N120.CB, (T0329)E233.CB) [> 3.3564 = 5.5939 < 7.2721] w=0.4881 to align # Constraint # added constraint: constraint((T0329)D16.CB, (T0329)P110.CB) [> 4.3572 = 7.2621 < 9.4407] w=0.4841 to align # Constraint # added constraint: constraint((T0329)V207.CB, (T0329)D227.CB) [> 4.4391 = 7.3984 < 9.6180] w=0.4812 to align # Constraint # added constraint: constraint((T0329)L128.CB, (T0329)F153.CB) [> 4.4593 = 7.4322 < 9.6618] w=0.4761 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)V174.CB) [> 4.0190 = 6.6984 < 8.7079] w=0.4739 to align # Constraint # added constraint: constraint((T0329)E191.CB, (T0329)L217.CB) [> 4.1009 = 6.8348 < 8.8852] w=0.4739 to align # Constraint # added constraint: constraint((T0329)C184.CB, (T0329)S200.CB) [> 3.7246 = 6.2076 < 8.0699] w=0.4739 to align # Constraint # added constraint: constraint((T0329)D182.CB, (T0329)D203.CB) [> 4.2472 = 7.0787 < 9.2023] w=0.4732 to align # Constraint # added constraint: constraint((T0329)A206.CB, (T0329)L217.CB) [> 3.3766 = 5.6276 < 7.3159] w=0.4731 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)C173.CB) [> 4.3612 = 7.2686 < 9.4492] w=0.4669 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)V207.CB) [> 4.2908 = 7.1512 < 9.2966] w=0.4610 to align # Constraint # added constraint: constraint((T0329)D182.CB, (T0329)M202.CB) [> 4.2333 = 7.0555 < 9.1722] w=0.4591 to align # Constraint # added constraint: constraint((T0329)Q140.CB, (T0329)A154.CB) [> 3.9360 = 6.5600 < 8.5280] w=0.4569 to align # Constraint # added constraint: constraint((T0329)L115.CB, (T0329)F147.CB) [> 3.9827 = 6.6378 < 8.6291] w=0.4523 to align # Constraint # added constraint: constraint((T0329)G160.CA, (T0329)E172.CB) [> 4.2241 = 7.0401 < 9.1522] w=0.4499 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)K164.CB) [> 4.2241 = 7.0402 < 9.1522] w=0.4499 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)Y186.CB) [> 4.5964 = 7.6606 < 9.9588] w=0.4491 to align # Constraint # added constraint: constraint((T0329)I194.CB, (T0329)A222.CB) [> 3.1520 = 5.2534 < 6.8294] w=0.4465 to align # Constraint # added constraint: constraint((T0329)V207.CB, (T0329)A229.CB) [> 3.8917 = 6.4862 < 8.4320] w=0.4458 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)A197.CB) [> 4.4364 = 7.3939 < 9.6121] w=0.4456 to align # Constraint # added constraint: constraint((T0329)N208.CB, (T0329)D227.CB) [> 3.3642 = 5.6069 < 7.2890] w=0.4411 to align # Constraint # added constraint: constraint((T0329)D152.CB, (T0329)L177.CB) [> 4.0544 = 6.7573 < 8.7845] w=0.4388 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)I236.CB) [> 3.9737 = 6.6228 < 8.6096] w=0.4338 to align # Constraint # added constraint: constraint((T0329)F153.CB, (T0329)C173.CB) [> 3.7991 = 6.3318 < 8.2313] w=0.4307 to align # Constraint # added constraint: constraint((T0329)A28.CB, (T0329)V92.CB) [> 3.2956 = 5.4927 < 7.1405] w=0.4251 to align # Constraint # added constraint: constraint((T0329)P110.CB, (T0329)F147.CB) [> 3.9848 = 6.6413 < 8.6337] w=0.4240 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)N133.CB) [> 4.3629 = 7.2715 < 9.4529] w=0.4234 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)W209.CB) [> 3.5708 = 5.9514 < 7.7368] w=0.4223 to align # Constraint # added constraint: constraint((T0329)C173.CB, (T0329)C184.CB) [> 4.3680 = 7.2800 < 9.4641] w=0.4217 to align # Constraint # added constraint: constraint((T0329)R122.CB, (T0329)S150.CB) [> 3.8566 = 6.4276 < 8.3559] w=0.4200 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)A229.CB) [> 4.1510 = 6.9184 < 8.9939] w=0.4174 to align # Constraint # added constraint: constraint((T0329)L115.CB, (T0329)L146.CB) [> 4.0783 = 6.7972 < 8.8363] w=0.4141 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)L128.CB) [> 4.6495 = 7.7492 < 10.0739] w=0.4139 to align # Constraint # added constraint: constraint((T0329)W209.CB, (T0329)T228.CB) [> 3.6844 = 6.1407 < 7.9829] w=0.4104 to align # Constraint # added constraint: constraint((T0329)P165.CB, (T0329)D193.CB) [> 3.9214 = 6.5357 < 8.4964] w=0.4075 to align # Constraint # added constraint: constraint((T0329)N136.CB, (T0329)A154.CB) [> 3.4797 = 5.7996 < 7.5395] w=0.4051 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)L232.CB) [> 4.3746 = 7.2910 < 9.4784] w=0.4034 to align # Constraint # added constraint: constraint((T0329)P110.CB, (T0329)E145.CB) [> 3.7308 = 6.2181 < 8.0835] w=0.4030 to align # Constraint # added constraint: constraint((T0329)L15.CB, (T0329)I114.CB) [> 4.5184 = 7.5307 < 9.7899] w=0.3995 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)I236.CB) [> 3.4861 = 5.8102 < 7.5532] w=0.3963 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)I192.CB) [> 4.0119 = 6.6866 < 8.6925] w=0.3910 to align # Constraint # added constraint: constraint((T0329)P165.CB, (T0329)N199.CB) [> 4.0237 = 6.7061 < 8.7179] w=0.3892 to align # Constraint # added constraint: constraint((T0329)P135.CB, (T0329)K158.CB) [> 3.5705 = 5.9508 < 7.7360] w=0.3876 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)G156.CA) [> 4.5104 = 7.5174 < 9.7726] w=0.3870 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)A229.CB) [> 4.3765 = 7.2941 < 9.4824] w=0.3820 to align # Constraint # added constraint: constraint((T0329)I194.CB, (T0329)L217.CB) [> 3.6453 = 6.0755 < 7.8981] w=0.3819 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)A229.CB) [> 4.4157 = 7.3595 < 9.5674] w=0.3749 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)V176.CB) [> 4.1623 = 6.9371 < 9.0183] w=0.3680 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)S190.CB) [> 4.5068 = 7.5113 < 9.7647] w=0.3680 to align # Constraint # added constraint: constraint((T0329)L121.CB, (T0329)E233.CB) [> 3.8863 = 6.4772 < 8.4203] w=0.3679 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)T196.CB) [> 4.0918 = 6.8196 < 8.8655] w=0.3677 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)Y186.CB) [> 4.5718 = 7.6198 < 9.9057] w=0.3628 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)I114.CB) [> 4.2168 = 7.0281 < 9.1365] w=0.3613 to align # Constraint # added constraint: constraint((T0329)I194.CB, (T0329)G221.CA) [> 3.8978 = 6.4963 < 8.4452] w=0.3608 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)I236.CB) [> 4.3143 = 7.1905 < 9.3477] w=0.3560 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)V131.CB) [> 4.5736 = 7.6226 < 9.9094] w=0.3428 to align # Constraint # added constraint: constraint((T0329)K164.CB, (T0329)Q195.CB) [> 3.9976 = 6.6627 < 8.6615] w=0.3395 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)A197.CB) [> 4.4963 = 7.4938 < 9.7420] w=0.3332 to align # Constraint # added constraint: constraint((T0329)G156.CA, (T0329)M169.CB) [> 3.9376 = 6.5626 < 8.5314] w=0.3326 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)L232.CB) [> 4.1687 = 6.9479 < 9.0323] w=0.3324 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)F211.CB) [> 3.8545 = 6.4241 < 8.3514] w=0.3184 to align # Constraint # added constraint: constraint((T0329)A197.CB, (T0329)A222.CB) [> 3.9961 = 6.6602 < 8.6582] w=0.3112 to align # Constraint # added constraint: constraint((T0329)V126.CB, (T0329)I236.CB) [> 4.3639 = 7.2732 < 9.4551] w=0.3065 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)G210.CA) [> 3.5346 = 5.8910 < 7.6582] w=0.3050 to align # Constraint # added constraint: constraint((T0329)L121.CB, (T0329)I236.CB) [> 4.2468 = 7.0780 < 9.2014] w=0.2994 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)L146.CB) [> 4.3909 = 7.3181 < 9.5136] w=0.2977 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)M118.CB) [> 4.4845 = 7.4741 < 9.7164] w=0.2976 to align # Constraint # added constraint: constraint((T0329)D116.CB, (T0329)A229.CB) [> 4.4694 = 7.4490 < 9.6837] w=0.2851 to align # Constraint # added constraint: constraint((T0329)A24.CB, (T0329)H103.CB) [> 3.7306 = 6.2176 < 8.0829] w=0.2840 to align # Constraint # added constraint: constraint((T0329)A24.CB, (T0329)Y99.CB) [> 3.1489 = 5.2482 < 6.8226] w=0.2831 to align # Constraint # added constraint: constraint((T0329)A24.CB, (T0329)F96.CB) [> 3.2494 = 5.4157 < 7.0404] w=0.2830 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)G125.CA) [> 4.4268 = 7.3780 < 9.5914] w=0.2771 to align # Constraint # added constraint: constraint((T0329)A28.CB, (T0329)Y99.CB) [> 3.9218 = 6.5363 < 8.4972] w=0.2765 to align # Constraint # added constraint: constraint((T0329)A166.CB, (T0329)N199.CB) [> 4.2367 = 7.0612 < 9.1796] w=0.2760 to align # Constraint # added constraint: constraint((T0329)R198.CB, (T0329)H220.CB) [> 3.6525 = 6.0875 < 7.9137] w=0.2760 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)R212.CB) [> 4.0450 = 6.7416 < 8.7640] w=0.2758 to align # Constraint # added constraint: constraint((T0329)A24.CB, (T0329)Y100.CB) [> 2.9426 = 4.9043 < 6.3756] w=0.2753 to align # Constraint # added constraint: constraint((T0329)C104.CB, (T0329)L142.CB) [> 3.8644 = 6.4407 < 8.3729] w=0.2700 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)F38.CB) [> 3.6310 = 6.0517 < 7.8672] w=0.2700 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)M118.CB) [> 4.2294 = 7.0489 < 9.1636] w=0.2693 to align # Constraint # added constraint: constraint((T0329)T108.CB, (T0329)L146.CB) [> 3.7255 = 6.2092 < 8.0720] w=0.2689 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)G109.CA) [> 4.1979 = 6.9965 < 9.0955] w=0.2687 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)V226.CB) [> 4.4593 = 7.4321 < 9.6618] w=0.2641 to align # Constraint # added constraint: constraint((T0329)A28.CB, (T0329)V95.CB) [> 3.3294 = 5.5490 < 7.2137] w=0.2630 to align # Constraint # added constraint: constraint((T0329)V214.CB, (T0329)I225.CB) [> 3.7280 = 6.2134 < 8.0774] w=0.2630 to align # Constraint # added constraint: constraint((T0329)T32.CB, (T0329)V92.CB) [> 4.2525 = 7.0874 < 9.2136] w=0.2619 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)V143.CB) [> 4.5291 = 7.5486 < 9.8131] w=0.2582 to align # Constraint # added constraint: constraint((T0329)A28.CB, (T0329)F96.CB) [> 3.1767 = 5.2944 < 6.8828] w=0.2554 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)L177.CB) [> 4.4730 = 7.4550 < 9.6916] w=0.2528 to align # Constraint # added constraint: constraint((T0329)N208.CB, (T0329)L217.CB) [> 3.9197 = 6.5328 < 8.4927] w=0.2477 to align # Constraint # added constraint: constraint((T0329)F29.CB, (T0329)F38.CB) [> 3.1332 = 5.2219 < 6.7885] w=0.2476 to align # Constraint # added constraint: constraint((T0329)I194.CB, (T0329)F216.CB) [> 4.0795 = 6.7992 < 8.8390] w=0.2475 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)N199.CB) [> 4.4200 = 7.3666 < 9.5766] w=0.2418 to align # Constraint # added constraint: constraint((T0329)T32.CB, (T0329)V84.CB) [> 3.5342 = 5.8903 < 7.6573] w=0.2391 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)W209.CB) [> 3.5736 = 5.9560 < 7.7429] w=0.2375 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)V40.CB) [> 3.8857 = 6.4762 < 8.4190] w=0.2347 to align # Constraint # added constraint: constraint((T0329)D20.CB, (T0329)C104.CB) [> 3.1574 = 5.2623 < 6.8410] w=0.2335 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)I114.CB) [> 4.4427 = 7.4045 < 9.6258] w=0.2306 to align # Constraint # added constraint: constraint((T0329)Q195.CB, (T0329)H220.CB) [> 3.5124 = 5.8540 < 7.6101] w=0.2265 to align # Constraint # added constraint: constraint((T0329)G12.CA, (T0329)G210.CA) [> 2.9957 = 4.9928 < 6.4907] w=0.2265 to align # Constraint # added constraint: constraint((T0329)S132.CB, (T0329)M169.CB) [> 4.5295 = 7.5491 < 9.8138] w=0.2265 to align # Constraint # added constraint: constraint((T0329)K2.CB, (T0329)K183.CB) [> 3.7917 = 6.3194 < 8.2153] w=0.2262 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)S190.CB) [> 4.5186 = 7.5310 < 9.7903] w=0.2253 to align # Constraint # added constraint: constraint((T0329)K127.CB, (T0329)G178.CA) [> 4.4515 = 7.4191 < 9.6448] w=0.2194 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)I43.CB) [> 3.8629 = 6.4382 < 8.3696] w=0.2193 to align # Constraint # added constraint: constraint((T0329)T22.CB, (T0329)V40.CB) [> 3.4795 = 5.7993 < 7.5390] w=0.2146 to align # Constraint # added constraint: constraint((T0329)S213.CB, (T0329)I225.CB) [> 4.2720 = 7.1200 < 9.2559] w=0.2133 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)K158.CB) [> 4.1058 = 6.8430 < 8.8959] w=0.2128 to align # Constraint # added constraint: constraint((T0329)R198.CB, (T0329)A222.CB) [> 4.1942 = 6.9903 < 9.0873] w=0.2123 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)P180.CB) [> 4.6120 = 7.6867 < 9.9927] w=0.2123 to align # Constraint # added constraint: constraint((T0329)Q31.CB, (T0329)V95.CB) [> 4.1236 = 6.8726 < 8.9344] w=0.2123 to align # Constraint # added constraint: constraint((T0329)T32.CB, (T0329)E88.CB) [> 4.1430 = 6.9050 < 8.9764] w=0.2121 to align # Constraint # added constraint: constraint((T0329)V174.CB, (T0329)K183.CB) [> 4.5276 = 7.5460 < 9.8097] w=0.2121 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)T108.CB) [> 4.0493 = 6.7488 < 8.7734] w=0.2066 to align # Constraint # added constraint: constraint((T0329)A5.CB, (T0329)D152.CB) [> 4.7027 = 7.8379 < 10.1893] w=0.2052 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)S213.CB) [> 2.9142 = 4.8570 < 6.3141] w=0.2050 to align # Constraint # added constraint: constraint((T0329)K164.CB, (T0329)S190.CB) [> 4.5469 = 7.5781 < 9.8515] w=0.2043 to align # Constraint # added constraint: constraint((T0329)R122.CB, (T0329)D152.CB) [> 4.4993 = 7.4989 < 9.7485] w=0.2022 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)F38.CB) [> 3.9857 = 6.6428 < 8.6357] w=0.1981 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)A54.CB) [> 4.2298 = 7.0496 < 9.1645] w=0.1935 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)F151.CB) [> 4.3756 = 7.2927 < 9.4805] w=0.1911 to align # Constraint # added constraint: constraint((T0329)I194.CB, (T0329)I205.CB) [> 4.3224 = 7.2041 < 9.3653] w=0.1891 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)A154.CB) [> 4.2186 = 7.0310 < 9.1404] w=0.1874 to align # Constraint # added constraint: constraint((T0329)T22.CB, (T0329)I43.CB) [> 3.1304 = 5.2174 < 6.7825] w=0.1840 to align # Constraint # added constraint: constraint((T0329)S159.CB, (T0329)M169.CB) [> 4.0029 = 6.6715 < 8.6729] w=0.1840 to align # Constraint # added constraint: constraint((T0329)F29.CB, (T0329)A58.CB) [> 3.9598 = 6.5997 < 8.5796] w=0.1839 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)W209.CB) [> 3.6951 = 6.1585 < 8.0060] w=0.1799 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)V185.CB) [> 4.0063 = 6.6772 < 8.6804] w=0.1790 to align # Constraint # added constraint: constraint((T0329)L59.CB, (T0329)V84.CB) [> 3.5175 = 5.8625 < 7.6212] w=0.1783 to align # Constraint # added constraint: constraint((T0329)I114.CB, (T0329)L146.CB) [> 4.2310 = 7.0517 < 9.1672] w=0.1781 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)L115.CB) [> 4.0678 = 6.7796 < 8.8135] w=0.1773 to align # Constraint # added constraint: constraint((T0329)E204.CB, (T0329)H220.CB) [> 4.2418 = 7.0697 < 9.1906] w=0.1768 to align # Constraint # added constraint: constraint((T0329)S190.CB, (T0329)V214.CB) [> 3.7838 = 6.3063 < 8.1982] w=0.1767 to align # Constraint # added constraint: constraint((T0329)V55.CB, (T0329)V89.CB) [> 3.5474 = 5.9123 < 7.6860] w=0.1703 to align # Constraint # added constraint: constraint((T0329)D16.CB, (T0329)K107.CB) [> 3.2275 = 5.3792 < 6.9930] w=0.1698 to align # Constraint # added constraint: constraint((T0329)V51.CB, (T0329)L93.CB) [> 3.7924 = 6.3207 < 8.2170] w=0.1698 to align # Constraint # added constraint: constraint((T0329)F46.CB, (T0329)R57.CB) [> 3.3766 = 5.6277 < 7.3160] w=0.1698 to align # Constraint # added constraint: constraint((T0329)A24.CB, (T0329)V92.CB) [> 3.7211 = 6.2018 < 8.0624] w=0.1697 to align # Constraint # added constraint: constraint((T0329)V130.CB, (T0329)S150.CB) [> 3.5285 = 5.8808 < 7.6450] w=0.1659 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)V143.CB) [> 4.6138 = 7.6897 < 9.9966] w=0.1627 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)R35.CB) [> 4.1782 = 6.9636 < 9.0527] w=0.1626 to align # Constraint # added constraint: constraint((T0329)L21.CB, (T0329)C104.CB) [> 3.7616 = 6.2694 < 8.1502] w=0.1625 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)L21.CB) [> 3.9846 = 6.6410 < 8.6332] w=0.1615 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)C104.CB) [> 4.2397 = 7.0661 < 9.1860] w=0.1580 to align # Constraint # added constraint: constraint((T0329)K124.CB, (T0329)I236.CB) [> 4.2826 = 7.1376 < 9.2789] w=0.1568 to align # Constraint # added constraint: constraint((T0329)V139.CB, (T0329)F151.CB) [> 4.0345 = 6.7241 < 8.7414] w=0.1555 to align # Constraint # added constraint: constraint((T0329)A206.CB, (T0329)T223.CB) [> 3.5182 = 5.8637 < 7.6228] w=0.1508 to align # Constraint # added constraint: constraint((T0329)S18.CB, (T0329)F211.CB) [> 3.9739 = 6.6232 < 8.6101] w=0.1497 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)T39.CB) [> 3.9839 = 6.6398 < 8.6317] w=0.1497 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)L142.CB) [> 4.3078 = 7.1797 < 9.3336] w=0.1486 to align # Constraint # added constraint: constraint((T0329)D16.CB, (T0329)G210.CA) [> 3.9471 = 6.5786 < 8.5522] w=0.1463 to align # Constraint # added constraint: constraint((T0329)P135.CB, (T0329)L155.CB) [> 3.3730 = 5.6216 < 7.3081] w=0.1428 to align # Constraint # added constraint: constraint((T0329)G74.CA, (T0329)V89.CB) [> 3.8736 = 6.4560 < 8.3928] w=0.1427 to align # Constraint # added constraint: constraint((T0329)A197.CB, (T0329)T223.CB) [> 4.4033 = 7.3389 < 9.5405] w=0.1415 to align # Constraint # added constraint: constraint((T0329)F46.CB, (T0329)A58.CB) [> 3.9774 = 6.6290 < 8.6178] w=0.1415 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)A58.CB) [> 3.9458 = 6.5763 < 8.5492] w=0.1415 to align # Constraint # added constraint: constraint((T0329)K183.CB, (T0329)M202.CB) [> 4.6769 = 7.7948 < 10.1333] w=0.1414 to align # Constraint # added constraint: constraint((T0329)P135.CB, (T0329)A154.CB) [> 3.8493 = 6.4155 < 8.3402] w=0.1413 to align # Constraint # added constraint: constraint((T0329)L128.CB, (T0329)F147.CB) [> 3.2505 = 5.4175 < 7.0427] w=0.1413 to align # Constraint # added constraint: constraint((T0329)N208.CB, (T0329)T228.CB) [> 4.1581 = 6.9301 < 9.0091] w=0.1368 to align # Constraint # added constraint: constraint((T0329)V55.CB, (T0329)V92.CB) [> 3.2236 = 5.3727 < 6.9845] w=0.1356 to align # Constraint # added constraint: constraint((T0329)A24.CB, (T0329)C104.CB) [> 3.0293 = 5.0489 < 6.5635] w=0.1350 to align # Constraint # added constraint: constraint((T0329)A58.CB, (T0329)S69.CB) [> 3.2608 = 5.4347 < 7.0651] w=0.1348 to align # Constraint # added constraint: constraint((T0329)V55.CB, (T0329)L93.CB) [> 3.3254 = 5.5423 < 7.2051] w=0.1345 to align # Constraint # added constraint: constraint((T0329)S132.CB, (T0329)F153.CB) [> 4.4250 = 7.3751 < 9.5876] w=0.1342 to align # Constraint # added constraint: constraint((T0329)T32.CB, (T0329)I80.CB) [> 4.1794 = 6.9657 < 9.0554] w=0.1337 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)Y27.CB) [> 3.3813 = 5.6355 < 7.3261] w=0.1336 to align # Constraint # added constraint: constraint((T0329)Q140.CB, (T0329)F151.CB) [> 3.6670 = 6.1116 < 7.9451] w=0.1307 to align # Constraint # added constraint: constraint((T0329)I7.CB, (T0329)L155.CB) [> 4.6251 = 7.7084 < 10.0210] w=0.1288 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)G210.CA) [> 4.2678 = 7.1130 < 9.2469] w=0.1274 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)N26.CB) [> 4.0378 = 6.7297 < 8.7486] w=0.1272 to align # Constraint # added constraint: constraint((T0329)V55.CB, (T0329)F96.CB) [> 4.1079 = 6.8465 < 8.9005] w=0.1267 to align # Constraint # added constraint: constraint((T0329)F73.CB, (T0329)V84.CB) [> 4.2429 = 7.0714 < 9.1929] w=0.1267 to align # Constraint # added constraint: constraint((T0329)A28.CB, (T0329)V89.CB) [> 3.6071 = 6.0118 < 7.8153] w=0.1265 to align # Constraint # added constraint: constraint((T0329)L21.CB, (T0329)H103.CB) [> 3.9736 = 6.6227 < 8.6095] w=0.1226 to align # Constraint # added constraint: constraint((T0329)F38.CB, (T0329)A58.CB) [> 3.8782 = 6.4636 < 8.4027] w=0.1225 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)H36.CB) [> 3.7019 = 6.1698 < 8.0208] w=0.1214 to align # Constraint # added constraint: constraint((T0329)K183.CB, (T0329)D203.CB) [> 3.8147 = 6.3579 < 8.2652] w=0.1210 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)I161.CB) [> 4.0198 = 6.6996 < 8.7095] w=0.1209 to align # Constraint # added constraint: constraint((T0329)A129.CB, (T0329)C184.CB) [> 4.4624 = 7.4373 < 9.6685] w=0.1203 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)A229.CB) [> 4.3490 = 7.2483 < 9.4228] w=0.1203 to align # Constraint # added constraint: constraint((T0329)S18.CB, (T0329)F47.CB) [> 3.9912 = 6.6520 < 8.6476] w=0.1202 to align # Constraint # added constraint: constraint((T0329)F29.CB, (T0329)I43.CB) [> 3.1615 = 5.2692 < 6.8500] w=0.1202 to align # Constraint # added constraint: constraint((T0329)E204.CB, (T0329)I225.CB) [> 4.3570 = 7.2617 < 9.4402] w=0.1202 to align # Constraint # added constraint: constraint((T0329)A28.CB, (T0329)E88.CB) [> 4.2569 = 7.0949 < 9.2234] w=0.1201 to align # Constraint # added constraint: constraint((T0329)V53.CB, (T0329)R163.CB) [> 3.4173 = 5.6955 < 7.4041] w=0.1199 to align # Constraint # added constraint: constraint((T0329)R57.CB, (T0329)S69.CB) [> 4.1082 = 6.8469 < 8.9010] w=0.1196 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)N208.CB) [> 3.3106 = 5.5176 < 7.1729] w=0.1146 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)A206.CB) [> 3.7014 = 6.1690 < 8.0197] w=0.1146 to align # Constraint # added constraint: constraint((T0329)V52.CB, (T0329)V89.CB) [> 4.0578 = 6.7631 < 8.7920] w=0.1143 to align # Constraint # added constraint: constraint((T0329)L21.CB, (T0329)F47.CB) [> 4.1040 = 6.8400 < 8.8920] w=0.1132 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)K107.CB) [> 4.3476 = 7.2460 < 9.4198] w=0.1132 to align # Constraint # added constraint: constraint((T0329)M1.CB, (T0329)K183.CB) [> 3.8629 = 6.4382 < 8.3697] w=0.1132 to align # Constraint # added constraint: constraint((T0329)L70.CB, (T0329)L93.CB) [> 3.4796 = 5.7994 < 7.5392] w=0.1132 to align # Constraint # added constraint: constraint((T0329)F29.CB, (T0329)V40.CB) [> 3.1396 = 5.2327 < 6.8026] w=0.1132 to align # Constraint # added constraint: constraint((T0329)L70.CB, (T0329)V89.CB) [> 3.4876 = 5.8127 < 7.5565] w=0.1132 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)F153.CB) [> 3.9897 = 6.6494 < 8.6442] w=0.1130 to align # Constraint # added constraint: constraint((T0329)V139.CB, (T0329)D152.CB) [> 2.8488 = 4.7480 < 6.1725] w=0.1130 to align # Constraint # added constraint: constraint((T0329)P165.CB, (T0329)A197.CB) [> 4.6689 = 7.7815 < 10.1160] w=0.1062 to align # Constraint # added constraint: constraint((T0329)Y186.CB, (T0329)R198.CB) [> 4.6934 = 7.8224 < 10.1692] w=0.1062 to align # Constraint # added constraint: constraint((T0329)G50.CA, (T0329)A72.CB) [> 3.9112 = 6.5187 < 8.4743] w=0.1062 to align # Constraint # added constraint: constraint((T0329)V51.CB, (T0329)F96.CB) [> 3.9153 = 6.5256 < 8.4832] w=0.1062 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)S190.CB) [> 4.3628 = 7.2714 < 9.4528] w=0.1062 to align # Constraint # added constraint: constraint((T0329)V207.CB, (T0329)V224.CB) [> 3.3628 = 5.6047 < 7.2861] w=0.1061 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)A206.CB) [> 4.1884 = 6.9807 < 9.0749] w=0.1061 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)D182.CB) [> 3.7618 = 6.2697 < 8.1506] w=0.1061 to align # Constraint # added constraint: constraint((T0329)D16.CB, (T0329)W209.CB) [> 4.1493 = 6.9155 < 8.9901] w=0.1061 to align # Constraint # added constraint: constraint((T0329)F73.CB, (T0329)V89.CB) [> 3.6409 = 6.0682 < 7.8886] w=0.1061 to align # Constraint # added constraint: constraint((T0329)A54.CB, (T0329)A72.CB) [> 3.2507 = 5.4179 < 7.0432] w=0.1061 to align # Constraint # added constraint: constraint((T0329)F29.CB, (T0329)K44.CB) [> 3.8551 = 6.4251 < 8.3527] w=0.1061 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)V55.CB) [> 4.2755 = 7.1259 < 9.2636] w=0.1061 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)S190.CB) [> 4.6766 = 7.7944 < 10.1327] w=0.1060 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)H36.CB) [> 4.1319 = 6.8866 < 8.9525] w=0.1002 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)K127.CB) [> 3.7713 = 6.2855 < 8.1711] w=0.1000 to align # Constraint # added constraint: constraint((T0329)S190.CB, (T0329)A206.CB) [> 4.2977 = 7.1629 < 9.3117] w=0.0997 to align # Constraint # added constraint: constraint((T0329)G50.CA, (T0329)N133.CB) [> 3.7409 = 6.2349 < 8.1053] w=0.0991 to align # Constraint # added constraint: constraint((T0329)N120.CB, (T0329)L232.CB) [> 4.5781 = 7.6301 < 9.9192] w=0.0991 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)D182.CB) [> 4.4417 = 7.4028 < 9.6236] w=0.0991 to align # Constraint # added constraint: constraint((T0329)V55.CB, (T0329)N133.CB) [> 3.9495 = 6.5825 < 8.5572] w=0.0990 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)I205.CB) [> 4.1733 = 6.9555 < 9.0421] w=0.0990 to align # Constraint # added constraint: constraint((T0329)S132.CB, (T0329)D152.CB) [> 2.6738 = 4.4563 < 5.7932] w=0.0989 to align # Constraint # added constraint: constraint((T0329)L128.CB, (T0329)G149.CA) [> 4.3854 = 7.3089 < 9.5016] w=0.0989 to align # Constraint # added constraint: constraint((T0329)A54.CB, (T0329)S69.CB) [> 3.2159 = 5.3598 < 6.9677] w=0.0984 to align # Constraint # added constraint: constraint((T0329)I187.CB, (T0329)N208.CB) [> 4.1332 = 6.8886 < 8.9552] w=0.0934 to align # Constraint # added constraint: constraint((T0329)V51.CB, (T0329)N133.CB) [> 4.1796 = 6.9661 < 9.0559] w=0.0933 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)G210.CA) [> 2.8858 = 4.8097 < 6.2526] w=0.0920 to align # Constraint # added constraint: constraint((T0329)F47.CB, (T0329)I192.CB) [> 3.5702 = 5.9503 < 7.7354] w=0.0920 to align # Constraint # added constraint: constraint((T0329)V185.CB, (T0329)V224.CB) [> 4.6434 = 7.7390 < 10.0607] w=0.0920 to align # Constraint # added constraint: constraint((T0329)I43.CB, (T0329)I80.CB) [> 3.8376 = 6.3960 < 8.3149] w=0.0919 to align # Constraint # added constraint: constraint((T0329)E204.CB, (T0329)V226.CB) [> 3.6787 = 6.1312 < 7.9705] w=0.0919 to align # Constraint # added constraint: constraint((T0329)V55.CB, (T0329)S69.CB) [> 4.2954 = 7.1590 < 9.3067] w=0.0913 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)W209.CB) [> 3.9398 = 6.5663 < 8.5362] w=0.0863 to align # Constraint # added constraint: constraint((T0329)T56.CB, (T0329)V89.CB) [> 3.3903 = 5.6505 < 7.3457] w=0.0861 to align # Constraint # added constraint: constraint((T0329)F73.CB, (T0329)V92.CB) [> 3.7633 = 6.2722 < 8.1538] w=0.0860 to align # Constraint # added constraint: constraint((T0329)E157.CB, (T0329)D168.CB) [> 4.5100 = 7.5167 < 9.7717] w=0.0849 to align # Constraint # added constraint: constraint((T0329)V207.CB, (T0329)A222.CB) [> 2.8683 = 4.7806 < 6.2147] w=0.0849 to align # Constraint # added constraint: constraint((T0329)S190.CB, (T0329)G210.CA) [> 4.3222 = 7.2038 < 9.3649] w=0.0849 to align # Constraint # added constraint: constraint((T0329)L59.CB, (T0329)I80.CB) [> 3.4389 = 5.7315 < 7.4510] w=0.0848 to align # Constraint # added constraint: constraint((T0329)K127.CB, (T0329)P148.CB) [> 2.9801 = 4.9668 < 6.4568] w=0.0847 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)S132.CB) [> 4.7278 = 7.8797 < 10.2437] w=0.0829 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)G125.CA) [> 3.5713 = 5.9521 < 7.7378] w=0.0788 to align # Constraint # added constraint: constraint((T0329)F29.CB, (T0329)D42.CB) [> 3.7870 = 6.3116 < 8.2051] w=0.0785 to align # Constraint # added constraint: constraint((T0329)D20.CB, (T0329)Q105.CB) [> 3.8912 = 6.4853 < 8.4309] w=0.0778 to align # Constraint # added constraint: constraint((T0329)I114.CB, (T0329)S150.CB) [> 4.3206 = 7.2010 < 9.3614] w=0.0778 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)N208.CB) [> 3.5744 = 5.9573 < 7.7445] w=0.0778 to align # Constraint # added constraint: constraint((T0329)E157.CB, (T0329)A166.CB) [> 4.5783 = 7.6305 < 9.9197] w=0.0778 to align # Constraint # added constraint: constraint((T0329)A54.CB, (T0329)V89.CB) [> 3.4157 = 5.6928 < 7.4007] w=0.0778 to align # Constraint # added constraint: constraint((T0329)I205.CB, (T0329)K231.CB) [> 3.3994 = 5.6656 < 7.3653] w=0.0778 to align # Constraint # added constraint: constraint((T0329)F46.CB, (T0329)I192.CB) [> 3.7263 = 6.2104 < 8.0736] w=0.0778 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)D42.CB) [> 4.1513 = 6.9188 < 8.9944] w=0.0778 to align # Constraint # added constraint: constraint((T0329)A166.CB, (T0329)D193.CB) [> 3.7906 = 6.3176 < 8.2129] w=0.0778 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)T56.CB) [> 4.2165 = 7.0275 < 9.1357] w=0.0778 to align # Constraint # added constraint: constraint((T0329)D152.CB, (T0329)V176.CB) [> 4.5615 = 7.6025 < 9.8832] w=0.0708 to align # Constraint # added constraint: constraint((T0329)A54.CB, (T0329)F73.CB) [> 3.5354 = 5.8924 < 7.6601] w=0.0707 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)A206.CB) [> 3.2564 = 5.4274 < 7.0556] w=0.0707 to align # Constraint # added constraint: constraint((T0329)D11.CB, (T0329)L25.CB) [> 4.3542 = 7.2570 < 9.4341] w=0.0706 to align # Constraint # added constraint: constraint((T0329)V89.CB, (T0329)L155.CB) [> 4.2038 = 7.0063 < 9.1081] w=0.0706 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)D152.CB) [> 4.3975 = 7.3291 < 9.5279] w=0.0706 to align # Constraint # added constraint: constraint((T0329)I114.CB, (T0329)V214.CB) [> 3.3579 = 5.5965 < 7.2755] w=0.0699 to align # Constraint # added constraint: constraint((T0329)L21.CB, (T0329)A54.CB) [> 4.0830 = 6.8051 < 8.8466] w=0.0643 to align # Constraint # added constraint: constraint((T0329)L117.CB, (T0329)T228.CB) [> 4.6919 = 7.8198 < 10.1658] w=0.0637 to align # Constraint # added constraint: constraint((T0329)D189.CB, (T0329)A229.CB) [> 4.1967 = 6.9944 < 9.0927] w=0.0637 to align # Constraint # added constraint: constraint((T0329)Y3.CB, (T0329)A235.CB) [> 4.2840 = 7.1400 < 9.2820] w=0.0637 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)N133.CB) [> 4.5059 = 7.5099 < 9.7629] w=0.0637 to align # Constraint # added constraint: constraint((T0329)L15.CB, (T0329)V143.CB) [> 4.5251 = 7.5419 < 9.8044] w=0.0636 to align # Constraint # added constraint: constraint((T0329)K2.CB, (T0329)D182.CB) [> 3.6491 = 6.0819 < 7.9064] w=0.0636 to align # Constraint # added constraint: constraint((T0329)F38.CB, (T0329)P81.CB) [> 4.2178 = 7.0296 < 9.1385] w=0.0636 to align # Constraint # added constraint: constraint((T0329)V89.CB, (T0329)A138.CB) [> 4.2084 = 7.0140 < 9.1181] w=0.0579 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)Y100.CB) [> 4.3850 = 7.3083 < 9.5008] w=0.0577 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)L25.CB) [> 3.8374 = 6.3957 < 8.3145] w=0.0566 to align # Constraint # added constraint: constraint((T0329)R57.CB, (T0329)R162.CB) [> 3.5198 = 5.8663 < 7.6262] w=0.0566 to align # Constraint # added constraint: constraint((T0329)L70.CB, (T0329)N90.CB) [> 3.7421 = 6.2368 < 8.1079] w=0.0566 to align # Constraint # added constraint: constraint((T0329)V51.CB, (T0329)F73.CB) [> 3.1249 = 5.2082 < 6.7706] w=0.0565 to align # Constraint # added constraint: constraint((T0329)A206.CB, (T0329)A229.CB) [> 3.7825 = 6.3042 < 8.1955] w=0.0565 to align # Constraint # added constraint: constraint((T0329)V52.CB, (T0329)R163.CB) [> 3.3879 = 5.6466 < 7.3405] w=0.0565 to align # Constraint # added constraint: constraint((T0329)K4.CB, (T0329)L121.CB) [> 4.6629 = 7.7715 < 10.1030] w=0.0564 to align # Constraint # added constraint: constraint((T0329)Y61.CB, (T0329)E157.CB) [> 4.0963 = 6.8272 < 8.8754] w=0.0559 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)S159.CB) [> 3.4847 = 5.8079 < 7.5503] w=0.0529 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)I187.CB) [> 4.4459 = 7.4098 < 9.6327] w=0.0516 to align # Constraint # added constraint: constraint((T0329)K183.CB, (T0329)E204.CB) [> 4.3635 = 7.2724 < 9.4542] w=0.0509 to align # Constraint # added constraint: constraint((T0329)E62.CB, (T0329)I161.CB) [> 3.2424 = 5.4040 < 7.0252] w=0.0495 to align # Constraint # added constraint: constraint((T0329)A63.CB, (T0329)R162.CB) [> 3.8729 = 6.4548 < 8.3913] w=0.0495 to align # Constraint # added constraint: constraint((T0329)A63.CB, (T0329)R163.CB) [> 4.3583 = 7.2638 < 9.4429] w=0.0495 to align # Constraint # added constraint: constraint((T0329)V71.CB, (T0329)V89.CB) [> 3.3440 = 5.5732 < 7.2452] w=0.0495 to align # Constraint # added constraint: constraint((T0329)I14.CB, (T0329)L117.CB) [> 4.4674 = 7.4457 < 9.6795] w=0.0495 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)I161.CB) [> 4.1037 = 6.8394 < 8.8913] w=0.0495 to align # Constraint # added constraint: constraint((T0329)V143.CB, (T0329)F153.CB) [> 4.1333 = 6.8889 < 8.9555] w=0.0495 to align # Constraint # added constraint: constraint((T0329)G210.CA, (T0329)A229.CB) [> 4.1744 = 6.9573 < 9.0444] w=0.0495 to align # Constraint # added constraint: constraint((T0329)C184.CB, (T0329)E204.CB) [> 4.3393 = 7.2321 < 9.4017] w=0.0495 to align # Constraint # added constraint: constraint((T0329)C184.CB, (T0329)I205.CB) [> 4.4506 = 7.4177 < 9.6430] w=0.0495 to align # Constraint # added constraint: constraint((T0329)L70.CB, (T0329)N133.CB) [> 4.1347 = 6.8911 < 8.9584] w=0.0495 to align # Constraint # added constraint: constraint((T0329)N208.CB, (T0329)V224.CB) [> 4.5583 = 7.5971 < 9.8762] w=0.0432 to align # Constraint # added constraint: constraint((T0329)T108.CB, (T0329)E144.CB) [> 4.6769 = 7.7948 < 10.1332] w=0.0425 to align # Constraint # added constraint: constraint((T0329)V52.CB, (T0329)V71.CB) [> 3.5889 = 5.9814 < 7.7758] w=0.0425 to align # Constraint # added constraint: constraint((T0329)L21.CB, (T0329)T39.CB) [> 4.2783 = 7.1305 < 9.2697] w=0.0425 to align # Constraint # added constraint: constraint((T0329)A63.CB, (T0329)I161.CB) [> 2.9409 = 4.9014 < 6.3718] w=0.0425 to align # Constraint # added constraint: constraint((T0329)S69.CB, (T0329)N133.CB) [> 4.5924 = 7.6540 < 9.9503] w=0.0425 to align # Constraint # added constraint: constraint((T0329)A54.CB, (T0329)N133.CB) [> 3.7976 = 6.3293 < 8.2281] w=0.0425 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)N133.CB) [> 4.6799 = 7.7998 < 10.1398] w=0.0425 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)A154.CB) [> 4.1023 = 6.8371 < 8.8882] w=0.0425 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)T39.CB) [> 3.3918 = 5.6531 < 7.3490] w=0.0425 to align # Constraint # added constraint: constraint((T0329)G64.CA, (T0329)P135.CB) [> 3.7064 = 6.1773 < 8.0305] w=0.0354 to align # Constraint # added constraint: constraint((T0329)L70.CB, (T0329)F96.CB) [> 3.7175 = 6.1959 < 8.0547] w=0.0354 to align # Constraint # added constraint: constraint((T0329)K134.CB, (T0329)A154.CB) [> 3.5718 = 5.9531 < 7.7390] w=0.0354 to align # Constraint # added constraint: constraint((T0329)A58.CB, (T0329)V89.CB) [> 3.8269 = 6.3782 < 8.2917] w=0.0354 to align # Constraint # added constraint: constraint((T0329)V51.CB, (T0329)L70.CB) [> 3.5454 = 5.9090 < 7.6817] w=0.0283 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)N133.CB) [> 4.5624 = 7.6040 < 9.8852] w=0.0283 to align # Constraint # added constraint: constraint((T0329)S66.CB, (T0329)S132.CB) [> 4.7251 = 7.8752 < 10.2378] w=0.0283 to align # Constraint # added constraint: constraint((T0329)Y100.CB, (T0329)A154.CB) [> 4.0607 = 6.7678 < 8.7981] w=0.0283 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)L25.CB) [> 4.6620 = 7.7699 < 10.1009] w=0.0283 to align # Constraint # added constraint: constraint((T0329)A58.CB, (T0329)S190.CB) [> 4.3413 = 7.2355 < 9.4061] w=0.0282 to align # Constraint # added constraint: constraint((T0329)L59.CB, (T0329)V71.CB) [> 3.8939 = 6.4898 < 8.4367] w=0.0276 to align # Constraint # added constraint: constraint((T0329)N133.CB, (T0329)L155.CB) [> 4.1784 = 6.9640 < 9.0533] w=0.0226 to align # Constraint # added constraint: constraint((T0329)Y61.CB, (T0329)G74.CA) [> 4.1224 = 6.8706 < 8.9318] w=0.0212 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)S132.CB) [> 4.6960 = 7.8267 < 10.1747] w=0.0212 to align # Constraint # added constraint: constraint((T0329)T13.CB, (T0329)V226.CB) [> 2.7055 = 4.5091 < 5.8618] w=0.0212 to align # Constraint # added constraint: constraint((T0329)G188.CA, (T0329)V226.CB) [> 2.7790 = 4.6317 < 6.0212] w=0.0212 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)I205.CB) [> 4.7652 = 7.9419 < 10.3245] w=0.0212 to align # Constraint # added constraint: constraint((T0329)M1.CB, (T0329)V126.CB) [> 4.6269 = 7.7115 < 10.0250] w=0.0212 to align # Constraint # added constraint: constraint((T0329)M1.CB, (T0329)K124.CB) [> 2.9827 = 4.9711 < 6.4625] w=0.0212 to align # Constraint # added constraint: constraint((T0329)T17.CB, (T0329)A138.CB) [> 4.6372 = 7.7287 < 10.0473] w=0.0212 to align # Constraint # added constraint: constraint((T0329)M10.CB, (T0329)S150.CB) [> 4.1799 = 6.9665 < 9.0564] w=0.0212 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)A229.CB) [> 3.7837 = 6.3061 < 8.1979] w=0.0212 to align # Constraint # added constraint: constraint((T0329)A6.CB, (T0329)L25.CB) [> 4.7207 = 7.8678 < 10.2282] w=0.0212 to align # Constraint # added constraint: constraint((T0329)D9.CB, (T0329)F211.CB) [> 4.3339 = 7.2232 < 9.3902] w=0.0212 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)A63.CB) [> 4.2056 = 7.0093 < 9.1120] w=0.0212 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)V89.CB) [> 4.2823 = 7.1372 < 9.2783] w=0.0206 to align # Constraint # added constraint: constraint((T0329)F8.CB, (T0329)V207.CB) [> 4.4451 = 7.4085 < 9.6310] w=0.0193 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)G74.CA) [> 4.0251 = 6.7085 < 8.7211] w=0.0153 to align # Constraint # added constraint: constraint((T0329)Y100.CB, (T0329)G156.CA) [> 3.1120 = 5.1867 < 6.7427] w=0.0142 to align # Constraint # added constraint: constraint((T0329)A63.CB, (T0329)G160.CA) [> 4.4876 = 7.4794 < 9.7232] w=0.0142 to align # Constraint # added constraint: constraint((T0329)V131.CB, (T0329)G188.CA) [> 4.7616 = 7.9360 < 10.3168] w=0.0142 to align # Constraint # added constraint: constraint((T0329)V71.CB, (T0329)N133.CB) [> 2.9511 = 4.9185 < 6.3941] w=0.0142 to align # Constraint # added constraint: constraint((T0329)L155.CB, (T0329)S190.CB) [> 4.4138 = 7.3563 < 9.5632] w=0.0142 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)S66.CB) [> 4.6144 = 7.6907 < 9.9979] w=0.0142 to align # Constraint # added constraint: constraint((T0329)G210.CA, (T0329)V224.CB) [> 3.9879 = 6.6465 < 8.6404] w=0.0142 to align # Constraint # added constraint: constraint((T0329)F46.CB, (T0329)S69.CB) [> 4.3888 = 7.3146 < 9.5090] w=0.0071 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)S69.CB) [> 3.8053 = 6.3422 < 8.2448] w=0.0071 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)L70.CB) [> 4.5598 = 7.5997 < 9.8796] w=0.0071 to align # Constraint # added constraint: constraint((T0329)I43.CB, (T0329)S190.CB) [> 4.5069 = 7.5115 < 9.7650] w=0.0071 to align # Constraint # added constraint: constraint((T0329)K2.CB, (T0329)R181.CB) [> 4.7210 = 7.8683 < 10.2288] w=0.0071 to align # Constraint # added constraint: constraint((T0329)N26.CB, (T0329)V71.CB) [> 3.0835 = 5.1393 < 6.6810] w=0.0071 to align # Constraint # added constraint: constraint((T0329)E204.CB, (T0329)E239.CB) [> 4.2294 = 7.0490 < 9.1637] w=0.0071 to align # Constraint # added constraint: constraint((T0329)D203.CB, (T0329)E239.CB) [> 3.5039 = 5.8399 < 7.5918] w=0.0071 to align # Constraint # added constraint: constraint((T0329)L25.CB, (T0329)A229.CB) [> 3.9301 = 6.5501 < 8.5152] w=0.0071 to align # Constraint # added constraint: constraint((T0329)V89.CB, (T0329)N133.CB) [> 2.9325 = 4.8876 < 6.3539] w=0.0071 to align # Constraint # added constraint: constraint((T0329)S190.CB, (T0329)I205.CB) [> 1.8850 = 3.1417 < 4.0842] w=0.0071 to align # Constraint # added constraint: constraint((T0329)K183.CB, (T0329)I205.CB) [> 4.4653 = 7.4422 < 9.6749] w=0.0007 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0329/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0329/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # choosing archetypes in rotamer library # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 211 # 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 233 # 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 167 # 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 220 # 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 148 # 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 234 # 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 228 # 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 214 # 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 186 # 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 184 # 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 152 # 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 212 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 146 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 238 # 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 232 # 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 T0329 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 T0329 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 T0329 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 232 # 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 T0329 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 238 # 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 T0329 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 T0329 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 T0329 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 78 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 159 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 Skipped atom 38, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL1.pdb.gz # WARNING: incomplete conformation T0329 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 # WARNING: incomplete conformation T0329 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 T0329 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 # WARNING: incomplete conformation T0329 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 T0329 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 T0329 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 38, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 106, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 108, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 270, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 272, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 514, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz Skipped atom 516, because occupancy 1.000 <= existing 1.000 in servers/FORTE2_AL2.pdb.gz # WARNING: incomplete conformation T0329 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 T0329 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 # WARNING: incomplete conformation T0329 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 T0329 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 228 # 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 221 # 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 # Found a chain break before 183 # copying to AlignedFragments data structure # 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 238 # 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 196 # 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 T0329 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 230 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 T0329 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 T0329 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # Found a chain break before 238 # 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 238 # 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 238 # 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 238 # 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 230 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # Found a chain break before 151 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 219 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 216 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # 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 33 # 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 T0329 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 95 # 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 160 # 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 # Found a chain break before 230 # copying to AlignedFragments data structure # 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 149 # 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 223 # 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 190 # 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 # Found a chain break before 160 # copying to AlignedFragments data structure # 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 156 # 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 # Found a chain break before 213 # copying to AlignedFragments data structure # 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 160 # 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 225 # 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 224 # 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 226 # 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 222 # 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 237 # 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 T0329 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # 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 # Found a chain break before 215 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 182 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 216 # 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 200 # 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 215 # 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 T0329 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 T0329 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 T0329 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 T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 T0329 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 236 # 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 214 # 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 214 # 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 # Found a chain break before 207 # 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 T0329 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 213 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 T0329 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 132 # 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 211 # 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 # Found a chain break before 149 # 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 164 # 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 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 147 # 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 179 # 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 164 # 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 38 # 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 # Found a chain break before 209 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 212 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 237 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 214 # 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 146 # 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 193 # 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 195 # 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 211 # 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 213 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # Found a chain break before 163 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # Found a chain break before 132 # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # Found a chain break before 113 # 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 # WARNING: incomplete conformation T0329 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 T0329 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 T0329 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 T0329 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL4 # ReadConformPDB reading from PDB file servers/SAM-T02_AL5.pdb.gz looking for model 1 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL5.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 # WARNING: incomplete conformation T0329 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 Skipped atom 11, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 376, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM-T99_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 230 # 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 T0329 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 T0329 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 T0329 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 T0329 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 164 # 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 164 # 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 149 # 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 60 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 150 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 60 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 183 # 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 141 # 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 102 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 184 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 190 # 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 212 # 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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 Skipped atom 34, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 36, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 98, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 100, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 102, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 104, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 506, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 508, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 510, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 512, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 Skipped atom 310, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 314, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 316, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 362, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 364, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 366, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 368, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 382, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 384, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 394, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 396, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 666, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 668, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 670, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz Skipped atom 672, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL5.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 185 # 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 227 # 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 220 # 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 208 # 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 165 # 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 238 # 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 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 T0329 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/gtg_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL1 # ReadConformPDB reading from PDB file servers/gtg_AL2.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 194, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 196, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 198, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 200, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 494, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 496, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 498, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz Skipped atom 500, because occupancy 1.000 <= existing 1.000 in servers/gtg_AL2.pdb.gz # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL2 # ReadConformPDB reading from PDB file servers/gtg_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL3 # ReadConformPDB reading from PDB file servers/gtg_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL4 # ReadConformPDB reading from PDB file servers/gtg_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # naming current conformation gtg_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 210 # 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 214 # 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 212 # 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 211 # 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 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 236 # 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 # Found a chain break before 237 # 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 233 # 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 WARNING: atoms too close: (T0329)D11.O and (T0329)G12.N only 0.000 apart, marking (T0329)G12.N as missing # WARNING: incomplete conformation T0329 can't currently be optimized by undertaker # 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 236 # 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 T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 T0329 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # Found a chain break before 214 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # Found a chain break before 213 # copying to AlignedFragments data structure # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 T0329 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 T0329 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 T0329 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0329 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 T0329 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: incomplete conformation T0329 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 # Found a chain break before 238 # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 267 model score -0.2423 model score -0.2437 model score -0.2795 model score -0.2442 model score -0.0952 model score -0.0460 model score -0.0454 model score -0.0466 model score -0.0448 model score -0.0491 model score -0.0551 model score -0.0191 model score -0.0306 model score -0.3131 model score -0.0436 model score -0.5342 model score 1.2539 model score 1.4139 model score 1.3827 model score 1.6596 model score 1.8716 model score 2.0414 model score 1.6413 model score 2.0293 model score 1.8309 model score -0.5631 model score -0.4617 model score -0.4638 model score -0.4579 model score -0.3538 model score 0.5121 model score -0.5128 model score -0.5142 model score -0.4926 model score -0.4913 model score -0.5003 model score -0.0857 model score 0.2230 model score 0.0761 model score -0.3303 model score -0.1608 model score 0.0597 model score 1.2717 model score 1.2699 model score 1.2694 model score 1.2696 model score 1.2701 model score -0.5195 model score -0.4913 model score -0.4401 model score -0.5158 model score -0.3694 model score -0.5029 model score -0.5003 model score -0.5003 model score -0.4926 model score -0.5158 model score -0.5652 model score 1.1682 model score 0.6921 model score 1.1806 model score 1.0327 model score 1.2697 model score 1.2670 model score 1.2690 model score 1.2704 model score 1.2698 model score 1.2670 model score 1.2697 model score 1.2704 model score 1.2698 model score 1.2690 model score 2.4894 model score 2.3429 model score 2.3902 model score 2.2543 model score 2.2453 model score -0.1108 model score -0.4554 model score -0.4819 model score 0.2959 model score -0.0347 model score 1.2693 model score 1.2670 model score 1.2664 model score 1.2674 model score -0.5029 model score -0.4477 model score -0.3152 model score -0.3643 model score -0.2502 model score -0.4720 model score -0.2541 model score -0.2679 model score -0.2591 model score -0.1259 model score -0.4543 model score -0.5001 model score -0.4692 model score -0.4827 model score -0.3642 model score -0.5142 model score -0.5626 model score -0.5835 model score -0.4785 model score -0.1874 model score 0.0679 model score -0.2423 model score -0.1446 model score -0.3773 model score -0.1958 model score -0.2740 model score -0.1797 model score 0.0702 model score 1.2771 model score -0.3191 model score -0.4190 model score -0.4959 model score -0.4805 model score -0.2555 model score -0.3218 model score -0.4190 model score -0.4991 model score -0.5044 model score -0.4280 model score -0.5442 model score -0.5467 model score -0.5458 model score -0.5014 model score -0.5387 model score -0.3211 model score -0.4645 model score -0.4703 model score -0.4468 model score -0.4696 model score -0.4455 model score -0.4397 model score -0.4787 model score -0.4447 model score -0.3817 model score -0.4462 model score -0.4795 model score -0.4872 model score -0.4636 model score -0.5118 model score -0.4433 model score -0.4448 model score -0.4483 model score -0.4828 model score -0.4954 model score -0.4828 model score -0.4542 model score -0.5118 model score -0.4679 model score -0.4991 model score -0.4623 model score -0.4623 model score -0.4624 model score -0.4931 model score -0.5100 model score -0.4737 model score -0.4569 model score -0.4587 model score -0.4885 model score -0.4233 model score -0.3568 model score -0.0624 model score -0.4920 model score -0.4907 model score -0.4591 model score -0.3678 model score -0.0679 model score -0.3335 model score -0.3190 model score -0.2510 model score -0.4458 model score -0.4679 model score -0.4933 model score -0.4435 model score 0.0965 model score 0.0689 model score -0.3276 model score 1.2670 model score 1.2703 model score 1.2677 model score 1.2672 model score 1.2696 model score 1.2670 model score 1.2671 model score 1.2696 model score 1.2672 model score 1.2677 model score -0.4652 model score -0.0798 model score -0.2956 model score -0.3151 model score -0.0817 model score -0.4737 model score -0.2481 model score -0.5100 model score -0.3228 model score 0.1058 model score -0.5169 model score -0.4784 model score -0.3178 model score -0.2641 model score 0.1012 model score -0.4834 model score -0.2473 model score 0.1058 model score -0.3275 model score -0.2995 model score 1.2670 model score 1.2664 model score 1.2697 model score 1.2703 model score 1.2675 model score -0.5297 model score 1.2670 model score 1.2664 model score 1.2697 model score 1.2703 model score 1.2675 model score -0.5491 model score -0.5709 model score -0.5742 model score -0.5913 model score -0.3021 model score -0.4806 model score -0.4655 model score 1.2698 model score 1.2671 model score 1.2837 model score 1.2704 model score 1.2688 model score 1.2670 model score 1.2697 model score 1.2684 model score 1.2697 model score 1.2727 model score -0.4889 model score -0.4708 model score -0.4763 model score -0.4592 model score -0.4815 model score 2.1436 model score 2.1499 model score 2.1671 model score 1.8738 model score 2.2989 model score -0.4906 model score -0.2211 model score -0.4069 model score -0.4134 model score -0.4397 model score -0.4523 model score -0.4808 model score -0.4372 model score -0.4911 model score -0.5137 model score -0.3211 model score -0.0569 model score -0.1764 model score -0.5034 model score -0.2278 model score -0.3475 model score -0.5581 weight: 0.8981 eval: -0.2423 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-0.5913 max: 2.4894 weight: 0.9941 eval: -0.5709 min: -0.5913 max: 2.4894 weight: 0.9950 eval: -0.5742 min: -0.5913 max: 2.4894 weight: 1.0000 eval: -0.5913 min: -0.5913 max: 2.4894 weight: 0.9155 eval: -0.3021 min: -0.5913 max: 2.4894 weight: 0.9676 eval: -0.4806 min: -0.5913 max: 2.4894 weight: 0.9632 eval: -0.4655 min: -0.5913 max: 2.4894 weight: 0.4563 eval: 1.2698 min: -0.5913 max: 2.4894 weight: 0.4571 eval: 1.2671 min: -0.5913 max: 2.4894 weight: 0.4522 eval: 1.2837 min: -0.5913 max: 2.4894 weight: 0.4561 eval: 1.2704 min: -0.5913 max: 2.4894 weight: 0.4566 eval: 1.2688 min: -0.5913 max: 2.4894 weight: 0.4571 eval: 1.2670 min: -0.5913 max: 2.4894 weight: 0.4563 eval: 1.2697 min: -0.5913 max: 2.4894 weight: 0.4567 eval: 1.2684 min: -0.5913 max: 2.4894 weight: 0.4563 eval: 1.2697 min: -0.5913 max: 2.4894 weight: 0.4554 eval: 1.2727 min: -0.5913 max: 2.4894 weight: 0.9701 eval: -0.4889 min: -0.5913 max: 2.4894 weight: 0.9648 eval: -0.4708 min: -0.5913 max: 2.4894 weight: 0.9664 eval: -0.4763 min: -0.5913 max: 2.4894 weight: 0.9614 eval: -0.4592 min: -0.5913 max: 2.4894 weight: 0.9679 eval: -0.4815 min: -0.5913 max: 2.4894 weight: 0.2010 eval: 2.1436 min: -0.5913 max: 2.4894 weight: 0.1992 eval: 2.1499 min: -0.5913 max: 2.4894 weight: 0.1942 eval: 2.1671 min: -0.5913 max: 2.4894 weight: 0.2799 eval: 1.8738 min: -0.5913 max: 2.4894 weight: 0.1557 eval: 2.2989 min: -0.5913 max: 2.4894 weight: 0.9706 eval: -0.4906 min: -0.5913 max: 2.4894 weight: 0.8919 eval: -0.2211 min: -0.5913 max: 2.4894 weight: 0.9461 eval: -0.4069 min: -0.5913 max: 2.4894 weight: 0.9480 eval: -0.4134 min: -0.5913 max: 2.4894 weight: 0.9557 eval: -0.4397 min: -0.5913 max: 2.4894 weight: 0.9594 eval: -0.4523 min: -0.5913 max: 2.4894 weight: 0.9677 eval: -0.4808 min: -0.5913 max: 2.4894 weight: 0.9550 eval: -0.4372 min: -0.5913 max: 2.4894 weight: 0.9707 eval: -0.4911 min: -0.5913 max: 2.4894 weight: 0.9773 eval: -0.5137 min: -0.5913 max: 2.4894 weight: 0.9211 eval: -0.3211 min: -0.5913 max: 2.4894 weight: 0.8439 eval: -0.0569 min: -0.5913 max: 2.4894 weight: 0.8788 eval: -0.1764 min: -0.5913 max: 2.4894 weight: 0.9743 eval: -0.5034 min: -0.5913 max: 2.4894 weight: 0.8938 eval: -0.2278 min: -0.5913 max: 2.4894 weight: 0.9288 eval: -0.3475 min: -0.5913 max: 2.4894 weight: 0.9903 eval: -0.5581 min: -0.5913 max: 2.4894 Adding 8077 constraints to all2.constraints Done adding distance constraints # command:Reading probabilities from probabilities.dat Reading constraints from ConstraintSet all2.constraints maxweight: 1.0000 Optimizing... Probability sum: -412.5141, CN propb: -412.5141 weights: 0.4535 constraints: 596 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 596 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 596 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 7481 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 7481 # command:Found ConstraintSet # PrintContacts non_contacts.constraints_meta02 Number of constraints in noncontact2.constraints 0 # command:Found ConstraintSet # PrintContacts non_contacts_bonus.constraints_meta02 Number of constraints in noncontact2.constraints.bonus 0 # command:Found ConstraintSet # PrintContacts all.constraints_meta02 Number of constraints in all2.constraints 8077 # command: