# 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/T0363/ # command:# Making conformation for sequence T0363 numbered 1 through 97 Created new target T0363 from T0363.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0363/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0363//projects/compbio/experiments/protein-predict/casp7/T0363/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0363//projects/compbio/experiments/protein-predict/casp7/T0363/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0363/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0363/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((T0363)V32.CB, (T0363)A41.CB) [> 3.2691 = 5.4485 < 7.0831] w=1.0000 to align # Constraint # added constraint: constraint((T0363)F30.CB, (T0363)A41.CB) [> 3.6608 = 6.1013 < 7.9316] w=0.9928 to align # Constraint # added constraint: constraint((T0363)F30.CB, (T0363)S45.CB) [> 3.5531 = 5.9218 < 7.6983] w=0.8296 to align # Constraint # added constraint: constraint((T0363)V38.CB, (T0363)I61.CB) [> 3.8321 = 6.3868 < 8.3028] w=0.8070 to align # Constraint # added constraint: constraint((T0363)I42.CB, (T0363)I61.CB) [> 4.2333 = 7.0555 < 9.1722] w=0.7939 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)F30.CB) [> 3.4901 = 5.8169 < 7.5619] w=0.7537 to align # Constraint # added constraint: constraint((T0363)N14.CB, (T0363)S29.CB) [> 3.5938 = 5.9897 < 7.7866] w=0.7537 to align # Constraint # added constraint: constraint((T0363)I42.CB, (T0363)L56.CB) [> 3.2980 = 5.4966 < 7.1456] w=0.7231 to align # Constraint # added constraint: constraint((T0363)V38.CB, (T0363)I68.CB) [> 3.4263 = 5.7106 < 7.4237] w=0.7105 to align # Constraint # added constraint: constraint((T0363)K28.CB, (T0363)S45.CB) [> 4.1761 = 6.9601 < 9.0482] w=0.7030 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)S29.CB) [> 4.4846 = 7.4743 < 9.7166] w=0.6913 to align # Constraint # added constraint: constraint((T0363)I63.CB, (T0363)D78.CB) [> 3.7557 = 6.2594 < 8.1373] w=0.6878 to align # Constraint # added constraint: constraint((T0363)I61.CB, (T0363)I82.CB) [> 3.4704 = 5.7840 < 7.5192] w=0.6865 to align # Constraint # added constraint: constraint((T0363)I36.CB, (T0363)V73.CB) [> 4.1426 = 6.9043 < 8.9755] w=0.6768 to align # Constraint # added constraint: constraint((T0363)N14.CB, (T0363)F30.CB) [> 4.4337 = 7.3894 < 9.6062] w=0.6565 to align # Constraint # added constraint: constraint((T0363)I63.CB, (T0363)I80.CB) [> 3.1480 = 5.2467 < 6.8207] w=0.6470 to align # Constraint # added constraint: constraint((T0363)G62.CA, (T0363)I80.CB) [> 3.6058 = 6.0096 < 7.8125] w=0.6470 to align # Constraint # added constraint: constraint((T0363)I61.CB, (T0363)I80.CB) [> 3.4182 = 5.6970 < 7.4062] w=0.6470 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)F30.CB) [> 3.6039 = 6.0064 < 7.8084] w=0.6469 to align # Constraint # added constraint: constraint((T0363)G62.CA, (T0363)E81.CB) [> 2.9176 = 4.8627 < 6.3215] w=0.6414 to align # Constraint # added constraint: constraint((T0363)I61.CB, (T0363)E81.CB) [> 4.1106 = 6.8509 < 8.9062] w=0.6414 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)V32.CB) [> 3.5062 = 5.8437 < 7.5968] w=0.6394 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)L27.CB) [> 3.5376 = 5.8960 < 7.6648] w=0.6310 to align # Constraint # added constraint: constraint((T0363)T37.CB, (T0363)T71.CB) [> 3.7215 = 6.2025 < 8.0632] w=0.6189 to align # Constraint # added constraint: constraint((T0363)K60.CB, (T0363)I82.CB) [> 4.3407 = 7.2345 < 9.4049] w=0.6171 to align # Constraint # added constraint: constraint((T0363)Q39.CB, (T0363)L56.CB) [> 3.9007 = 6.5012 < 8.4516] w=0.6138 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)S29.CB) [> 4.5380 = 7.5634 < 9.8324] w=0.6044 to align # Constraint # added constraint: constraint((T0363)G62.CA, (T0363)I82.CB) [> 4.5560 = 7.5933 < 9.8713] w=0.5891 to align # Constraint # added constraint: constraint((T0363)Q39.CB, (T0363)L70.CB) [> 2.6420 = 4.4033 < 5.7244] w=0.5868 to align # Constraint # added constraint: constraint((T0363)I63.CB, (T0363)L74.CB) [> 3.8807 = 6.4678 < 8.4081] w=0.5727 to align # Constraint # added constraint: constraint((T0363)V38.CB, (T0363)L70.CB) [> 3.2016 = 5.3360 < 6.9368] w=0.5682 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)K28.CB) [> 3.4072 = 5.6786 < 7.3822] w=0.5679 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)I80.CB) [> 4.2048 = 7.0080 < 9.1104] w=0.5653 to align # Constraint # added constraint: constraint((T0363)N59.CB, (T0363)I82.CB) [> 3.3883 = 5.6471 < 7.3412] w=0.5625 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)L74.CB) [> 3.8841 = 6.4735 < 8.4155] w=0.5550 to align # Constraint # added constraint: constraint((T0363)I63.CB, (T0363)R79.CB) [> 4.1470 = 6.9117 < 8.9852] w=0.5550 to align # Constraint # added constraint: constraint((T0363)T43.CB, (T0363)L56.CB) [> 3.6414 = 6.0691 < 7.8898] w=0.5530 to align # Constraint # added constraint: constraint((T0363)F30.CB, (T0363)Q44.CB) [> 3.4483 = 5.7472 < 7.4714] w=0.5495 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)L27.CB) [> 3.1824 = 5.3040 < 6.8952] w=0.5444 to align # Constraint # added constraint: constraint((T0363)I42.CB, (T0363)L70.CB) [> 4.1364 = 6.8939 < 8.9621] w=0.5392 to align # Constraint # added constraint: constraint((T0363)I63.CB, (T0363)E81.CB) [> 4.2851 = 7.1418 < 9.2843] w=0.5375 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)I80.CB) [> 3.2157 = 5.3596 < 6.9674] w=0.5348 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)G77.CA) [> 3.8606 = 6.4344 < 8.3647] w=0.5287 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)D78.CB) [> 3.8836 = 6.4727 < 8.4145] w=0.5247 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)K28.CB) [> 4.4822 = 7.4704 < 9.7115] w=0.5245 to align # Constraint # added constraint: constraint((T0363)V32.CB, (T0363)Q44.CB) [> 4.1768 = 6.9613 < 9.0497] w=0.5241 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)A41.CB) [> 4.1348 = 6.8913 < 8.9587] w=0.5236 to align # Constraint # added constraint: constraint((T0363)Q12.CB, (T0363)Q31.CB) [> 3.3830 = 5.6383 < 7.3298] w=0.5200 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)Q31.CB) [> 4.3689 = 7.2814 < 9.4658] w=0.4983 to align # Constraint # added constraint: constraint((T0363)A41.CB, (T0363)I80.CB) [> 4.3351 = 7.2252 < 9.3928] w=0.4938 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)S29.CB) [> 3.4336 = 5.7226 < 7.4394] w=0.4873 to align # Constraint # added constraint: constraint((T0363)Q12.CB, (T0363)V32.CB) [> 4.2648 = 7.1080 < 9.2404] w=0.4711 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)A41.CB) [> 4.0007 = 6.6679 < 8.6682] w=0.4697 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)L27.CB) [> 4.1923 = 6.9872 < 9.0833] w=0.4686 to align # Constraint # added constraint: constraint((T0363)K60.CB, (T0363)Y83.CB) [> 3.0826 = 5.1377 < 6.6790] w=0.4567 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)V32.CB) [> 3.7129 = 6.1881 < 8.0445] w=0.4546 to align # Constraint # added constraint: constraint((T0363)N14.CB, (T0363)Q31.CB) [> 3.2123 = 5.3539 < 6.9601] w=0.4546 to align # Constraint # added constraint: constraint((T0363)I42.CB, (T0363)N59.CB) [> 3.5420 = 5.9033 < 7.6743] w=0.4422 to align # Constraint # added constraint: constraint((T0363)A41.CB, (T0363)I61.CB) [> 4.2086 = 7.0143 < 9.1186] w=0.4256 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)K75.CB) [> 4.0732 = 6.7886 < 8.8252] w=0.4190 to align # Constraint # added constraint: constraint((T0363)E34.CB, (T0363)L74.CB) [> 4.2397 = 7.0661 < 9.1860] w=0.4133 to align # Constraint # added constraint: constraint((T0363)N59.CB, (T0363)Y83.CB) [> 4.2989 = 7.1648 < 9.3142] w=0.3985 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)E34.CB) [> 3.4524 = 5.7540 < 7.4802] w=0.3972 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)D33.CB) [> 4.6054 = 7.6757 < 9.9784] w=0.3699 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)D78.CB) [> 4.2768 = 7.1280 < 9.2664] w=0.3685 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)I80.CB) [> 3.0873 = 5.1455 < 6.6892] w=0.3685 to align # Constraint # added constraint: constraint((T0363)I54.CB, (T0363)I82.CB) [> 4.1802 = 6.9669 < 9.0570] w=0.3594 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)Y25.CB) [> 3.5267 = 5.8779 < 7.6412] w=0.3566 to align # Constraint # added constraint: constraint((T0363)I13.CB, (T0363)S29.CB) [> 4.4481 = 7.4135 < 9.6376] w=0.3458 to align # Constraint # added constraint: constraint((T0363)N14.CB, (T0363)K28.CB) [> 4.3880 = 7.3133 < 9.5073] w=0.3458 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)K28.CB) [> 3.2336 = 5.3894 < 7.0062] w=0.3458 to align # Constraint # added constraint: constraint((T0363)G46.CA, (T0363)D55.CB) [> 4.3938 = 7.3230 < 9.5199] w=0.3404 to align # Constraint # added constraint: constraint((T0363)F64.CB, (T0363)D78.CB) [> 3.9700 = 6.6166 < 8.6016] w=0.3403 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)L74.CB) [> 3.6800 = 6.1334 < 7.9734] w=0.3379 to align # Constraint # added constraint: constraint((T0363)I42.CB, (T0363)I54.CB) [> 2.9892 = 4.9820 < 6.4767] w=0.3359 to align # Constraint # added constraint: constraint((T0363)K60.CB, (T0363)P85.CB) [> 3.6632 = 6.1053 < 7.9369] w=0.3299 to align # Constraint # added constraint: constraint((T0363)T58.CB, (T0363)P85.CB) [> 3.6342 = 6.0570 < 7.8741] w=0.3299 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)Y26.CB) [> 4.2535 = 7.0891 < 9.2159] w=0.3210 to align # Constraint # added constraint: constraint((T0363)I68.CB, (T0363)I80.CB) [> 4.3632 = 7.2720 < 9.4536] w=0.3116 to align # Constraint # added constraint: constraint((T0363)G62.CA, (T0363)Y83.CB) [> 4.4210 = 7.3683 < 9.5788] w=0.3107 to align # Constraint # added constraint: constraint((T0363)Q12.CB, (T0363)F30.CB) [> 4.2517 = 7.0862 < 9.2121] w=0.3009 to align # Constraint # added constraint: constraint((T0363)V38.CB, (T0363)I63.CB) [> 4.3643 = 7.2739 < 9.4561] w=0.3006 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)K28.CB) [> 4.4245 = 7.3742 < 9.5865] w=0.2968 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)R79.CB) [> 3.4534 = 5.7556 < 7.4823] w=0.2941 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)I80.CB) [> 4.2646 = 7.1077 < 9.2400] w=0.2941 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)E81.CB) [> 3.2302 = 5.3837 < 6.9989] w=0.2941 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)I82.CB) [> 4.1412 = 6.9020 < 8.9726] w=0.2941 to align # Constraint # added constraint: constraint((T0363)K28.CB, (T0363)I47.CB) [> 3.6366 = 6.0609 < 7.8792] w=0.2796 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)Y26.CB) [> 3.3957 = 5.6595 < 7.3573] w=0.2792 to align # Constraint # added constraint: constraint((T0363)I61.CB, (T0363)L70.CB) [> 3.9802 = 6.6337 < 8.6237] w=0.2769 to align # Constraint # added constraint: constraint((T0363)P22.CB, (T0363)I82.CB) [> 3.7404 = 6.2340 < 8.1041] w=0.2723 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)F30.CB) [> 4.5931 = 7.6551 < 9.9517] w=0.2659 to align # Constraint # added constraint: constraint((T0363)N59.CB, (T0363)P85.CB) [> 4.4187 = 7.3645 < 9.5739] w=0.2590 to align # Constraint # added constraint: constraint((T0363)F30.CB, (T0363)I47.CB) [> 4.2634 = 7.1056 < 9.2373] w=0.2575 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)E81.CB) [> 4.6082 = 7.6804 < 9.9845] w=0.2534 to align # Constraint # added constraint: constraint((T0363)N14.CB, (T0363)L27.CB) [> 3.3799 = 5.6332 < 7.3232] w=0.2516 to align # Constraint # added constraint: constraint((T0363)K28.CB, (T0363)L48.CB) [> 3.2798 = 5.4664 < 7.1062] w=0.2385 to align # Constraint # added constraint: constraint((T0363)I61.CB, (T0363)Y83.CB) [> 4.5513 = 7.5855 < 9.8612] w=0.2369 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)L27.CB) [> 4.2667 = 7.1112 < 9.2445] w=0.2206 to align # Constraint # added constraint: constraint((T0363)S65.CB, (T0363)E81.CB) [> 4.4286 = 7.3809 < 9.5952] w=0.2181 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)K28.CB) [> 3.3438 = 5.5730 < 7.2449] w=0.2161 to align # Constraint # added constraint: constraint((T0363)F30.CB, (T0363)L48.CB) [> 4.0451 = 6.7418 < 8.7644] w=0.2161 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)I61.CB) [> 4.5595 = 7.5992 < 9.8790] w=0.2141 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)I42.CB) [> 3.8616 = 6.4360 < 8.3669] w=0.2079 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)F30.CB) [> 4.2472 = 7.0786 < 9.2022] w=0.2079 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)S29.CB) [> 3.0656 = 5.1093 < 6.6421] w=0.2079 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)V32.CB) [> 2.9282 = 4.8803 < 6.3444] w=0.2079 to align # Constraint # added constraint: constraint((T0363)F21.CB, (T0363)I82.CB) [> 3.4345 = 5.7241 < 7.4413] w=0.2029 to align # Constraint # added constraint: constraint((T0363)N11.CB, (T0363)E34.CB) [> 3.2907 = 5.4845 < 7.1299] w=0.1998 to align # Constraint # added constraint: constraint((T0363)N14.CB, (T0363)V32.CB) [> 4.5547 = 7.5912 < 9.8685] w=0.1993 to align # Constraint # added constraint: constraint((T0363)V32.CB, (T0363)L74.CB) [> 3.9254 = 6.5423 < 8.5050] w=0.1989 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)I82.CB) [> 3.0117 = 5.0195 < 6.5254] w=0.1967 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)F30.CB) [> 4.6217 = 7.7028 < 10.0137] w=0.1940 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)I47.CB) [> 3.3650 = 5.6083 < 7.2908] w=0.1921 to align # Constraint # added constraint: constraint((T0363)S65.CB, (T0363)R79.CB) [> 4.1882 = 6.9803 < 9.0744] w=0.1787 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)S29.CB) [> 4.6478 = 7.7463 < 10.0702] w=0.1725 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)I61.CB) [> 4.5005 = 7.5008 < 9.7510] w=0.1719 to align # Constraint # added constraint: constraint((T0363)T40.CB, (T0363)L74.CB) [> 4.5976 = 7.6627 < 9.9615] w=0.1703 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)I82.CB) [> 4.2134 = 7.0224 < 9.1291] w=0.1609 to align # Constraint # added constraint: constraint((T0363)F21.CB, (T0363)Y83.CB) [> 4.1830 = 6.9717 < 9.0632] w=0.1588 to align # Constraint # added constraint: constraint((T0363)L10.CB, (T0363)D33.CB) [> 2.7714 = 4.6191 < 6.0048] w=0.1474 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)E81.CB) [> 3.5875 = 5.9791 < 7.7729] w=0.1419 to align # Constraint # added constraint: constraint((T0363)P22.CB, (T0363)E81.CB) [> 3.7763 = 6.2938 < 8.1819] w=0.1365 to align # Constraint # added constraint: constraint((T0363)F51.CB, (T0363)I63.CB) [> 3.7866 = 6.3111 < 8.2044] w=0.1282 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)Y83.CB) [> 4.3035 = 7.1726 < 9.3244] w=0.1279 to align # Constraint # added constraint: constraint((T0363)E23.CB, (T0363)Y83.CB) [> 3.9533 = 6.5888 < 8.5654] w=0.1217 to align # Constraint # added constraint: constraint((T0363)L27.CB, (T0363)R79.CB) [> 4.3413 = 7.2355 < 9.4061] w=0.1162 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)I47.CB) [> 3.5180 = 5.8633 < 7.6222] w=0.1159 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)I63.CB) [> 4.3287 = 7.2145 < 9.3789] w=0.1158 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)E81.CB) [> 4.3339 = 7.2232 < 9.3901] w=0.1013 to align # Constraint # added constraint: constraint((T0363)N14.CB, (T0363)Y25.CB) [> 3.3290 = 5.5484 < 7.2129] w=0.0986 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)Y25.CB) [> 4.2647 = 7.1078 < 9.2401] w=0.0986 to align # Constraint # added constraint: constraint((T0363)E23.CB, (T0363)R84.CB) [> 4.0433 = 6.7389 < 8.7605] w=0.0978 to align # Constraint # added constraint: constraint((T0363)I63.CB, (T0363)D72.CB) [> 4.0562 = 6.7603 < 8.7884] w=0.0936 to align # Constraint # added constraint: constraint((T0363)F64.CB, (T0363)E81.CB) [> 3.9263 = 6.5438 < 8.5069] w=0.0905 to align # Constraint # added constraint: constraint((T0363)F21.CB, (T0363)I47.CB) [> 4.6569 = 7.7615 < 10.0900] w=0.0900 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)L48.CB) [> 4.2440 = 7.0733 < 9.1952] w=0.0877 to align # Constraint # added constraint: constraint((T0363)L10.CB, (T0363)G35.CA) [> 3.2620 = 5.4366 < 7.0676] w=0.0850 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)S45.CB) [> 4.0375 = 6.7292 < 8.7480] w=0.0823 to align # Constraint # added constraint: constraint((T0363)F21.CB, (T0363)E81.CB) [> 4.3582 = 7.2636 < 9.4427] w=0.0806 to align # Constraint # added constraint: constraint((T0363)G62.CA, (T0363)L74.CB) [> 3.7887 = 6.3145 < 8.2089] w=0.0758 to align # Constraint # added constraint: constraint((T0363)R24.CB, (T0363)F51.CB) [> 3.6467 = 6.0778 < 7.9011] w=0.0757 to align # Constraint # added constraint: constraint((T0363)F21.CB, (T0363)R84.CB) [> 4.3250 = 7.2083 < 9.3708] w=0.0756 to align # Constraint # added constraint: constraint((T0363)F51.CB, (T0363)I61.CB) [> 3.8654 = 6.4422 < 8.3749] w=0.0676 to align # Constraint # added constraint: constraint((T0363)K60.CB, (T0363)L86.CB) [> 4.5881 = 7.6469 < 9.9410] w=0.0644 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)Y83.CB) [> 3.0891 = 5.1485 < 6.6931] w=0.0638 to align # Constraint # added constraint: constraint((T0363)L56.CB, (T0363)R84.CB) [> 4.2885 = 7.1474 < 9.2917] w=0.0588 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)F64.CB) [> 4.5680 = 7.6134 < 9.8974] w=0.0515 to align # Constraint # added constraint: constraint((T0363)T58.CB, (T0363)L87.CB) [> 3.6370 = 6.0617 < 7.8802] w=0.0512 to align # Constraint # added constraint: constraint((T0363)N11.CB, (T0363)L74.CB) [> 3.9245 = 6.5408 < 8.5031] w=0.0510 to align # Constraint # added constraint: constraint((T0363)S57.CB, (T0363)P85.CB) [> 3.7838 = 6.3063 < 8.1981] w=0.0497 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)F64.CB) [> 3.5981 = 5.9968 < 7.7959] w=0.0482 to align # Constraint # added constraint: constraint((T0363)Y26.CB, (T0363)F64.CB) [> 3.5019 = 5.8365 < 7.5874] w=0.0482 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)R84.CB) [> 4.3348 = 7.2246 < 9.3920] w=0.0473 to align # Constraint # added constraint: constraint((T0363)V38.CB, (T0363)G62.CA) [> 4.5641 = 7.6069 < 9.8890] w=0.0470 to align # Constraint # added constraint: constraint((T0363)L10.CB, (T0363)I36.CB) [> 4.6244 = 7.7073 < 10.0196] w=0.0469 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)Q44.CB) [> 4.6453 = 7.7422 < 10.0649] w=0.0469 to align # Constraint # added constraint: constraint((T0363)P22.CB, (T0363)R84.CB) [> 4.3064 = 7.1773 < 9.3305] w=0.0466 to align # Constraint # added constraint: constraint((T0363)V73.CB, (T0363)A88.CB) [> 3.4367 = 5.7278 < 7.4461] w=0.0452 to align # Constraint # added constraint: constraint((T0363)V73.CB, (T0363)L87.CB) [> 3.7078 = 6.1796 < 8.0335] w=0.0452 to align # Constraint # added constraint: constraint((T0363)L70.CB, (T0363)I93.CB) [> 4.4235 = 7.3726 < 9.5843] w=0.0452 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)F64.CB) [> 4.3444 = 7.2407 < 9.4129] w=0.0447 to align # Constraint # added constraint: constraint((T0363)I54.CB, (T0363)I63.CB) [> 4.4182 = 7.3637 < 9.5728] w=0.0446 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)R79.CB) [> 3.7387 = 6.2313 < 8.1006] w=0.0438 to align # Constraint # added constraint: constraint((T0363)L56.CB, (T0363)P85.CB) [> 3.6185 = 6.0308 < 7.8400] w=0.0425 to align # Constraint # added constraint: constraint((T0363)P22.CB, (T0363)I54.CB) [> 4.0150 = 6.6917 < 8.6992] w=0.0424 to align # Constraint # added constraint: constraint((T0363)F21.CB, (T0363)N59.CB) [> 4.7451 = 7.9085 < 10.2810] w=0.0410 to align # Constraint # added constraint: constraint((T0363)Y26.CB, (T0363)Q44.CB) [> 4.2656 = 7.1094 < 9.2422] w=0.0410 to align # Constraint # added constraint: constraint((T0363)G62.CA, (T0363)V73.CB) [> 3.4894 = 5.8157 < 7.5603] w=0.0404 to align # Constraint # added constraint: constraint((T0363)P67.CB, (T0363)G77.CA) [> 4.2132 = 7.0220 < 9.1287] w=0.0354 to align # Constraint # added constraint: constraint((T0363)Q50.CB, (T0363)G62.CA) [> 4.5825 = 7.6376 < 9.9288] w=0.0322 to align # Constraint # added constraint: constraint((T0363)P22.CB, (T0363)L56.CB) [> 4.6381 = 7.7301 < 10.0492] w=0.0313 to align # Constraint # added constraint: constraint((T0363)N11.CB, (T0363)S29.CB) [> 3.8493 = 6.4155 < 8.3401] w=0.0311 to align # Constraint # added constraint: constraint((T0363)Q12.CB, (T0363)L27.CB) [> 4.1993 = 6.9987 < 9.0984] w=0.0311 to align # Constraint # added constraint: constraint((T0363)L56.CB, (T0363)L86.CB) [> 3.1152 = 5.1920 < 6.7497] w=0.0306 to align # Constraint # added constraint: constraint((T0363)V38.CB, (T0363)S65.CB) [> 4.3323 = 7.2206 < 9.3867] w=0.0306 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)I68.CB) [> 4.5712 = 7.6186 < 9.9042] w=0.0300 to align # Constraint # added constraint: constraint((T0363)I15.CB, (T0363)R66.CB) [> 4.5792 = 7.6319 < 9.9215] w=0.0291 to align # Constraint # added constraint: constraint((T0363)I54.CB, (T0363)L86.CB) [> 2.9419 = 4.9031 < 6.3741] w=0.0291 to align # Constraint # added constraint: constraint((T0363)K60.CB, (T0363)A88.CB) [> 4.7813 = 7.9689 < 10.3595] w=0.0291 to align # Constraint # added constraint: constraint((T0363)E16.CB, (T0363)F64.CB) [> 4.7305 = 7.8842 < 10.2495] w=0.0282 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)S49.CB) [> 4.2438 = 7.0730 < 9.1949] w=0.0204 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)R84.CB) [> 4.7846 = 7.9743 < 10.3666] w=0.0198 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)R84.CB) [> 4.1361 = 6.8935 < 8.9616] w=0.0161 to align # Constraint # added constraint: constraint((T0363)Q50.CB, (T0363)F64.CB) [> 4.7527 = 7.9212 < 10.2975] w=0.0160 to align # Constraint # added constraint: constraint((T0363)I17.CB, (T0363)R66.CB) [> 4.6777 = 7.7961 < 10.1350] w=0.0160 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)I68.CB) [> 4.5023 = 7.5039 < 9.7550] w=0.0146 to align # Constraint # added constraint: constraint((T0363)F64.CB, (T0363)A88.CB) [> 4.6123 = 7.6873 < 9.9934] w=0.0146 to align # Constraint # added constraint: constraint((T0363)L74.CB, (T0363)P85.CB) [> 2.9376 = 4.8960 < 6.3648] w=0.0146 to align # Constraint # added constraint: constraint((T0363)L74.CB, (T0363)A88.CB) [> 4.7709 = 7.9514 < 10.3369] w=0.0146 to align # Constraint # added constraint: constraint((T0363)L74.CB, (T0363)I93.CB) [> 4.4001 = 7.3335 < 9.5336] w=0.0146 to align # Constraint # added constraint: constraint((T0363)S65.CB, (T0363)L74.CB) [> 3.2805 = 5.4675 < 7.1078] w=0.0141 to align # Constraint # added constraint: constraint((T0363)F64.CB, (T0363)L74.CB) [> 3.9049 = 6.5081 < 8.4605] w=0.0141 to align # Constraint # added constraint: constraint((T0363)Y19.CB, (T0363)S65.CB) [> 4.4890 = 7.4816 < 9.7261] w=0.0140 to align # Constraint # added constraint: constraint((T0363)A18.CB, (T0363)K69.CB) [> 4.6757 = 7.7928 < 10.1307] w=0.0140 to align # Constraint # added constraint: constraint((T0363)R24.CB, (T0363)S45.CB) [> 4.7519 = 7.9198 < 10.2957] w=0.0137 to align # Constraint # added constraint: constraint((T0363)A20.CB, (T0363)F51.CB) [> 3.3294 = 5.5490 < 7.2137] w=0.0119 to align # Constraint # added constraint: constraint((T0363)T37.CB, (T0363)L86.CB) [> 3.7061 = 6.1768 < 8.0299] w=0.0118 to align # Constraint # added constraint: constraint((T0363)T37.CB, (T0363)P85.CB) [> 4.5335 = 7.5558 < 9.8225] w=0.0118 to align # Constraint # added constraint: constraint((T0363)I36.CB, (T0363)L87.CB) [> 3.7113 = 6.1854 < 8.0410] w=0.0118 to align # Constraint # added constraint: constraint((T0363)G35.CA, (T0363)D89.CB) [> 3.3509 = 5.5848 < 7.2602] w=0.0118 to align # Constraint # added constraint: constraint((T0363)V32.CB, (T0363)A88.CB) [> 2.1172 = 3.5287 < 4.5873] w=0.0118 to align # Constraint # added constraint: constraint((T0363)S65.CB, (T0363)L86.CB) [> 4.6679 = 7.7799 < 10.1138] w=0.0118 to align # Constraint # added constraint: constraint((T0363)V38.CB, (T0363)L86.CB) [> 3.8802 = 6.4669 < 8.4070] w=0.0118 to align # Constraint # added constraint: constraint((T0363)T37.CB, (T0363)L87.CB) [> 3.0315 = 5.0525 < 6.5682] w=0.0118 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0363/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0363/decoys/ # ReadConformPDB reading from PDB file robetta-model1.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 45 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model10.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model2.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model3.pdb.gz looking for model 1 # Found a chain break before 25 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model4.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model5.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model6.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model7.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file robetta-model8.pdb.gz looking for model 1 # ReadConformPDB reading from PDB file robetta-model9.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # 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 T0363 can't currently be optimized by undertaker # 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 T0363 can't currently be optimized by undertaker # 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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # Found a chain break before 79 # 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 T0363 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 T0363 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 T0363 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 # Found a chain break before 92 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # Found a chain break before 92 # copying to AlignedFragments data structure # 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 T0363 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 T0363 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 T0363 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 T0363 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 72 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 38 # 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 83 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 83 # 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 84 # 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 87 # 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 68 # 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 83 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 84 # 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 85 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 89 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 89 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 93 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 96 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 # Found a chain break before 85 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 47 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 T0363 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 Skipped atom 27, because occupancy 1 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 57, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz Skipped atom 187, because occupancy 1.000 <= existing 1.000 in servers/FORTE1_AL5.pdb.gz # WARNING: incomplete conformation T0363 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 T0363 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 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 T0363 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 84 # 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 62 # 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 94 # 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 83 # 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 # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 T0363 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 19 # 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 88 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation GeneSilicoMetaServer_TS5 # ReadConformPDB reading from PDB file servers/HHpred1_TS1.pdb.gz looking for model 1 # Found a chain break before 46 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 # Found a chain break before 37 # 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 T0363 can't currently be optimized by undertaker # naming current conformation LOOPP_TS4 # ReadConformPDB reading from PDB file servers/LOOPP_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 Error: Reading chain '' from PDB file servers/MIG_FROST_AL1.pdb.gz failed---no such chain. # 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 67 # 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 # 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 63 # 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 46 # 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 # 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 29 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 77 # 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 46 # 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 # 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 87 # 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 89 # 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 88 # 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 95 # 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 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 38 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 72 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # 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 # Found a chain break before 89 # copying to AlignedFragments data structure # 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 66 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 # Found a chain break before 45 # 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 T0363 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 T0363 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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 45 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 58 # 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 T0363 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # 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 63 # 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 # 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 67 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS5.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS5 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS1.pdb.gz looking for model 1 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 89 # 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 94 # 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 92 # 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 89 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 41 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 20 # 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 19 # 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 85 # 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 45 # 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 59 # 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 25 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 54 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 T0363 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 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 88 # 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 T0363 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 T0363 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 T0363 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 T0363 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 67 # 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 46 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 67 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 65 # 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 20 # 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 60 # 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 84 # 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 82 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 73 # 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL2.pdb.gz # WARNING: incomplete conformation T0363 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 # WARNING: incomplete conformation T0363 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 T0363 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 # WARNING: incomplete conformation T0363 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 89 # 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 86 # 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 82 # 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 95 # 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 93 # 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 96 # 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 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 T0363 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # 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 89 # 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 # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 94 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0363)N11.O and (T0363)Q12.N only 0.000 apart, marking (T0363)Q12.N as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0363)E34.O and (T0363)G35.N only 0.000 apart, marking (T0363)G35.N as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # 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: (T0363)N11.O and (T0363)Q12.N only 0.000 apart, marking (T0363)Q12.N as missing WARNING: atoms too close: (T0363)N14.O and (T0363)I15.N only 0.000 apart, marking (T0363)I15.N as missing WARNING: atoms too close: (T0363)R79.O and (T0363)I80.N only 0.000 apart, marking (T0363)I80.N as missing # WARNING: incomplete conformation T0363 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 94 # 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 T0363 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # Found a chain break before 64 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 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 T0363 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 T0363 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 T0363 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 T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0363)Y19.N and (T0363)A20.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)A20.CA only 0.000 apart, marking (T0363)A20.CA as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)A20.CB only 0.000 apart, marking (T0363)A20.CB as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)A20.O only 0.000 apart, marking (T0363)A20.O as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)A20.C only 0.000 apart, marking (T0363)A20.C as missing WARNING: atoms too close: (T0363)A20.N and (T0363)F21.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)F21.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)F21.CA only 0.000 apart, marking (T0363)F21.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)F21.CA only 0.000 apart, marking (T0363)F21.CA as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)F21.CB only 0.000 apart, marking (T0363)F21.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)F21.CB only 0.000 apart, marking (T0363)F21.CB as missing WARNING: atoms too close: (T0363)A20.O and (T0363)F21.O only 0.000 apart, marking (T0363)F21.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)F21.O only 0.000 apart, marking (T0363)F21.O as missing WARNING: atoms too close: (T0363)A20.C and (T0363)F21.C only 0.000 apart, marking (T0363)F21.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)F21.C only 0.000 apart, marking (T0363)F21.C as missing WARNING: atoms too close: (T0363)F21.N and (T0363)P22.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)P22.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)P22.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)P22.CA only 0.000 apart, marking (T0363)P22.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)P22.CA only 0.000 apart, marking (T0363)P22.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)P22.CA only 0.000 apart, marking (T0363)P22.CA as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)P22.CB only 0.000 apart, marking (T0363)P22.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)P22.CB only 0.000 apart, marking (T0363)P22.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)P22.CB only 0.000 apart, marking (T0363)P22.CB as missing WARNING: atoms too close: (T0363)F21.O and (T0363)P22.O only 0.000 apart, marking (T0363)P22.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)P22.O only 0.000 apart, marking (T0363)P22.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)P22.O only 0.000 apart, marking (T0363)P22.O as missing WARNING: atoms too close: (T0363)F21.C and (T0363)P22.C only 0.000 apart, marking (T0363)P22.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)P22.C only 0.000 apart, marking (T0363)P22.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)P22.C only 0.000 apart, marking (T0363)P22.C as missing WARNING: atoms too close: (T0363)P22.N and (T0363)F51.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)F51.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)F51.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)F51.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)F51.CA only 0.000 apart, marking (T0363)F51.CA as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)F51.CB only 0.000 apart, marking (T0363)F51.CB as missing WARNING: atoms too close: (T0363)P22.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)F51.O only 0.000 apart, marking (T0363)F51.O as missing WARNING: atoms too close: (T0363)P22.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)F51.C only 0.000 apart, marking (T0363)F51.C as missing WARNING: atoms too close: (T0363)F51.N and (T0363)P52.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)P52.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)P52.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)P52.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)P52.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)P52.CA only 0.000 apart, marking (T0363)P52.CA as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)P52.CB only 0.000 apart, marking (T0363)P52.CB as missing WARNING: atoms too close: (T0363)F51.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)P52.O only 0.000 apart, marking (T0363)P52.O as missing WARNING: atoms too close: (T0363)F51.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)P52.C only 0.000 apart, marking (T0363)P52.C as missing WARNING: atoms too close: (T0363)P52.N and (T0363)E53.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)E53.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)E53.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)E53.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)E53.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)E53.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)E53.CA only 0.000 apart, marking (T0363)E53.CA as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)E53.CB only 0.000 apart, marking (T0363)E53.CB as missing WARNING: atoms too close: (T0363)P52.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)E53.O only 0.000 apart, marking (T0363)E53.O as missing WARNING: atoms too close: (T0363)P52.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)E53.C only 0.000 apart, marking (T0363)E53.C as missing WARNING: atoms too close: (T0363)E53.N and (T0363)I54.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)I54.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)I54.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)I54.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)I54.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)I54.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)I54.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)I54.CA only 0.000 apart, marking (T0363)I54.CA as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)I54.CB only 0.000 apart, marking (T0363)I54.CB as missing WARNING: atoms too close: (T0363)E53.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)I54.O only 0.000 apart, marking (T0363)I54.O as missing WARNING: atoms too close: (T0363)E53.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)I54.C only 0.000 apart, marking (T0363)I54.C as missing WARNING: atoms too close: (T0363)I54.N and (T0363)D55.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.N and (T0363)D55.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)D55.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)D55.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)D55.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)D55.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)D55.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)D55.N only 0.000 apart, marking (T0363)D55.N as missing WARNING: atoms too close: (T0363)I54.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)D55.CA only 0.000 apart, marking (T0363)D55.CA as missing WARNING: atoms too close: (T0363)I54.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)D55.CB only 0.000 apart, marking (T0363)D55.CB as missing WARNING: atoms too close: (T0363)I54.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)E53.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)D55.O only 0.000 apart, marking (T0363)D55.O as missing WARNING: atoms too close: (T0363)I54.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)E53.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)D55.C only 0.000 apart, marking (T0363)D55.C as missing WARNING: atoms too close: (T0363)D55.N and (T0363)I63.N only 0.000 apart, marking (T0363)D55.N as missing WARNING: atoms too close: (T0363)I54.N and (T0363)I63.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.N and (T0363)I63.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)I63.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)I63.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)I63.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)I63.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)I63.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)I63.N only 0.000 apart, marking (T0363)I63.N as missing WARNING: atoms too close: (T0363)D55.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)I54.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)I63.CA only 0.000 apart, marking (T0363)I63.CA as missing WARNING: atoms too close: (T0363)D55.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)I54.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)I63.CB only 0.000 apart, marking (T0363)I63.CB as missing WARNING: atoms too close: (T0363)D55.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)I54.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)E53.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)I63.O only 0.000 apart, marking (T0363)I63.O as missing WARNING: atoms too close: (T0363)D55.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)I54.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)E53.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)I63.C only 0.000 apart, marking (T0363)I63.C as missing WARNING: atoms too close: (T0363)I63.N and (T0363)F64.N only 0.000 apart, marking (T0363)I63.N as missing WARNING: atoms too close: (T0363)D55.N and (T0363)F64.N only 0.000 apart, marking (T0363)D55.N as missing WARNING: atoms too close: (T0363)I54.N and (T0363)F64.N only 0.000 apart, marking (T0363)I54.N as missing WARNING: atoms too close: (T0363)E53.N and (T0363)F64.N only 0.000 apart, marking (T0363)E53.N as missing WARNING: atoms too close: (T0363)P52.N and (T0363)F64.N only 0.000 apart, marking (T0363)P52.N as missing WARNING: atoms too close: (T0363)F51.N and (T0363)F64.N only 0.000 apart, marking (T0363)F51.N as missing WARNING: atoms too close: (T0363)P22.N and (T0363)F64.N only 0.000 apart, marking (T0363)P22.N as missing WARNING: atoms too close: (T0363)F21.N and (T0363)F64.N only 0.000 apart, marking (T0363)F21.N as missing WARNING: atoms too close: (T0363)A20.N and (T0363)F64.N only 0.000 apart, marking (T0363)A20.N as missing WARNING: atoms too close: (T0363)Y19.N and (T0363)F64.N only 0.000 apart, marking (T0363)F64.N as missing WARNING: atoms too close: (T0363)I63.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)D55.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)I54.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)E53.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)P52.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)F51.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)P22.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)F21.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)A20.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)Y19.CA and (T0363)F64.CA only 0.000 apart, marking (T0363)F64.CA as missing WARNING: atoms too close: (T0363)I63.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)D55.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)I54.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)E53.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)P52.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)F51.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)P22.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)F21.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)A20.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)Y19.CB and (T0363)F64.CB only 0.000 apart, marking (T0363)F64.CB as missing WARNING: atoms too close: (T0363)I63.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)D55.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)I54.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)E53.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)P52.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)F51.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)P22.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)F21.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)A20.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)Y19.O and (T0363)F64.O only 0.000 apart, marking (T0363)F64.O as missing WARNING: atoms too close: (T0363)I63.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)D55.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)I54.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)E53.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)P52.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)F51.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)P22.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)F21.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)A20.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing WARNING: atoms too close: (T0363)Y19.C and (T0363)F64.C only 0.000 apart, marking (T0363)F64.C as missing # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0363 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 259 model score -0.2393 model score 0.7487 model score 0.6569 model score -0.2627 model score 0.9107 model score 0.0728 model score 0.7480 model score -0.2414 model score 0.8287 model score -0.2460 model score 1.1055 model score 1.2699 model score 1.1810 model score 1.0910 model score 1.4214 model score 0.9472 model score 0.6411 model score 1.0024 model score 0.9683 model score 0.9547 model score 1.3779 model score 1.7433 model score 1.3180 model score 0.6411 model score 0.9090 model score -0.1516 model score 1.6004 model score 0.4864 model score 0.6372 model score 1.1782 model score 0.6372 model score 0.8113 model score 0.9199 model score 0.4561 model score 1.2090 model score -0.1951 model score -0.0005 model score 0.0366 model score 0.0395 model score 0.2720 model score -0.0191 model score 1.1303 model score -0.0767 model score 0.3317 model score 1.3516 model score 0.2654 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.0127 model score 0.0376 model score -0.0528 model score -0.0356 model score -0.1531 model score 0.0469 model score -0.0005 model score 0.2619 model score -0.0528 model score 0.0366 model score -0.2262 model score 1.5741 model score -0.1516 model score 1.0112 model score 0.1471 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.9137 model score 1.8921 model score 1.9683 model score 1.9110 model score 1.9975 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.0136 model score 0.0350 model score 0.2619 model score 0.5148 model score -0.1139 model score 1.6266 model score 1.6051 model score 1.4748 model score 0.2015 model score -0.0888 model score 0.7760 model score 0.3230 model score 0.1553 model score -0.2764 model score -0.1977 model score -0.2722 model score 1.5769 model score 1.5517 model score 1.1456 model score 1.2776 model score 1.4041 model score 0.2888 model score -0.2449 model score 1.8901 model score 0.4664 model score 1.1503 model score -0.0638 model score -0.1650 model score 1.6619 model score -0.0034 model score 0.3274 model score -0.1339 model score -0.1542 model score 0.4664 model score -0.0034 model score 0.3274 model score -0.3877 model score -0.4024 model score -0.3339 model score -0.3953 model score -0.3851 model score 2.1382 model score 2.2362 model score 2.1604 model score 1.7351 model score 1.7823 model score 1.0553 model score 1.0525 model score 1.0531 model score 0.9290 model score 0.9282 model score 1.0500 model score 0.9241 model score 0.9270 model score 0.9563 model score 0.9266 model score -0.2447 model score -0.0351 model score -0.0308 model score -0.2393 model score -0.2850 model score -0.1121 model score 0.1330 model score -0.1003 model score -0.0467 model score -0.0630 model score -0.0578 model score -0.2393 model score -0.2850 model score -0.2414 model score 0.0140 model score -0.2460 model score -0.3403 model score 0.3494 model score -0.2607 model score 0.0181 model score 0.2099 model score -0.0545 model score -0.1139 model score -0.1649 model score -0.0794 model score -0.1581 model score -0.1554 model score -0.1065 model score -0.1757 model score -0.1630 model score -0.1133 model score -0.2393 model score 0.6569 model score -0.2627 model score 0.9107 model score 0.0728 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.3824 model score -0.2180 model score 0.9011 model score 0.8917 model score 0.2475 model score 0.0181 model score -0.0928 model score 0.1194 model score 0.0423 model score -0.2607 model score -0.0753 model score -0.1795 model score 0.1788 model score 0.7847 model score -0.0030 model score -0.1963 model score 0.1579 model score 0.3544 model score 0.0617 model score 0.0021 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.1728 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score -0.3751 model score -0.3857 model score -0.3516 model score -0.3577 model score -0.3929 model score -0.3833 model score 0.0937 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.3171 model score 0.2563 model score 0.2174 model score 0.3288 model score 0.4517 model score 1.6363 model score 1.8163 model score 1.4856 model score 1.0396 model score 1.0794 model score 0.0858 model score 0.1918 model score 0.3951 model score 0.4807 model score 0.3322 model score 0.1862 model score 0.2604 model score 0.1799 model score 0.1366 model score 0.3902 model score 0.1128 model score 1.5271 model score 1.4584 model score 0.3307 model score 1.3695 model score 0.2041 model score 0.7420 model score -0.3317 weight: 0.9444 eval: -0.2393 min: -0.4024 max: 2.2362 weight: 0.6074 eval: 0.7487 min: -0.4024 max: 2.2362 weight: 0.6387 eval: 0.6569 min: -0.4024 max: 2.2362 weight: 0.9523 eval: -0.2627 min: -0.4024 max: 2.2362 weight: 0.5521 eval: 0.9107 min: -0.4024 max: 2.2362 weight: 0.8379 eval: 0.0728 min: -0.4024 max: 2.2362 weight: 0.6076 eval: 0.7480 min: -0.4024 max: 2.2362 weight: 0.9451 eval: -0.2414 min: -0.4024 max: 2.2362 weight: 0.5801 eval: 0.8287 min: -0.4024 max: 2.2362 weight: 0.9466 eval: -0.2460 min: -0.4024 max: 2.2362 weight: 0.4857 eval: 1.1055 min: -0.4024 max: 2.2362 weight: 0.4296 eval: 1.2699 min: -0.4024 max: 2.2362 weight: 0.4599 eval: 1.1810 min: -0.4024 max: 2.2362 weight: 0.4906 eval: 1.0910 min: -0.4024 max: 2.2362 weight: 0.3779 eval: 1.4214 min: -0.4024 max: 2.2362 weight: 0.5397 eval: 0.9472 min: -0.4024 max: 2.2362 weight: 0.6441 eval: 0.6411 min: -0.4024 max: 2.2362 weight: 0.5208 eval: 1.0024 min: -0.4024 max: 2.2362 weight: 0.5325 eval: 0.9683 min: -0.4024 max: 2.2362 weight: 0.5371 eval: 0.9547 min: -0.4024 max: 2.2362 weight: 0.3928 eval: 1.3779 min: -0.4024 max: 2.2362 weight: 0.2681 eval: 1.7433 min: -0.4024 max: 2.2362 weight: 0.4132 eval: 1.3180 min: -0.4024 max: 2.2362 weight: 0.6441 eval: 0.6411 min: -0.4024 max: 2.2362 weight: 0.5527 eval: 0.9090 min: -0.4024 max: 2.2362 weight: 0.9144 eval: -0.1516 min: -0.4024 max: 2.2362 weight: 0.3169 eval: 1.6004 min: -0.4024 max: 2.2362 weight: 0.6968 eval: 0.4864 min: -0.4024 max: 2.2362 weight: 0.6454 eval: 0.6372 min: -0.4024 max: 2.2362 weight: 0.4609 eval: 1.1782 min: -0.4024 max: 2.2362 weight: 0.6454 eval: 0.6372 min: -0.4024 max: 2.2362 weight: 0.5860 eval: 0.8113 min: -0.4024 max: 2.2362 weight: 0.5490 eval: 0.9199 min: -0.4024 max: 2.2362 weight: 0.7072 eval: 0.4561 min: -0.4024 max: 2.2362 weight: 0.4504 eval: 1.2090 min: -0.4024 max: 2.2362 weight: 0.9293 eval: -0.1951 min: -0.4024 max: 2.2362 weight: 0.8629 eval: -0.0005 min: -0.4024 max: 2.2362 weight: 0.8502 eval: 0.0366 min: -0.4024 max: 2.2362 weight: 0.8493 eval: 0.0395 min: -0.4024 max: 2.2362 weight: 0.7699 eval: 0.2720 min: -0.4024 max: 2.2362 weight: 0.8692 eval: -0.0191 min: -0.4024 max: 2.2362 weight: 0.4772 eval: 1.1303 min: -0.4024 max: 2.2362 weight: 0.8889 eval: -0.0767 min: -0.4024 max: 2.2362 weight: 0.7496 eval: 0.3317 min: -0.4024 max: 2.2362 weight: 0.4017 eval: 1.3516 min: -0.4024 max: 2.2362 weight: 0.7722 eval: 0.2654 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.8671 eval: -0.0127 min: -0.4024 max: 2.2362 weight: 0.8499 eval: 0.0376 min: -0.4024 max: 2.2362 weight: 0.8808 eval: -0.0528 min: -0.4024 max: 2.2362 weight: 0.8749 eval: -0.0356 min: -0.4024 max: 2.2362 weight: 0.9149 eval: -0.1531 min: -0.4024 max: 2.2362 weight: 0.8468 eval: 0.0469 min: -0.4024 max: 2.2362 weight: 0.8629 eval: -0.0005 min: -0.4024 max: 2.2362 weight: 0.7734 eval: 0.2619 min: -0.4024 max: 2.2362 weight: 0.8808 eval: -0.0528 min: -0.4024 max: 2.2362 weight: 0.8502 eval: 0.0366 min: -0.4024 max: 2.2362 weight: 0.9399 eval: -0.2262 min: -0.4024 max: 2.2362 weight: 0.3258 eval: 1.5741 min: -0.4024 max: 2.2362 weight: 0.9144 eval: -0.1516 min: -0.4024 max: 2.2362 weight: 0.5178 eval: 1.0112 min: -0.4024 max: 2.2362 weight: 0.8126 eval: 0.1471 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.2100 eval: 1.9137 min: -0.4024 max: 2.2362 weight: 0.2174 eval: 1.8921 min: -0.4024 max: 2.2362 weight: 0.1914 eval: 1.9683 min: -0.4024 max: 2.2362 weight: 0.2109 eval: 1.9110 min: -0.4024 max: 2.2362 weight: 0.1814 eval: 1.9975 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.8581 eval: 0.0136 min: -0.4024 max: 2.2362 weight: 0.8508 eval: 0.0350 min: -0.4024 max: 2.2362 weight: 0.7734 eval: 0.2619 min: -0.4024 max: 2.2362 weight: 0.6872 eval: 0.5148 min: -0.4024 max: 2.2362 weight: 0.9016 eval: -0.1139 min: -0.4024 max: 2.2362 weight: 0.3079 eval: 1.6266 min: -0.4024 max: 2.2362 weight: 0.3153 eval: 1.6051 min: -0.4024 max: 2.2362 weight: 0.3597 eval: 1.4748 min: -0.4024 max: 2.2362 weight: 0.7940 eval: 0.2015 min: -0.4024 max: 2.2362 weight: 0.8930 eval: -0.0888 min: -0.4024 max: 2.2362 weight: 0.5980 eval: 0.7760 min: -0.4024 max: 2.2362 weight: 0.7526 eval: 0.3230 min: -0.4024 max: 2.2362 weight: 0.8098 eval: 0.1553 min: -0.4024 max: 2.2362 weight: 0.9570 eval: -0.2764 min: -0.4024 max: 2.2362 weight: 0.9302 eval: -0.1977 min: -0.4024 max: 2.2362 weight: 0.9556 eval: -0.2722 min: -0.4024 max: 2.2362 weight: 0.3249 eval: 1.5769 min: -0.4024 max: 2.2362 weight: 0.3335 eval: 1.5517 min: -0.4024 max: 2.2362 weight: 0.4720 eval: 1.1456 min: -0.4024 max: 2.2362 weight: 0.4270 eval: 1.2776 min: -0.4024 max: 2.2362 weight: 0.3838 eval: 1.4041 min: -0.4024 max: 2.2362 weight: 0.7642 eval: 0.2888 min: -0.4024 max: 2.2362 weight: 0.9463 eval: -0.2449 min: -0.4024 max: 2.2362 weight: 0.2180 eval: 1.8901 min: -0.4024 max: 2.2362 weight: 0.7036 eval: 0.4664 min: -0.4024 max: 2.2362 weight: 0.4704 eval: 1.1503 min: -0.4024 max: 2.2362 weight: 0.8845 eval: -0.0638 min: -0.4024 max: 2.2362 weight: 0.9190 eval: -0.1650 min: -0.4024 max: 2.2362 weight: 0.2959 eval: 1.6619 min: -0.4024 max: 2.2362 weight: 0.8639 eval: -0.0034 min: -0.4024 max: 2.2362 weight: 0.7511 eval: 0.3274 min: -0.4024 max: 2.2362 weight: 0.9084 eval: -0.1339 min: -0.4024 max: 2.2362 weight: 0.9153 eval: -0.1542 min: -0.4024 max: 2.2362 weight: 0.7037 eval: 0.4664 min: -0.4024 max: 2.2362 weight: 0.8639 eval: -0.0034 min: -0.4024 max: 2.2362 weight: 0.7511 eval: 0.3274 min: -0.4024 max: 2.2362 weight: 0.9950 eval: -0.3877 min: -0.4024 max: 2.2362 weight: 1.0000 eval: -0.4024 min: -0.4024 max: 2.2362 weight: 0.9766 eval: -0.3339 min: -0.4024 max: 2.2362 weight: 0.9976 eval: -0.3953 min: -0.4024 max: 2.2362 weight: 0.9941 eval: -0.3851 min: -0.4024 max: 2.2362 weight: 0.1334 eval: 2.1382 min: -0.4024 max: 2.2362 weight: 0.1000 eval: 2.2362 min: -0.4024 max: 2.2362 weight: 0.1259 eval: 2.1604 min: -0.4024 max: 2.2362 weight: 0.2709 eval: 1.7351 min: -0.4024 max: 2.2362 weight: 0.2548 eval: 1.7823 min: -0.4024 max: 2.2362 weight: 0.5028 eval: 1.0553 min: -0.4024 max: 2.2362 weight: 0.5037 eval: 1.0525 min: -0.4024 max: 2.2362 weight: 0.5035 eval: 1.0531 min: -0.4024 max: 2.2362 weight: 0.5459 eval: 0.9290 min: -0.4024 max: 2.2362 weight: 0.5461 eval: 0.9282 min: -0.4024 max: 2.2362 weight: 0.5046 eval: 1.0500 min: -0.4024 max: 2.2362 weight: 0.5475 eval: 0.9241 min: -0.4024 max: 2.2362 weight: 0.5466 eval: 0.9270 min: -0.4024 max: 2.2362 weight: 0.5365 eval: 0.9563 min: -0.4024 max: 2.2362 weight: 0.5467 eval: 0.9266 min: -0.4024 max: 2.2362 weight: 0.9462 eval: -0.2447 min: -0.4024 max: 2.2362 weight: 0.8747 eval: -0.0351 min: -0.4024 max: 2.2362 weight: 0.8733 eval: -0.0308 min: -0.4024 max: 2.2362 weight: 0.9444 eval: -0.2393 min: -0.4024 max: 2.2362 weight: 0.9599 eval: -0.2850 min: -0.4024 max: 2.2362 weight: 0.9010 eval: -0.1121 min: -0.4024 max: 2.2362 weight: 0.8174 eval: 0.1330 min: -0.4024 max: 2.2362 weight: 0.8970 eval: -0.1003 min: -0.4024 max: 2.2362 weight: 0.8787 eval: -0.0467 min: -0.4024 max: 2.2362 weight: 0.8842 eval: -0.0630 min: -0.4024 max: 2.2362 weight: 0.8824 eval: -0.0578 min: -0.4024 max: 2.2362 weight: 0.9444 eval: -0.2393 min: -0.4024 max: 2.2362 weight: 0.9599 eval: -0.2850 min: -0.4024 max: 2.2362 weight: 0.9451 eval: -0.2414 min: -0.4024 max: 2.2362 weight: 0.8580 eval: 0.0140 min: -0.4024 max: 2.2362 weight: 0.9466 eval: -0.2460 min: -0.4024 max: 2.2362 weight: 0.9788 eval: -0.3403 min: -0.4024 max: 2.2362 weight: 0.7436 eval: 0.3494 min: -0.4024 max: 2.2362 weight: 0.9516 eval: -0.2607 min: -0.4024 max: 2.2362 weight: 0.8566 eval: 0.0181 min: -0.4024 max: 2.2362 weight: 0.7911 eval: 0.2099 min: -0.4024 max: 2.2362 weight: 0.8813 eval: -0.0545 min: -0.4024 max: 2.2362 weight: 0.9016 eval: -0.1139 min: -0.4024 max: 2.2362 weight: 0.9190 eval: -0.1649 min: -0.4024 max: 2.2362 weight: 0.8898 eval: -0.0794 min: -0.4024 max: 2.2362 weight: 0.9167 eval: -0.1581 min: -0.4024 max: 2.2362 weight: 0.9157 eval: -0.1554 min: -0.4024 max: 2.2362 weight: 0.8991 eval: -0.1065 min: -0.4024 max: 2.2362 weight: 0.9227 eval: -0.1757 min: -0.4024 max: 2.2362 weight: 0.9183 eval: -0.1630 min: -0.4024 max: 2.2362 weight: 0.9014 eval: -0.1133 min: -0.4024 max: 2.2362 weight: 0.9444 eval: -0.2393 min: -0.4024 max: 2.2362 weight: 0.6387 eval: 0.6569 min: -0.4024 max: 2.2362 weight: 0.9523 eval: -0.2627 min: -0.4024 max: 2.2362 weight: 0.5521 eval: 0.9107 min: -0.4024 max: 2.2362 weight: 0.8379 eval: 0.0728 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.9932 eval: -0.3824 min: -0.4024 max: 2.2362 weight: 0.9371 eval: -0.2180 min: -0.4024 max: 2.2362 weight: 0.5554 eval: 0.9011 min: -0.4024 max: 2.2362 weight: 0.5586 eval: 0.8917 min: -0.4024 max: 2.2362 weight: 0.7783 eval: 0.2475 min: -0.4024 max: 2.2362 weight: 0.8566 eval: 0.0181 min: -0.4024 max: 2.2362 weight: 0.8944 eval: -0.0928 min: -0.4024 max: 2.2362 weight: 0.8220 eval: 0.1194 min: -0.4024 max: 2.2362 weight: 0.8483 eval: 0.0423 min: -0.4024 max: 2.2362 weight: 0.9516 eval: -0.2607 min: -0.4024 max: 2.2362 weight: 0.8884 eval: -0.0753 min: -0.4024 max: 2.2362 weight: 0.9240 eval: -0.1795 min: -0.4024 max: 2.2362 weight: 0.8017 eval: 0.1788 min: -0.4024 max: 2.2362 weight: 0.5951 eval: 0.7847 min: -0.4024 max: 2.2362 weight: 0.8638 eval: -0.0030 min: -0.4024 max: 2.2362 weight: 0.9297 eval: -0.1963 min: -0.4024 max: 2.2362 weight: 0.8089 eval: 0.1579 min: -0.4024 max: 2.2362 weight: 0.7418 eval: 0.3544 min: -0.4024 max: 2.2362 weight: 0.8417 eval: 0.0617 min: -0.4024 max: 2.2362 weight: 0.8620 eval: 0.0021 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.9217 eval: -0.1728 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.9907 eval: -0.3751 min: -0.4024 max: 2.2362 weight: 0.9943 eval: -0.3857 min: -0.4024 max: 2.2362 weight: 0.9827 eval: -0.3516 min: -0.4024 max: 2.2362 weight: 0.9847 eval: -0.3577 min: -0.4024 max: 2.2362 weight: 0.9968 eval: -0.3929 min: -0.4024 max: 2.2362 weight: 0.9935 eval: -0.3833 min: -0.4024 max: 2.2362 weight: 0.8308 eval: 0.0937 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.4271 eval: 1.2771 min: -0.4024 max: 2.2362 weight: 0.7546 eval: 0.3171 min: -0.4024 max: 2.2362 weight: 0.7753 eval: 0.2563 min: -0.4024 max: 2.2362 weight: 0.7886 eval: 0.2174 min: -0.4024 max: 2.2362 weight: 0.7506 eval: 0.3288 min: -0.4024 max: 2.2362 weight: 0.7087 eval: 0.4517 min: -0.4024 max: 2.2362 weight: 0.3046 eval: 1.6363 min: -0.4024 max: 2.2362 weight: 0.2432 eval: 1.8163 min: -0.4024 max: 2.2362 weight: 0.3560 eval: 1.4856 min: -0.4024 max: 2.2362 weight: 0.5082 eval: 1.0396 min: -0.4024 max: 2.2362 weight: 0.4946 eval: 1.0794 min: -0.4024 max: 2.2362 weight: 0.8335 eval: 0.0858 min: -0.4024 max: 2.2362 weight: 0.7973 eval: 0.1918 min: -0.4024 max: 2.2362 weight: 0.7280 eval: 0.3951 min: -0.4024 max: 2.2362 weight: 0.6988 eval: 0.4807 min: -0.4024 max: 2.2362 weight: 0.7494 eval: 0.3322 min: -0.4024 max: 2.2362 weight: 0.7992 eval: 0.1862 min: -0.4024 max: 2.2362 weight: 0.7739 eval: 0.2604 min: -0.4024 max: 2.2362 weight: 0.8014 eval: 0.1799 min: -0.4024 max: 2.2362 weight: 0.8161 eval: 0.1366 min: -0.4024 max: 2.2362 weight: 0.7297 eval: 0.3902 min: -0.4024 max: 2.2362 weight: 0.8243 eval: 0.1128 min: -0.4024 max: 2.2362 weight: 0.3419 eval: 1.5271 min: -0.4024 max: 2.2362 weight: 0.3653 eval: 1.4584 min: -0.4024 max: 2.2362 weight: 0.7499 eval: 0.3307 min: -0.4024 max: 2.2362 weight: 0.3956 eval: 1.3695 min: -0.4024 max: 2.2362 weight: 0.7931 eval: 0.2041 min: -0.4024 max: 2.2362 weight: 0.6096 eval: 0.7420 min: -0.4024 max: 2.2362 weight: 0.9759 eval: -0.3317 min: -0.4024 max: 2.2362 Adding 2962 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: -179.3842, CN propb: -179.3842 weights: 0.3178 constraints: 284 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 284 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 284 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 2678 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 2678 # 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 2962 # command: