# 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/T0386/ # command:# Making conformation for sequence T0386 numbered 1 through 299 Created new target T0386 from T0386.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0386/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0386//projects/compbio/experiments/protein-predict/casp7/T0386/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0386//projects/compbio/experiments/protein-predict/casp7/T0386/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0386/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0386/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((T0386)V201.CB, (T0386)M210.CB) [> 3.3772 = 5.6286 < 7.3172] w=1.0000 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)L184.CB) [> 3.3670 = 5.6116 < 7.2951] w=0.8771 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)E147.CB) [> 3.5749 = 5.9582 < 7.7456] w=0.7538 to align # Constraint # added constraint: constraint((T0386)R55.CB, (T0386)I71.CB) [> 3.1588 = 5.2647 < 6.8442] w=0.6962 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)F214.CB) [> 4.0558 = 6.7597 < 8.7876] w=0.6957 to align # Constraint # added constraint: constraint((T0386)R55.CB, (T0386)L68.CB) [> 4.0908 = 6.8180 < 8.8634] w=0.6588 to align # Constraint # added constraint: constraint((T0386)L54.CB, (T0386)I71.CB) [> 4.1070 = 6.8449 < 8.8984] w=0.6184 to align # Constraint # added constraint: constraint((T0386)L130.CB, (T0386)L139.CB) [> 3.4108 = 5.6846 < 7.3900] w=0.6117 to align # Constraint # added constraint: constraint((T0386)E56.CB, (T0386)Y67.CB) [> 3.6943 = 6.1572 < 8.0044] w=0.6103 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)L123.CB) [> 2.9770 = 4.9616 < 6.4501] w=0.5893 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)L213.CB) [> 3.3677 = 5.6129 < 7.2967] w=0.5830 to align # Constraint # added constraint: constraint((T0386)I52.CB, (T0386)F63.CB) [> 4.1411 = 6.9018 < 8.9723] w=0.5677 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)M210.CB) [> 3.3538 = 5.5896 < 7.2665] w=0.5529 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)F172.CB) [> 4.3281 = 7.2135 < 9.3775] w=0.5513 to align # Constraint # added constraint: constraint((T0386)F173.CB, (T0386)S198.CB) [> 3.7020 = 6.1700 < 8.0210] w=0.5486 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)Q169.CB) [> 3.5867 = 5.9778 < 7.7712] w=0.5093 to align # Constraint # added constraint: constraint((T0386)L155.CB, (T0386)F173.CB) [> 4.4309 = 7.3848 < 9.6003] w=0.5050 to align # Constraint # added constraint: constraint((T0386)L155.CB, (T0386)F172.CB) [> 4.0515 = 6.7525 < 8.7782] w=0.5050 to align # Constraint # added constraint: constraint((T0386)A177.CB, (T0386)M194.CB) [> 3.9716 = 6.6194 < 8.6053] w=0.5022 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)F173.CB) [> 2.8891 = 4.8151 < 6.2596] w=0.4702 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)L176.CB) [> 4.1068 = 6.8447 < 8.8981] w=0.4640 to align # Constraint # added constraint: constraint((T0386)G96.CA, (T0386)F113.CB) [> 4.2636 = 7.1061 < 9.2379] w=0.4635 to align # Constraint # added constraint: constraint((T0386)I119.CB, (T0386)L158.CB) [> 3.8542 = 6.4237 < 8.3508] w=0.4633 to align # Constraint # added constraint: constraint((T0386)E147.CB, (T0386)L176.CB) [> 4.1837 = 6.9728 < 9.0647] w=0.4596 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)L151.CB) [> 3.6305 = 6.0509 < 7.8661] w=0.4553 to align # Constraint # added constraint: constraint((T0386)A148.CB, (T0386)L176.CB) [> 3.7454 = 6.2423 < 8.1150] w=0.4545 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)E143.CB) [> 3.5069 = 5.8449 < 7.5984] w=0.4470 to align # Constraint # added constraint: constraint((T0386)M195.CB, (T0386)L213.CB) [> 3.6784 = 6.1306 < 7.9698] w=0.4469 to align # Constraint # added constraint: constraint((T0386)L130.CB, (T0386)F144.CB) [> 3.6148 = 6.0246 < 7.8320] w=0.4436 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)Q211.CB) [> 4.0537 = 6.7562 < 8.7831] w=0.4411 to align # Constraint # added constraint: constraint((T0386)N145.CB, (T0386)Q211.CB) [> 3.8355 = 6.3926 < 8.3103] w=0.4267 to align # Constraint # added constraint: constraint((T0386)N153.CB, (T0386)M210.CB) [> 3.7414 = 6.2357 < 8.1064] w=0.4258 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)L155.CB) [> 3.5615 = 5.9358 < 7.7166] w=0.4258 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)S154.CB) [> 3.0901 = 5.1502 < 6.6953] w=0.4258 to align # Constraint # added constraint: constraint((T0386)M51.CB, (T0386)Q74.CB) [> 3.9362 = 6.5604 < 8.5285] w=0.4247 to align # Constraint # added constraint: constraint((T0386)M51.CB, (T0386)L75.CB) [> 4.1965 = 6.9942 < 9.0925] w=0.4247 to align # Constraint # added constraint: constraint((T0386)G166.CA, (T0386)L207.CB) [> 4.1976 = 6.9960 < 9.0948] w=0.4230 to align # Constraint # added constraint: constraint((T0386)F144.CB, (T0386)A177.CB) [> 3.9298 = 6.5497 < 8.5146] w=0.4197 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)F186.CB) [> 4.3745 = 7.2908 < 9.4781] w=0.4189 to align # Constraint # added constraint: constraint((T0386)F173.CB, (T0386)L184.CB) [> 4.4139 = 7.3564 < 9.5634] w=0.4153 to align # Constraint # added constraint: constraint((T0386)L184.CB, (T0386)M194.CB) [> 3.3826 = 5.6377 < 7.3291] w=0.4120 to align # Constraint # added constraint: constraint((T0386)I149.CB, (T0386)M210.CB) [> 3.5307 = 5.8845 < 7.6498] w=0.4120 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)F214.CB) [> 4.0349 = 6.7248 < 8.7422] w=0.4106 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)H159.CB) [> 2.5034 = 4.1723 < 5.4240] w=0.3861 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)Q157.CB) [> 3.7190 = 6.1983 < 8.0578] w=0.3861 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)L158.CB) [> 2.8383 = 4.7305 < 6.1497] w=0.3861 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)H159.CB) [> 3.8115 = 6.3526 < 8.2584] w=0.3861 to align # Constraint # added constraint: constraint((T0386)I119.CB, (T0386)P160.CB) [> 3.6479 = 6.0799 < 7.9038] w=0.3861 to align # Constraint # added constraint: constraint((T0386)G122.CA, (T0386)L158.CB) [> 3.8204 = 6.3673 < 8.2775] w=0.3861 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)P160.CB) [> 3.8268 = 6.3780 < 8.2915] w=0.3861 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)L158.CB) [> 4.0278 = 6.7129 < 8.7268] w=0.3861 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)S154.CB) [> 3.9858 = 6.6430 < 8.6359] w=0.3861 to align # Constraint # added constraint: constraint((T0386)L155.CB, (T0386)Q169.CB) [> 2.9251 = 4.8752 < 6.3378] w=0.3861 to align # Constraint # added constraint: constraint((T0386)N156.CB, (T0386)N165.CB) [> 4.1591 = 6.9319 < 9.0115] w=0.3861 to align # Constraint # added constraint: constraint((T0386)N156.CB, (T0386)Q169.CB) [> 3.2209 = 5.3682 < 6.9787] w=0.3861 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)D127.CB) [> 3.1925 = 5.3209 < 6.9171] w=0.3830 to align # Constraint # added constraint: constraint((T0386)D64.CB, (T0386)D127.CB) [> 3.8858 = 6.4763 < 8.4192] w=0.3830 to align # Constraint # added constraint: constraint((T0386)F173.CB, (T0386)A197.CB) [> 3.9836 = 6.6393 < 8.6311] w=0.3817 to align # Constraint # added constraint: constraint((T0386)F173.CB, (T0386)M194.CB) [> 3.2246 = 5.3743 < 6.9866] w=0.3817 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)E174.CB) [> 3.8868 = 6.4781 < 8.4215] w=0.3774 to align # Constraint # added constraint: constraint((T0386)I119.CB, (T0386)E174.CB) [> 3.5378 = 5.8962 < 7.6651] w=0.3774 to align # Constraint # added constraint: constraint((T0386)A148.CB, (T0386)F173.CB) [> 3.5120 = 5.8534 < 7.6094] w=0.3750 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)I217.CB) [> 3.6002 = 6.0003 < 7.8004] w=0.3743 to align # Constraint # added constraint: constraint((T0386)N145.CB, (T0386)M210.CB) [> 3.9489 = 6.5816 < 8.5560] w=0.3737 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)L123.CB) [> 3.6933 = 6.1555 < 8.0021] w=0.3701 to align # Constraint # added constraint: constraint((T0386)L130.CB, (T0386)R141.CB) [> 4.0649 = 6.7749 < 8.8073] w=0.3696 to align # Constraint # added constraint: constraint((T0386)A200.CB, (T0386)L213.CB) [> 4.1244 = 6.8740 < 8.9362] w=0.3640 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)H212.CB) [> 3.9484 = 6.5807 < 8.5549] w=0.3626 to align # Constraint # added constraint: constraint((T0386)M195.CB, (T0386)I217.CB) [> 3.2992 = 5.4987 < 7.1483] w=0.3612 to align # Constraint # added constraint: constraint((T0386)M195.CB, (T0386)F214.CB) [> 4.0343 = 6.7239 < 8.7410] w=0.3601 to align # Constraint # added constraint: constraint((T0386)R87.CB, (T0386)R162.CB) [> 3.2978 = 5.4963 < 7.1452] w=0.3477 to align # Constraint # added constraint: constraint((T0386)T47.CB, (T0386)L75.CB) [> 3.3881 = 5.6468 < 7.3408] w=0.3437 to align # Constraint # added constraint: constraint((T0386)L151.CB, (T0386)L176.CB) [> 3.9215 = 6.5359 < 8.4966] w=0.3390 to align # Constraint # added constraint: constraint((T0386)M51.CB, (T0386)I71.CB) [> 4.4302 = 7.3836 < 9.5987] w=0.3378 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)N175.CB) [> 3.4762 = 5.7937 < 7.5318] w=0.3370 to align # Constraint # added constraint: constraint((T0386)F144.CB, (T0386)L176.CB) [> 3.3562 = 5.5937 < 7.2718] w=0.3337 to align # Constraint # added constraint: constraint((T0386)N156.CB, (T0386)S198.CB) [> 3.7934 = 6.3223 < 8.2190] w=0.3325 to align # Constraint # added constraint: constraint((T0386)N145.CB, (T0386)L207.CB) [> 4.1387 = 6.8979 < 8.9673] w=0.3323 to align # Constraint # added constraint: constraint((T0386)H72.CB, (T0386)A94.CB) [> 3.7652 = 6.2754 < 8.1580] w=0.3313 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)Q120.CB) [> 3.6697 = 6.1162 < 7.9511] w=0.3284 to align # Constraint # added constraint: constraint((T0386)G122.CA, (T0386)S154.CB) [> 4.2272 = 7.0453 < 9.1589] w=0.3199 to align # Constraint # added constraint: constraint((T0386)F144.CB, (T0386)A197.CB) [> 4.3623 = 7.2705 < 9.4516] w=0.3187 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)F144.CB) [> 3.1927 = 5.3211 < 6.9174] w=0.3124 to align # Constraint # added constraint: constraint((T0386)L75.CB, (T0386)T168.CB) [> 3.4148 = 5.6913 < 7.3987] w=0.3113 to align # Constraint # added constraint: constraint((T0386)L75.CB, (T0386)R167.CB) [> 3.7612 = 6.2687 < 8.1493] w=0.3113 to align # Constraint # added constraint: constraint((T0386)I71.CB, (T0386)L171.CB) [> 3.3016 = 5.5027 < 7.1535] w=0.3113 to align # Constraint # added constraint: constraint((T0386)L184.CB, (T0386)S218.CB) [> 4.0113 = 6.6855 < 8.6912] w=0.3032 to align # Constraint # added constraint: constraint((T0386)A177.CB, (T0386)S218.CB) [> 4.0424 = 6.7373 < 8.7585] w=0.3032 to align # Constraint # added constraint: constraint((T0386)H72.CB, (T0386)T168.CB) [> 2.6321 = 4.3869 < 5.7030] w=0.3026 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)F172.CB) [> 3.1298 = 5.2163 < 6.7812] w=0.3026 to align # Constraint # added constraint: constraint((T0386)H72.CB, (T0386)A83.CB) [> 3.6533 = 6.0888 < 7.9154] w=0.3021 to align # Constraint # added constraint: constraint((T0386)N145.CB, (T0386)F214.CB) [> 3.7756 = 6.2927 < 8.1805] w=0.3015 to align # Constraint # added constraint: constraint((T0386)T97.CB, (T0386)I115.CB) [> 4.2114 = 7.0189 < 9.1246] w=0.2999 to align # Constraint # added constraint: constraint((T0386)F144.CB, (T0386)A180.CB) [> 3.6598 = 6.0997 < 7.9296] w=0.2992 to align # Constraint # added constraint: constraint((T0386)L139.CB, (T0386)A180.CB) [> 3.9907 = 6.6512 < 8.6466] w=0.2992 to align # Constraint # added constraint: constraint((T0386)I149.CB, (T0386)Q211.CB) [> 3.3342 = 5.5570 < 7.2241] w=0.2963 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)M194.CB) [> 3.6282 = 6.0470 < 7.8611] w=0.2959 to align # Constraint # added constraint: constraint((T0386)A197.CB, (T0386)M210.CB) [> 2.8577 = 4.7629 < 6.1917] w=0.2949 to align # Constraint # added constraint: constraint((T0386)H159.CB, (T0386)T168.CB) [> 3.3079 = 5.5132 < 7.1672] w=0.2918 to align # Constraint # added constraint: constraint((T0386)L151.CB, (T0386)F172.CB) [> 3.8758 = 6.4596 < 8.3975] w=0.2911 to align # Constraint # added constraint: constraint((T0386)N145.CB, (T0386)A177.CB) [> 4.1836 = 6.9727 < 9.0645] w=0.2893 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)L126.CB) [> 3.7681 = 6.2802 < 8.1642] w=0.2831 to align # Constraint # added constraint: constraint((T0386)M233.CB, (T0386)R243.CB) [> 3.6763 = 6.1272 < 7.9653] w=0.2809 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)A197.CB) [> 3.8381 = 6.3969 < 8.3159] w=0.2781 to align # Constraint # added constraint: constraint((T0386)A48.CB, (T0386)N145.CB) [> 3.5039 = 5.8398 < 7.5918] w=0.2781 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)E215.CB) [> 4.2558 = 7.0930 < 9.2209] w=0.2748 to align # Constraint # added constraint: constraint((T0386)T47.CB, (T0386)Q74.CB) [> 3.7924 = 6.3206 < 8.2168] w=0.2611 to align # Constraint # added constraint: constraint((T0386)F80.CB, (T0386)E163.CB) [> 3.7099 = 6.1832 < 8.0382] w=0.2609 to align # Constraint # added constraint: constraint((T0386)F80.CB, (T0386)R162.CB) [> 4.4245 = 7.3742 < 9.5864] w=0.2609 to align # Constraint # added constraint: constraint((T0386)F76.CB, (T0386)G164.CA) [> 4.0345 = 6.7242 < 8.7415] w=0.2609 to align # Constraint # added constraint: constraint((T0386)F76.CB, (T0386)E163.CB) [> 4.5743 = 7.6239 < 9.9110] w=0.2609 to align # Constraint # added constraint: constraint((T0386)I71.CB, (T0386)T168.CB) [> 2.6995 = 4.4992 < 5.8489] w=0.2609 to align # Constraint # added constraint: constraint((T0386)C69.CB, (T0386)L86.CB) [> 4.5513 = 7.5854 < 9.8611] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)Q169.CB) [> 3.9755 = 6.6258 < 8.6136] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)P160.CB) [> 4.1734 = 6.9557 < 9.0425] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)L155.CB) [> 4.3150 = 7.1916 < 9.3491] w=0.2609 to align # Constraint # added constraint: constraint((T0386)Y67.CB, (T0386)F172.CB) [> 3.9336 = 6.5559 < 8.5227] w=0.2609 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)P160.CB) [> 4.3911 = 7.3186 < 9.5141] w=0.2609 to align # Constraint # added constraint: constraint((T0386)F63.CB, (T0386)N175.CB) [> 4.3167 = 7.1945 < 9.3528] w=0.2609 to align # Constraint # added constraint: constraint((T0386)N153.CB, (T0386)A202.CB) [> 3.7828 = 6.3047 < 8.1961] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)L158.CB) [> 3.5538 = 5.9231 < 7.7000] w=0.2609 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)L158.CB) [> 4.1021 = 6.8368 < 8.8878] w=0.2609 to align # Constraint # added constraint: constraint((T0386)F91.CB, (T0386)H159.CB) [> 3.9208 = 6.5346 < 8.4950] w=0.2609 to align # Constraint # added constraint: constraint((T0386)F91.CB, (T0386)F113.CB) [> 3.2499 = 5.4166 < 7.0416] w=0.2609 to align # Constraint # added constraint: constraint((T0386)P90.CB, (T0386)G116.CA) [> 3.6399 = 6.0664 < 7.8864] w=0.2609 to align # Constraint # added constraint: constraint((T0386)P90.CB, (T0386)I115.CB) [> 3.5478 = 5.9130 < 7.6869] w=0.2609 to align # Constraint # added constraint: constraint((T0386)P90.CB, (T0386)F113.CB) [> 4.5821 = 7.6368 < 9.9279] w=0.2609 to align # Constraint # added constraint: constraint((T0386)I89.CB, (T0386)R162.CB) [> 3.6794 = 6.1324 < 7.9721] w=0.2609 to align # Constraint # added constraint: constraint((T0386)I89.CB, (T0386)G116.CA) [> 4.3929 = 7.3215 < 9.5180] w=0.2609 to align # Constraint # added constraint: constraint((T0386)H88.CB, (T0386)G116.CA) [> 3.9485 = 6.5808 < 8.5550] w=0.2609 to align # Constraint # added constraint: constraint((T0386)W82.CB, (T0386)F161.CB) [> 4.0816 = 6.8028 < 8.8436] w=0.2609 to align # Constraint # added constraint: constraint((T0386)Y85.CB, (T0386)F161.CB) [> 4.4762 = 7.4604 < 9.6985] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L86.CB, (T0386)I119.CB) [> 3.6140 = 6.0233 < 7.8303] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L86.CB, (T0386)L123.CB) [> 4.3968 = 7.3280 < 9.5263] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L86.CB, (T0386)P160.CB) [> 3.0339 = 5.0565 < 6.5735] w=0.2609 to align # Constraint # added constraint: constraint((T0386)L86.CB, (T0386)F161.CB) [> 4.3056 = 7.1761 < 9.3289] w=0.2609 to align # Constraint # added constraint: constraint((T0386)R87.CB, (T0386)G116.CA) [> 3.9758 = 6.6264 < 8.6143] w=0.2609 to align # Constraint # added constraint: constraint((T0386)R87.CB, (T0386)I119.CB) [> 4.4161 = 7.3602 < 9.5682] w=0.2609 to align # Constraint # added constraint: constraint((T0386)R87.CB, (T0386)P160.CB) [> 3.9460 = 6.5767 < 8.5497] w=0.2609 to align # Constraint # added constraint: constraint((T0386)R87.CB, (T0386)F161.CB) [> 3.4857 = 5.8094 < 7.5523] w=0.2609 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)L151.CB) [> 3.0980 = 5.1633 < 6.7123] w=0.2606 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)K178.CB) [> 3.0033 = 5.0055 < 6.5072] w=0.2590 to align # Constraint # added constraint: constraint((T0386)Q169.CB, (T0386)A202.CB) [> 4.2175 = 7.0292 < 9.1380] w=0.2590 to align # Constraint # added constraint: constraint((T0386)S146.CB, (T0386)L207.CB) [> 4.0957 = 6.8261 < 8.8739] w=0.2580 to align # Constraint # added constraint: constraint((T0386)Q169.CB, (T0386)S198.CB) [> 3.6126 = 6.0209 < 7.8272] w=0.2578 to align # Constraint # added constraint: constraint((T0386)L171.CB, (T0386)F229.CB) [> 4.3647 = 7.2745 < 9.4569] w=0.2571 to align # Constraint # added constraint: constraint((T0386)R167.CB, (T0386)F229.CB) [> 3.8304 = 6.3841 < 8.2993] w=0.2560 to align # Constraint # added constraint: constraint((T0386)A177.CB, (T0386)I189.CB) [> 3.6391 = 6.0651 < 7.8846] w=0.2532 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)L126.CB) [> 4.4023 = 7.3372 < 9.5384] w=0.2511 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)M210.CB) [> 4.5118 = 7.5197 < 9.7757] w=0.2490 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)R141.CB) [> 3.7601 = 6.2669 < 8.1469] w=0.2477 to align # Constraint # added constraint: constraint((T0386)F76.CB, (T0386)L123.CB) [> 3.6732 = 6.1220 < 7.9586] w=0.2456 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)F186.CB) [> 3.1983 = 5.3305 < 6.9297] w=0.2450 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)L188.CB) [> 3.8689 = 6.4481 < 8.3825] w=0.2450 to align # Constraint # added constraint: constraint((T0386)L158.CB, (T0386)T168.CB) [> 3.2554 = 5.4256 < 7.0533] w=0.2445 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)M210.CB) [> 3.5633 = 5.9387 < 7.7204] w=0.2444 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)A148.CB) [> 3.0690 = 5.1149 < 6.6494] w=0.2444 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)P209.CB) [> 3.5962 = 5.9936 < 7.7917] w=0.2442 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)M210.CB) [> 4.1141 = 6.8568 < 8.9138] w=0.2427 to align # Constraint # added constraint: constraint((T0386)V20.CB, (T0386)Y62.CB) [> 3.3250 = 5.5416 < 7.2042] w=0.2427 to align # Constraint # added constraint: constraint((T0386)I149.CB, (T0386)F214.CB) [> 3.8501 = 6.4169 < 8.3419] w=0.2424 to align # Constraint # added constraint: constraint((T0386)R55.CB, (T0386)H70.CB) [> 3.7510 = 6.2517 < 8.1273] w=0.2422 to align # Constraint # added constraint: constraint((T0386)A148.CB, (T0386)F172.CB) [> 3.6075 = 6.0125 < 7.8163] w=0.2422 to align # Constraint # added constraint: constraint((T0386)M51.CB, (T0386)A148.CB) [> 4.1223 = 6.8705 < 8.9317] w=0.2414 to align # Constraint # added constraint: constraint((T0386)Q211.CB, (T0386)M233.CB) [> 4.0731 = 6.7885 < 8.8250] w=0.2414 to align # Constraint # added constraint: constraint((T0386)A48.CB, (T0386)A148.CB) [> 3.2783 = 5.4638 < 7.1029] w=0.2384 to align # Constraint # added constraint: constraint((T0386)L130.CB, (T0386)F229.CB) [> 3.6555 = 6.0925 < 7.9203] w=0.2361 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)Q211.CB) [> 3.7928 = 6.3213 < 8.2177] w=0.2344 to align # Constraint # added constraint: constraint((T0386)A48.CB, (T0386)L75.CB) [> 3.2668 = 5.4447 < 7.0781] w=0.2180 to align # Constraint # added constraint: constraint((T0386)Q183.CB, (T0386)S218.CB) [> 3.5984 = 5.9974 < 7.7966] w=0.2174 to align # Constraint # added constraint: constraint((T0386)N185.CB, (T0386)I217.CB) [> 3.1344 = 5.2239 < 6.7911] w=0.2174 to align # Constraint # added constraint: constraint((T0386)S187.CB, (T0386)E228.CB) [> 3.1017 = 5.1694 < 6.7203] w=0.2174 to align # Constraint # added constraint: constraint((T0386)I189.CB, (T0386)I217.CB) [> 3.0479 = 5.0798 < 6.6037] w=0.2174 to align # Constraint # added constraint: constraint((T0386)Q157.CB, (T0386)A202.CB) [> 3.4587 = 5.7645 < 7.4939] w=0.2157 to align # Constraint # added constraint: constraint((T0386)N156.CB, (T0386)V201.CB) [> 3.6886 = 6.1477 < 7.9920] w=0.2157 to align # Constraint # added constraint: constraint((T0386)A48.CB, (T0386)L171.CB) [> 4.3544 = 7.2573 < 9.4345] w=0.2157 to align # Constraint # added constraint: constraint((T0386)S44.CB, (T0386)R167.CB) [> 4.4797 = 7.4662 < 9.7061] w=0.2157 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)L184.CB) [> 4.3327 = 7.2212 < 9.3876] w=0.2136 to align # Constraint # added constraint: constraint((T0386)L54.CB, (T0386)Q74.CB) [> 3.5942 = 5.9903 < 7.7874] w=0.2125 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)F229.CB) [> 3.1717 = 5.2862 < 6.8720] w=0.2098 to align # Constraint # added constraint: constraint((T0386)T97.CB, (T0386)W109.CB) [> 3.9454 = 6.5757 < 8.5483] w=0.2064 to align # Constraint # added constraint: constraint((T0386)F63.CB, (T0386)L123.CB) [> 4.6132 = 7.6886 < 9.9952] w=0.2062 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)G116.CA) [> 3.9561 = 6.5935 < 8.5715] w=0.2062 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)F229.CB) [> 4.0034 = 6.6723 < 8.6740] w=0.2059 to align # Constraint # added constraint: constraint((T0386)F144.CB, (T0386)M194.CB) [> 4.0400 = 6.7334 < 8.7534] w=0.2056 to align # Constraint # added constraint: constraint((T0386)S187.CB, (T0386)A197.CB) [> 3.3535 = 5.5892 < 7.2660] w=0.2051 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)S198.CB) [> 3.9888 = 6.6480 < 8.6424] w=0.2044 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)L151.CB) [> 3.0022 = 5.0037 < 6.5048] w=0.2033 to align # Constraint # added constraint: constraint((T0386)Q74.CB, (T0386)A94.CB) [> 3.5161 = 5.8601 < 7.6182] w=0.2033 to align # Constraint # added constraint: constraint((T0386)I149.CB, (T0386)Q169.CB) [> 3.6758 = 6.1263 < 7.9641] w=0.2026 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)R170.CB) [> 4.1295 = 6.8825 < 8.9472] w=0.2026 to align # Constraint # added constraint: constraint((T0386)K49.CB, (T0386)R141.CB) [> 4.2786 = 7.1310 < 9.2703] w=0.2017 to align # Constraint # added constraint: constraint((T0386)L54.CB, (T0386)I217.CB) [> 4.3720 = 7.2867 < 9.4727] w=0.2011 to align # Constraint # added constraint: constraint((T0386)K191.CB, (T0386)L213.CB) [> 2.8863 = 4.8105 < 6.2536] w=0.2003 to align # Constraint # added constraint: constraint((T0386)T24.CB, (T0386)I52.CB) [> 3.6501 = 6.0835 < 7.9085] w=0.2000 to align # Constraint # added constraint: constraint((T0386)T24.CB, (T0386)M51.CB) [> 3.9806 = 6.6343 < 8.6246] w=0.2000 to align # Constraint # added constraint: constraint((T0386)Y21.CB, (T0386)I52.CB) [> 3.2425 = 5.4041 < 7.0254] w=0.2000 to align # Constraint # added constraint: constraint((T0386)Y19.CB, (T0386)L68.CB) [> 4.1514 = 6.9190 < 8.9946] w=0.2000 to align # Constraint # added constraint: constraint((T0386)Y19.CB, (T0386)Y62.CB) [> 3.6058 = 6.0096 < 7.8125] w=0.2000 to align # Constraint # added constraint: constraint((T0386)Y19.CB, (T0386)I52.CB) [> 4.4857 = 7.4761 < 9.7189] w=0.2000 to align # Constraint # added constraint: constraint((T0386)H18.CB, (T0386)F63.CB) [> 3.7380 = 6.2301 < 8.0991] w=0.2000 to align # Constraint # added constraint: constraint((T0386)H18.CB, (T0386)Y62.CB) [> 2.2935 = 3.8226 < 4.9693] w=0.2000 to align # Constraint # added constraint: constraint((T0386)H17.CB, (T0386)T65.CB) [> 3.9884 = 6.6473 < 8.6415] w=0.2000 to align # Constraint # added constraint: constraint((T0386)Q211.CB, (T0386)M230.CB) [> 3.7435 = 6.2392 < 8.1110] w=0.1996 to align # Constraint # added constraint: constraint((T0386)Q211.CB, (T0386)F229.CB) [> 3.3951 = 5.6585 < 7.3560] w=0.1996 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)A148.CB) [> 3.9560 = 6.5934 < 8.5714] w=0.1996 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)E215.CB) [> 4.0314 = 6.7190 < 8.7347] w=0.1976 to align # Constraint # added constraint: constraint((T0386)L213.CB, (T0386)K222.CB) [> 3.9678 = 6.6130 < 8.5969] w=0.1976 to align # Constraint # added constraint: constraint((T0386)R55.CB, (T0386)Q74.CB) [> 4.4354 = 7.3923 < 9.6100] w=0.1972 to align # Constraint # added constraint: constraint((T0386)M210.CB, (T0386)F229.CB) [> 2.9855 = 4.9758 < 6.4685] w=0.1965 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)F214.CB) [> 3.2951 = 5.4919 < 7.1395] w=0.1960 to align # Constraint # added constraint: constraint((T0386)C43.CB, (T0386)T79.CB) [> 3.5438 = 5.9063 < 7.6782] w=0.1783 to align # Constraint # added constraint: constraint((T0386)I52.CB, (T0386)K222.CB) [> 3.2824 = 5.4707 < 7.1119] w=0.1739 to align # Constraint # added constraint: constraint((T0386)A48.CB, (T0386)R167.CB) [> 4.2945 = 7.1575 < 9.3048] w=0.1739 to align # Constraint # added constraint: constraint((T0386)H45.CB, (T0386)M230.CB) [> 3.7387 = 6.2312 < 8.1006] w=0.1739 to align # Constraint # added constraint: constraint((T0386)V196.CB, (T0386)P209.CB) [> 4.0063 = 6.6771 < 8.6803] w=0.1739 to align # Constraint # added constraint: constraint((T0386)R193.CB, (T0386)L213.CB) [> 3.4051 = 5.6752 < 7.3778] w=0.1739 to align # Constraint # added constraint: constraint((T0386)L188.CB, (T0386)I217.CB) [> 3.0342 = 5.0569 < 6.5740] w=0.1739 to align # Constraint # added constraint: constraint((T0386)F186.CB, (T0386)F229.CB) [> 3.8956 = 6.4927 < 8.4405] w=0.1739 to align # Constraint # added constraint: constraint((T0386)L184.CB, (T0386)I217.CB) [> 3.7260 = 6.2100 < 8.0730] w=0.1739 to align # Constraint # added constraint: constraint((T0386)L184.CB, (T0386)F214.CB) [> 3.4691 = 5.7819 < 7.5165] w=0.1739 to align # Constraint # added constraint: constraint((T0386)R141.CB, (T0386)Q211.CB) [> 4.5044 = 7.5073 < 9.7595] w=0.1739 to align # Constraint # added constraint: constraint((T0386)F93.CB, (T0386)F113.CB) [> 4.5193 = 7.5321 < 9.7918] w=0.1738 to align # Constraint # added constraint: constraint((T0386)M101.CB, (T0386)G122.CA) [> 4.2927 = 7.1546 < 9.3009] w=0.1727 to align # Constraint # added constraint: constraint((T0386)R167.CB, (T0386)M210.CB) [> 4.5513 = 7.5855 < 9.8611] w=0.1727 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)M210.CB) [> 2.7712 = 4.6187 < 6.0043] w=0.1727 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)F214.CB) [> 3.5964 = 5.9941 < 7.7923] w=0.1727 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)F214.CB) [> 3.3914 = 5.6524 < 7.3481] w=0.1727 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)R170.CB) [> 3.2975 = 5.4958 < 7.1445] w=0.1711 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)R170.CB) [> 4.0607 = 6.7678 < 8.7982] w=0.1711 to align # Constraint # added constraint: constraint((T0386)S187.CB, (T0386)L225.CB) [> 3.3249 = 5.5414 < 7.2039] w=0.1701 to align # Constraint # added constraint: constraint((T0386)F186.CB, (T0386)L225.CB) [> 3.1182 = 5.1970 < 6.7561] w=0.1701 to align # Constraint # added constraint: constraint((T0386)T92.CB, (T0386)F113.CB) [> 3.8804 = 6.4673 < 8.4075] w=0.1701 to align # Constraint # added constraint: constraint((T0386)I115.CB, (T0386)M210.CB) [> 3.9197 = 6.5328 < 8.4926] w=0.1674 to align # Constraint # added constraint: constraint((T0386)L158.CB, (T0386)F172.CB) [> 3.5428 = 5.9047 < 7.6761] w=0.1662 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)K191.CB) [> 4.1250 = 6.8751 < 8.9376] w=0.1656 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)M194.CB) [> 3.4465 = 5.7441 < 7.4673] w=0.1654 to align # Constraint # added constraint: constraint((T0386)A83.CB, (T0386)T98.CB) [> 3.9174 = 6.5289 < 8.4876] w=0.1653 to align # Constraint # added constraint: constraint((T0386)A83.CB, (T0386)G96.CA) [> 3.6257 = 6.0429 < 7.8558] w=0.1653 to align # Constraint # added constraint: constraint((T0386)M195.CB, (T0386)K222.CB) [> 2.9810 = 4.9683 < 6.4588] w=0.1648 to align # Constraint # added constraint: constraint((T0386)T24.CB, (T0386)F39.CB) [> 3.5862 = 5.9769 < 7.7700] w=0.1642 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)F214.CB) [> 3.8694 = 6.4489 < 8.3836] w=0.1642 to align # Constraint # added constraint: constraint((T0386)L130.CB, (T0386)M210.CB) [> 3.7714 = 6.2856 < 8.1713] w=0.1642 to align # Constraint # added constraint: constraint((T0386)N185.CB, (T0386)M194.CB) [> 3.4457 = 5.7428 < 7.4657] w=0.1641 to align # Constraint # added constraint: constraint((T0386)G96.CA, (T0386)A114.CB) [> 4.0474 = 6.7457 < 8.7694] w=0.1620 to align # Constraint # added constraint: constraint((T0386)A48.CB, (T0386)I149.CB) [> 4.1756 = 6.9594 < 9.0471] w=0.1619 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)G251.CA) [> 4.5248 = 7.5414 < 9.8038] w=0.1616 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)F229.CB) [> 3.9114 = 6.5191 < 8.4748] w=0.1609 to align # Constraint # added constraint: constraint((T0386)K191.CB, (T0386)I217.CB) [> 3.3217 = 5.5362 < 7.1971] w=0.1609 to align # Constraint # added constraint: constraint((T0386)Y21.CB, (T0386)L40.CB) [> 3.3724 = 5.6206 < 7.3068] w=0.1608 to align # Constraint # added constraint: constraint((T0386)L40.CB, (T0386)M51.CB) [> 4.1803 = 6.9672 < 9.0574] w=0.1608 to align # Constraint # added constraint: constraint((T0386)L226.CB, (T0386)M246.CB) [> 3.5131 = 5.8551 < 7.6116] w=0.1593 to align # Constraint # added constraint: constraint((T0386)F91.CB, (T0386)A100.CB) [> 4.2726 = 7.1210 < 9.2573] w=0.1581 to align # Constraint # added constraint: constraint((T0386)A180.CB, (T0386)M210.CB) [> 4.7627 = 7.9378 < 10.3191] w=0.1574 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)L126.CB) [> 4.2686 = 7.1143 < 9.2486] w=0.1569 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)F229.CB) [> 3.7309 = 6.2181 < 8.0836] w=0.1565 to align # Constraint # added constraint: constraint((T0386)E118.CB, (T0386)S154.CB) [> 3.9618 = 6.6031 < 8.5840] w=0.1555 to align # Constraint # added constraint: constraint((T0386)L86.CB, (T0386)G116.CA) [> 4.7916 = 7.9860 < 10.3817] w=0.1304 to align # Constraint # added constraint: constraint((T0386)F80.CB, (T0386)F161.CB) [> 4.7819 = 7.9698 < 10.3607] w=0.1304 to align # Constraint # added constraint: constraint((T0386)P60.CB, (T0386)Q74.CB) [> 4.4823 = 7.4705 < 9.7116] w=0.1304 to align # Constraint # added constraint: constraint((T0386)F186.CB, (T0386)I217.CB) [> 4.2868 = 7.1447 < 9.2881] w=0.1304 to align # Constraint # added constraint: constraint((T0386)N185.CB, (T0386)L225.CB) [> 4.2301 = 7.0502 < 9.1653] w=0.1304 to align # Constraint # added constraint: constraint((T0386)Q183.CB, (T0386)L225.CB) [> 4.5193 = 7.5322 < 9.7919] w=0.1304 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)Q183.CB) [> 2.8007 = 4.6679 < 6.0683] w=0.1304 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)R170.CB) [> 4.0657 = 6.7762 < 8.8090] w=0.1296 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)I217.CB) [> 3.0742 = 5.1236 < 6.6607] w=0.1293 to align # Constraint # added constraint: constraint((T0386)Q157.CB, (T0386)E203.CB) [> 3.3705 = 5.6176 < 7.3029] w=0.1287 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)R170.CB) [> 4.0528 = 6.7547 < 8.7811] w=0.1272 to align # Constraint # added constraint: constraint((T0386)F63.CB, (T0386)L126.CB) [> 4.2699 = 7.1164 < 9.2514] w=0.1267 to align # Constraint # added constraint: constraint((T0386)L75.CB, (T0386)L123.CB) [> 3.7937 = 6.3229 < 8.2197] w=0.1265 to align # Constraint # added constraint: constraint((T0386)S187.CB, (T0386)V201.CB) [> 3.6471 = 6.0786 < 7.9021] w=0.1264 to align # Constraint # added constraint: constraint((T0386)R125.CB, (T0386)L151.CB) [> 4.6888 = 7.8146 < 10.1590] w=0.1262 to align # Constraint # added constraint: constraint((T0386)N111.CB, (T0386)A202.CB) [> 4.2616 = 7.1027 < 9.2336] w=0.1260 to align # Constraint # added constraint: constraint((T0386)E118.CB, (T0386)L158.CB) [> 4.1117 = 6.8528 < 8.9087] w=0.1253 to align # Constraint # added constraint: constraint((T0386)R125.CB, (T0386)S154.CB) [> 3.6789 = 6.1315 < 7.9710] w=0.1253 to align # Constraint # added constraint: constraint((T0386)E150.CB, (T0386)Q211.CB) [> 3.5687 = 5.9478 < 7.7322] w=0.1253 to align # Constraint # added constraint: constraint((T0386)N153.CB, (T0386)Q211.CB) [> 4.3537 = 7.2562 < 9.4330] w=0.1253 to align # Constraint # added constraint: constraint((T0386)L155.CB, (T0386)N165.CB) [> 4.1304 = 6.8839 < 8.9491] w=0.1253 to align # Constraint # added constraint: constraint((T0386)L155.CB, (T0386)T168.CB) [> 4.1225 = 6.8709 < 8.9321] w=0.1253 to align # Constraint # added constraint: constraint((T0386)N156.CB, (T0386)R170.CB) [> 4.5183 = 7.5306 < 9.7897] w=0.1253 to align # Constraint # added constraint: constraint((T0386)L184.CB, (T0386)S198.CB) [> 4.6232 = 7.7053 < 10.0169] w=0.1240 to align # Constraint # added constraint: constraint((T0386)Q120.CB, (T0386)I149.CB) [> 3.0928 = 5.1546 < 6.7010] w=0.1232 to align # Constraint # added constraint: constraint((T0386)F152.CB, (T0386)N165.CB) [> 2.4548 = 4.0912 < 5.3186] w=0.1232 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)M210.CB) [> 4.2453 = 7.0754 < 9.1981] w=0.1230 to align # Constraint # added constraint: constraint((T0386)Q74.CB, (T0386)D95.CB) [> 4.7613 = 7.9355 < 10.3161] w=0.1230 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)R125.CB) [> 4.4826 = 7.4710 < 9.7122] w=0.1224 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)I217.CB) [> 2.3414 = 3.9023 < 5.0730] w=0.1218 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)R243.CB) [> 3.4303 = 5.7171 < 7.4322] w=0.1217 to align # Constraint # added constraint: constraint((T0386)Y21.CB, (T0386)L36.CB) [> 4.1790 = 6.9651 < 9.0546] w=0.1215 to align # Constraint # added constraint: constraint((T0386)Y21.CB, (T0386)F39.CB) [> 2.5777 = 4.2962 < 5.5851] w=0.1215 to align # Constraint # added constraint: constraint((T0386)K28.CB, (T0386)F39.CB) [> 4.4548 = 7.4246 < 9.6520] w=0.1215 to align # Constraint # added constraint: constraint((T0386)Q73.CB, (T0386)F113.CB) [> 3.4506 = 5.7510 < 7.4763] w=0.1215 to align # Constraint # added constraint: constraint((T0386)P90.CB, (T0386)A100.CB) [> 4.1201 = 6.8669 < 8.9270] w=0.1209 to align # Constraint # added constraint: constraint((T0386)P90.CB, (T0386)A99.CB) [> 3.4487 = 5.7478 < 7.4722] w=0.1209 to align # Constraint # added constraint: constraint((T0386)I89.CB, (T0386)A100.CB) [> 3.4127 = 5.6878 < 7.3941] w=0.1209 to align # Constraint # added constraint: constraint((T0386)H88.CB, (T0386)A100.CB) [> 4.0372 = 6.7286 < 8.7472] w=0.1209 to align # Constraint # added constraint: constraint((T0386)S187.CB, (T0386)S198.CB) [> 3.3606 = 5.6010 < 7.2812] w=0.1207 to align # Constraint # added constraint: constraint((T0386)A83.CB, (T0386)E174.CB) [> 3.7082 = 6.1803 < 8.0344] w=0.1191 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)R125.CB) [> 3.9694 = 6.6157 < 8.6004] w=0.1191 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)E221.CB) [> 3.7684 = 6.2807 < 8.1649] w=0.1191 to align # Constraint # added constraint: constraint((T0386)R125.CB, (T0386)I217.CB) [> 4.3138 = 7.1896 < 9.3465] w=0.1191 to align # Constraint # added constraint: constraint((T0386)F161.CB, (T0386)M210.CB) [> 3.2990 = 5.4983 < 7.1478] w=0.1191 to align # Constraint # added constraint: constraint((T0386)A100.CB, (T0386)W109.CB) [> 3.9310 = 6.5517 < 8.5172] w=0.1189 to align # Constraint # added constraint: constraint((T0386)K110.CB, (T0386)R125.CB) [> 3.9735 = 6.6225 < 8.6093] w=0.1189 to align # Constraint # added constraint: constraint((T0386)I33.CB, (T0386)C43.CB) [> 3.4290 = 5.7149 < 7.4294] w=0.1187 to align # Constraint # added constraint: constraint((T0386)Q157.CB, (T0386)R170.CB) [> 3.4691 = 5.7819 < 7.5164] w=0.1187 to align # Constraint # added constraint: constraint((T0386)L171.CB, (T0386)L188.CB) [> 2.2922 = 3.8204 < 4.9665] w=0.1187 to align # Constraint # added constraint: constraint((T0386)Q211.CB, (T0386)V247.CB) [> 3.3901 = 5.6502 < 7.3453] w=0.1180 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)T190.CB) [> 3.6872 = 6.1453 < 7.9889] w=0.1175 to align # Constraint # added constraint: constraint((T0386)L207.CB, (T0386)T232.CB) [> 2.8801 = 4.8002 < 6.2403] w=0.1175 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)F229.CB) [> 4.6535 = 7.7558 < 10.0825] w=0.1175 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)D216.CB) [> 2.7455 = 4.5759 < 5.9487] w=0.1175 to align # Constraint # added constraint: constraint((T0386)F186.CB, (T0386)V201.CB) [> 3.5305 = 5.8842 < 7.6494] w=0.1161 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)S187.CB) [> 4.4986 = 7.4976 < 9.7469] w=0.1161 to align # Constraint # added constraint: constraint((T0386)L27.CB, (T0386)L36.CB) [> 3.5115 = 5.8525 < 7.6083] w=0.0922 to align # Constraint # added constraint: constraint((T0386)A50.CB, (T0386)Q74.CB) [> 3.6935 = 6.1559 < 8.0026] w=0.0913 to align # Constraint # added constraint: constraint((T0386)E174.CB, (T0386)N185.CB) [> 3.8469 = 6.4116 < 8.3350] w=0.0913 to align # Constraint # added constraint: constraint((T0386)G96.CA, (T0386)A202.CB) [> 4.6065 = 7.6774 < 9.9807] w=0.0870 to align # Constraint # added constraint: constraint((T0386)L40.CB, (T0386)T236.CB) [> 3.8923 = 6.4872 < 8.4333] w=0.0870 to align # Constraint # added constraint: constraint((T0386)H45.CB, (T0386)L226.CB) [> 4.2741 = 7.1236 < 9.2606] w=0.0870 to align # Constraint # added constraint: constraint((T0386)H45.CB, (T0386)F229.CB) [> 4.3436 = 7.2393 < 9.4110] w=0.0870 to align # Constraint # added constraint: constraint((T0386)H45.CB, (T0386)M233.CB) [> 3.0589 = 5.0982 < 6.6277] w=0.0870 to align # Constraint # added constraint: constraint((T0386)F186.CB, (T0386)L226.CB) [> 4.6652 = 7.7753 < 10.1079] w=0.0870 to align # Constraint # added constraint: constraint((T0386)N153.CB, (T0386)E203.CB) [> 4.2450 = 7.0751 < 9.1976] w=0.0870 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)N185.CB) [> 4.7448 = 7.9080 < 10.2804] w=0.0870 to align # Constraint # added constraint: constraint((T0386)N185.CB, (T0386)F214.CB) [> 3.2364 = 5.3940 < 7.0122] w=0.0870 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)F229.CB) [> 4.7515 = 7.9192 < 10.2950] w=0.0868 to align # Constraint # added constraint: constraint((T0386)G116.CA, (T0386)F229.CB) [> 4.6683 = 7.7805 < 10.1146] w=0.0868 to align # Constraint # added constraint: constraint((T0386)M101.CB, (T0386)L171.CB) [> 4.1337 = 6.8895 < 8.9563] w=0.0868 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)F93.CB) [> 3.3279 = 5.5465 < 7.2105] w=0.0868 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)I89.CB) [> 3.7233 = 6.2054 < 8.0671] w=0.0868 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)Q211.CB) [> 4.7137 = 7.8562 < 10.2130] w=0.0868 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)N156.CB) [> 3.7631 = 6.2718 < 8.1533] w=0.0868 to align # Constraint # added constraint: constraint((T0386)Y85.CB, (T0386)A94.CB) [> 4.2208 = 7.0347 < 9.1451] w=0.0859 to align # Constraint # added constraint: constraint((T0386)M101.CB, (T0386)A114.CB) [> 3.9383 = 6.5638 < 8.5329] w=0.0852 to align # Constraint # added constraint: constraint((T0386)K110.CB, (T0386)A177.CB) [> 3.2465 = 5.4109 < 7.0342] w=0.0842 to align # Constraint # added constraint: constraint((T0386)K110.CB, (T0386)H182.CB) [> 2.9712 = 4.9521 < 6.4377] w=0.0842 to align # Constraint # added constraint: constraint((T0386)K110.CB, (T0386)Q183.CB) [> 4.2659 = 7.1098 < 9.2427] w=0.0842 to align # Constraint # added constraint: constraint((T0386)K110.CB, (T0386)L184.CB) [> 3.4964 = 5.8274 < 7.5756] w=0.0842 to align # Constraint # added constraint: constraint((T0386)N111.CB, (T0386)N185.CB) [> 2.7937 = 4.6562 < 6.0531] w=0.0842 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)E174.CB) [> 3.4845 = 5.8075 < 7.5497] w=0.0842 to align # Constraint # added constraint: constraint((T0386)W109.CB, (T0386)N185.CB) [> 3.9086 = 6.5144 < 8.4688] w=0.0842 to align # Constraint # added constraint: constraint((T0386)W109.CB, (T0386)Q183.CB) [> 2.8786 = 4.7977 < 6.2370] w=0.0842 to align # Constraint # added constraint: constraint((T0386)W109.CB, (T0386)H182.CB) [> 4.2070 = 7.0116 < 9.1151] w=0.0842 to align # Constraint # added constraint: constraint((T0386)G96.CA, (T0386)H182.CB) [> 3.7782 = 6.2970 < 8.1862] w=0.0842 to align # Constraint # added constraint: constraint((T0386)I33.CB, (T0386)P90.CB) [> 3.5523 = 5.9205 < 7.6966] w=0.0842 to align # Constraint # added constraint: constraint((T0386)L27.CB, (T0386)F91.CB) [> 3.7391 = 6.2318 < 8.1013] w=0.0842 to align # Constraint # added constraint: constraint((T0386)Y19.CB, (T0386)F91.CB) [> 4.6522 = 7.7537 < 10.0798] w=0.0842 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)I217.CB) [> 4.4124 = 7.3540 < 9.5602] w=0.0842 to align # Constraint # added constraint: constraint((T0386)I115.CB, (T0386)A197.CB) [> 4.6327 = 7.7212 < 10.0376] w=0.0842 to align # Constraint # added constraint: constraint((T0386)I115.CB, (T0386)M194.CB) [> 3.5773 = 5.9622 < 7.7509] w=0.0842 to align # Constraint # added constraint: constraint((T0386)I115.CB, (T0386)I189.CB) [> 4.0450 = 6.7416 < 8.7641] w=0.0842 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)N185.CB) [> 3.8939 = 6.4898 < 8.4367] w=0.0842 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)F186.CB) [> 2.8497 = 4.7495 < 6.1743] w=0.0842 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)V201.CB) [> 4.7404 = 7.9007 < 10.2709] w=0.0842 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)F186.CB) [> 4.2911 = 7.1519 < 9.2975] w=0.0842 to align # Constraint # added constraint: constraint((T0386)C69.CB, (T0386)G96.CA) [> 4.0952 = 6.8253 < 8.8729] w=0.0839 to align # Constraint # added constraint: constraint((T0386)L27.CB, (T0386)D95.CB) [> 3.7811 = 6.3018 < 8.1923] w=0.0835 to align # Constraint # added constraint: constraint((T0386)K30.CB, (T0386)F39.CB) [> 3.4583 = 5.7638 < 7.4929] w=0.0835 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)Q211.CB) [> 3.5162 = 5.8604 < 7.6185] w=0.0833 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)F214.CB) [> 3.0645 = 5.1075 < 6.6397] w=0.0833 to align # Constraint # added constraint: constraint((T0386)F76.CB, (T0386)L155.CB) [> 3.2793 = 5.4655 < 7.1052] w=0.0831 to align # Constraint # added constraint: constraint((T0386)F91.CB, (T0386)A114.CB) [> 4.5759 = 7.6266 < 9.9145] w=0.0829 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)L126.CB) [> 3.3334 = 5.5557 < 7.2224] w=0.0825 to align # Constraint # added constraint: constraint((T0386)G96.CA, (T0386)L123.CB) [> 4.0975 = 6.8292 < 8.8779] w=0.0825 to align # Constraint # added constraint: constraint((T0386)F93.CB, (T0386)A114.CB) [> 3.1955 = 5.3258 < 6.9235] w=0.0824 to align # Constraint # added constraint: constraint((T0386)F229.CB, (T0386)E250.CB) [> 2.8049 = 4.6748 < 6.0772] w=0.0823 to align # Constraint # added constraint: constraint((T0386)F229.CB, (T0386)T253.CB) [> 4.3713 = 7.2855 < 9.4711] w=0.0823 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)E174.CB) [> 4.6600 = 7.7667 < 10.0967] w=0.0821 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)R170.CB) [> 4.2625 = 7.1041 < 9.2354] w=0.0821 to align # Constraint # added constraint: constraint((T0386)L27.CB, (T0386)N78.CB) [> 3.8663 = 6.4438 < 8.3769] w=0.0821 to align # Constraint # added constraint: constraint((T0386)T24.CB, (T0386)Q74.CB) [> 3.1086 = 5.1809 < 6.7352] w=0.0821 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)V247.CB) [> 3.2033 = 5.3388 < 6.9404] w=0.0821 to align # Constraint # added constraint: constraint((T0386)M246.CB, (T0386)L268.CB) [> 3.8479 = 6.4131 < 8.3371] w=0.0821 to align # Constraint # added constraint: constraint((T0386)T253.CB, (T0386)A267.CB) [> 3.9727 = 6.6211 < 8.6074] w=0.0816 to align # Constraint # added constraint: constraint((T0386)F93.CB, (T0386)R125.CB) [> 3.9443 = 6.5738 < 8.5459] w=0.0815 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)T129.CB) [> 4.1055 = 6.8426 < 8.8954] w=0.0815 to align # Constraint # added constraint: constraint((T0386)H88.CB, (T0386)M101.CB) [> 3.8205 = 6.3674 < 8.2776] w=0.0813 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)Q211.CB) [> 3.2825 = 5.4708 < 7.1120] w=0.0809 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)M210.CB) [> 4.6861 = 7.8102 < 10.1533] w=0.0809 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)F214.CB) [> 4.4639 = 7.4398 < 9.6718] w=0.0809 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)A273.CB) [> 3.8527 = 6.4211 < 8.3475] w=0.0808 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)A267.CB) [> 3.4971 = 5.8284 < 7.5770] w=0.0808 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)I275.CB) [> 4.0962 = 6.8271 < 8.8752] w=0.0808 to align # Constraint # added constraint: constraint((T0386)I217.CB, (T0386)V270.CB) [> 3.8006 = 6.3344 < 8.2347] w=0.0808 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)L282.CB) [> 3.7530 = 6.2550 < 8.1315] w=0.0808 to align # Constraint # added constraint: constraint((T0386)E250.CB, (T0386)N278.CB) [> 3.4980 = 5.8300 < 7.5790] w=0.0805 to align # Constraint # added constraint: constraint((T0386)Q74.CB, (T0386)G96.CA) [> 4.1902 = 6.9836 < 9.0787] w=0.0803 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)V247.CB) [> 4.1070 = 6.8451 < 8.8986] w=0.0798 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)F214.CB) [> 3.1486 = 5.2476 < 6.8219] w=0.0796 to align # Constraint # added constraint: constraint((T0386)I217.CB, (T0386)M233.CB) [> 3.9404 = 6.5673 < 8.5375] w=0.0794 to align # Constraint # added constraint: constraint((T0386)T98.CB, (T0386)R170.CB) [> 3.5159 = 5.8599 < 7.6178] w=0.0794 to align # Constraint # added constraint: constraint((T0386)A99.CB, (T0386)W109.CB) [> 2.2259 = 3.7098 < 4.8227] w=0.0794 to align # Constraint # added constraint: constraint((T0386)A100.CB, (T0386)K110.CB) [> 3.0628 = 5.1047 < 6.6361] w=0.0794 to align # Constraint # added constraint: constraint((T0386)M101.CB, (T0386)K110.CB) [> 4.1915 = 6.9858 < 9.0815] w=0.0794 to align # Constraint # added constraint: constraint((T0386)A100.CB, (T0386)A112.CB) [> 3.7720 = 6.2867 < 8.1728] w=0.0794 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)R125.CB) [> 4.6257 = 7.7095 < 10.0224] w=0.0794 to align # Constraint # added constraint: constraint((T0386)G116.CA, (T0386)L126.CB) [> 3.9812 = 6.6354 < 8.6260] w=0.0793 to align # Constraint # added constraint: constraint((T0386)I115.CB, (T0386)L126.CB) [> 3.1466 = 5.2444 < 6.8177] w=0.0792 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)T129.CB) [> 4.6092 = 7.6820 < 9.9866] w=0.0791 to align # Constraint # added constraint: constraint((T0386)W109.CB, (T0386)L139.CB) [> 3.5386 = 5.8976 < 7.6669] w=0.0791 to align # Constraint # added constraint: constraint((T0386)N53.CB, (T0386)T98.CB) [> 3.9812 = 6.6353 < 8.6259] w=0.0790 to align # Constraint # added constraint: constraint((T0386)K49.CB, (T0386)T98.CB) [> 3.8800 = 6.4667 < 8.4068] w=0.0790 to align # Constraint # added constraint: constraint((T0386)L59.CB, (T0386)L130.CB) [> 4.4709 = 7.4514 < 9.6869] w=0.0790 to align # Constraint # added constraint: constraint((T0386)Y19.CB, (T0386)L136.CB) [> 2.7301 = 4.5502 < 5.9152] w=0.0790 to align # Constraint # added constraint: constraint((T0386)V20.CB, (T0386)L136.CB) [> 4.7383 = 7.8971 < 10.2662] w=0.0790 to align # Constraint # added constraint: constraint((T0386)P22.CB, (T0386)H45.CB) [> 3.5267 = 5.8778 < 7.6411] w=0.0790 to align # Constraint # added constraint: constraint((T0386)W82.CB, (T0386)R125.CB) [> 3.6510 = 6.0850 < 7.9105] w=0.0790 to align # Constraint # added constraint: constraint((T0386)W82.CB, (T0386)L126.CB) [> 3.8328 = 6.3880 < 8.3044] w=0.0790 to align # Constraint # added constraint: constraint((T0386)W82.CB, (T0386)T129.CB) [> 3.9203 = 6.5338 < 8.4939] w=0.0790 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)Q211.CB) [> 3.4778 = 5.7964 < 7.5353] w=0.0790 to align # Constraint # added constraint: constraint((T0386)T79.CB, (T0386)T98.CB) [> 3.4037 = 5.6727 < 7.3746] w=0.0790 to align # Constraint # added constraint: constraint((T0386)I33.CB, (T0386)M210.CB) [> 4.7984 = 7.9973 < 10.3965] w=0.0785 to align # Constraint # added constraint: constraint((T0386)K28.CB, (T0386)Q211.CB) [> 4.4339 = 7.3898 < 9.6068] w=0.0785 to align # Constraint # added constraint: constraint((T0386)K28.CB, (T0386)M210.CB) [> 4.3839 = 7.3064 < 9.4984] w=0.0785 to align # Constraint # added constraint: constraint((T0386)H18.CB, (T0386)Y67.CB) [> 4.7965 = 7.9942 < 10.3924] w=0.0785 to align # Constraint # added constraint: constraint((T0386)T11.CB, (T0386)Y62.CB) [> 4.7083 = 7.8471 < 10.2013] w=0.0785 to align # Constraint # added constraint: constraint((T0386)T11.CB, (T0386)V20.CB) [> 4.7225 = 7.8709 < 10.2322] w=0.0785 to align # Constraint # added constraint: constraint((T0386)H182.CB, (T0386)M233.CB) [> 4.4786 = 7.4644 < 9.7037] w=0.0785 to align # Constraint # added constraint: constraint((T0386)L268.CB, (T0386)N278.CB) [> 3.7092 = 6.1821 < 8.0367] w=0.0784 to align # Constraint # added constraint: constraint((T0386)Q211.CB, (T0386)G265.CA) [> 4.0750 = 6.7917 < 8.8292] w=0.0784 to align # Constraint # added constraint: constraint((T0386)M210.CB, (T0386)G265.CA) [> 4.4356 = 7.3926 < 9.6104] w=0.0784 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)G265.CA) [> 4.0219 = 6.7031 < 8.7141] w=0.0784 to align # Constraint # added constraint: constraint((T0386)M233.CB, (T0386)L263.CB) [> 3.5265 = 5.8775 < 7.6408] w=0.0784 to align # Constraint # added constraint: constraint((T0386)A267.CB, (T0386)I276.CB) [> 3.4713 = 5.7854 < 7.5210] w=0.0783 to align # Constraint # added constraint: constraint((T0386)F266.CB, (T0386)N278.CB) [> 4.1021 = 6.8368 < 8.8878] w=0.0783 to align # Constraint # added constraint: constraint((T0386)F266.CB, (T0386)I276.CB) [> 4.5900 = 7.6500 < 9.9449] w=0.0783 to align # Constraint # added constraint: constraint((T0386)I217.CB, (T0386)F229.CB) [> 3.9153 = 6.5255 < 8.4831] w=0.0780 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)L123.CB) [> 3.5041 = 5.8402 < 7.5922] w=0.0778 to align # Constraint # added constraint: constraint((T0386)Y31.CB, (T0386)C43.CB) [> 4.3188 = 7.1980 < 9.3574] w=0.0771 to align # Constraint # added constraint: constraint((T0386)N153.CB, (T0386)S198.CB) [> 3.8537 = 6.4228 < 8.3496] w=0.0771 to align # Constraint # added constraint: constraint((T0386)N153.CB, (T0386)L226.CB) [> 4.5862 = 7.6437 < 9.9368] w=0.0771 to align # Constraint # added constraint: constraint((T0386)Q157.CB, (T0386)F229.CB) [> 2.6481 = 4.4135 < 5.7375] w=0.0771 to align # Constraint # added constraint: constraint((T0386)L59.CB, (T0386)L171.CB) [> 4.6663 = 7.7772 < 10.1104] w=0.0435 to align # Constraint # added constraint: constraint((T0386)G96.CA, (T0386)E203.CB) [> 4.5958 = 7.6596 < 9.9575] w=0.0435 to align # Constraint # added constraint: constraint((T0386)L136.CB, (T0386)L176.CB) [> 3.7853 = 6.3088 < 8.2014] w=0.0435 to align # Constraint # added constraint: constraint((T0386)Q183.CB, (T0386)V240.CB) [> 4.0217 = 6.7029 < 8.7137] w=0.0435 to align # Constraint # added constraint: constraint((T0386)F186.CB, (T0386)T236.CB) [> 3.1667 = 5.2778 < 6.8612] w=0.0435 to align # Constraint # added constraint: constraint((T0386)I115.CB, (T0386)R170.CB) [> 4.1286 = 6.8809 < 8.9452] w=0.0434 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)M210.CB) [> 3.0217 = 5.0361 < 6.5469] w=0.0434 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)M210.CB) [> 4.5146 = 7.5244 < 9.7817] w=0.0434 to align # Constraint # added constraint: constraint((T0386)M101.CB, (T0386)F113.CB) [> 4.4113 = 7.3522 < 9.5578] w=0.0434 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)I217.CB) [> 4.7544 = 7.9240 < 10.3012] w=0.0434 to align # Constraint # added constraint: constraint((T0386)D117.CB, (T0386)L263.CB) [> 3.7980 = 6.3300 < 8.2290] w=0.0434 to align # Constraint # added constraint: constraint((T0386)F93.CB, (T0386)I115.CB) [> 4.0317 = 6.7195 < 8.7354] w=0.0434 to align # Constraint # added constraint: constraint((T0386)M233.CB, (T0386)G260.CA) [> 3.7203 = 6.2005 < 8.0607] w=0.0434 to align # Constraint # added constraint: constraint((T0386)L268.CB, (T0386)K291.CB) [> 4.3469 = 7.2449 < 9.4183] w=0.0434 to align # Constraint # added constraint: constraint((T0386)L268.CB, (T0386)L290.CB) [> 2.9202 = 4.8671 < 6.3272] w=0.0434 to align # Constraint # added constraint: constraint((T0386)L268.CB, (T0386)I289.CB) [> 3.9948 = 6.6581 < 8.6555] w=0.0434 to align # Constraint # added constraint: constraint((T0386)L268.CB, (T0386)L287.CB) [> 3.3151 = 5.5252 < 7.1828] w=0.0434 to align # Constraint # added constraint: constraint((T0386)A267.CB, (T0386)K291.CB) [> 3.0263 = 5.0438 < 6.5569] w=0.0434 to align # Constraint # added constraint: constraint((T0386)A267.CB, (T0386)L290.CB) [> 4.7140 = 7.8567 < 10.2137] w=0.0434 to align # Constraint # added constraint: constraint((T0386)G265.CA, (T0386)K295.CB) [> 4.3854 = 7.3089 < 9.5016] w=0.0434 to align # Constraint # added constraint: constraint((T0386)T255.CB, (T0386)E264.CB) [> 3.9686 = 6.6144 < 8.5987] w=0.0434 to align # Constraint # added constraint: constraint((T0386)Y254.CB, (T0386)K295.CB) [> 4.7872 = 7.9786 < 10.3722] w=0.0434 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)I217.CB) [> 3.3963 = 5.6605 < 7.3587] w=0.0434 to align # Constraint # added constraint: constraint((T0386)N111.CB, (T0386)T129.CB) [> 3.4592 = 5.7653 < 7.4949] w=0.0429 to align # Constraint # added constraint: constraint((T0386)N111.CB, (T0386)I217.CB) [> 2.9954 = 4.9924 < 6.4901] w=0.0429 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)L126.CB) [> 3.3539 = 5.5899 < 7.2668] w=0.0429 to align # Constraint # added constraint: constraint((T0386)A112.CB, (T0386)I217.CB) [> 2.9083 = 4.8471 < 6.3012] w=0.0429 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)R125.CB) [> 4.3716 = 7.2860 < 9.4718] w=0.0429 to align # Constraint # added constraint: constraint((T0386)T92.CB, (T0386)L126.CB) [> 3.3776 = 5.6294 < 7.3182] w=0.0429 to align # Constraint # added constraint: constraint((T0386)T92.CB, (T0386)R125.CB) [> 4.2919 = 7.1531 < 9.2991] w=0.0429 to align # Constraint # added constraint: constraint((T0386)P90.CB, (T0386)T129.CB) [> 3.3340 = 5.5567 < 7.2236] w=0.0429 to align # Constraint # added constraint: constraint((T0386)T79.CB, (T0386)I89.CB) [> 4.1852 = 6.9753 < 9.0679] w=0.0429 to align # Constraint # added constraint: constraint((T0386)N185.CB, (T0386)S198.CB) [> 3.6966 = 6.1611 < 8.0094] w=0.0429 to align # Constraint # added constraint: constraint((T0386)N23.CB, (T0386)L36.CB) [> 3.8520 = 6.4200 < 8.3460] w=0.0427 to align # Constraint # added constraint: constraint((T0386)S15.CB, (T0386)T25.CB) [> 3.6001 = 6.0001 < 7.8001] w=0.0427 to align # Constraint # added constraint: constraint((T0386)I13.CB, (T0386)L68.CB) [> 4.6169 = 7.6948 < 10.0033] w=0.0427 to align # Constraint # added constraint: constraint((T0386)I13.CB, (T0386)T26.CB) [> 3.3464 = 5.5774 < 7.2506] w=0.0427 to align # Constraint # added constraint: constraint((T0386)E12.CB, (T0386)T26.CB) [> 3.9326 = 6.5543 < 8.5206] w=0.0427 to align # Constraint # added constraint: constraint((T0386)N10.CB, (T0386)L68.CB) [> 3.0711 = 5.1185 < 6.6540] w=0.0427 to align # Constraint # added constraint: constraint((T0386)N10.CB, (T0386)T65.CB) [> 3.2105 = 5.3508 < 6.9560] w=0.0427 to align # Constraint # added constraint: constraint((T0386)K9.CB, (T0386)H72.CB) [> 4.2096 = 7.0160 < 9.1208] w=0.0427 to align # Constraint # added constraint: constraint((T0386)K9.CB, (T0386)L68.CB) [> 4.6570 = 7.7616 < 10.0901] w=0.0427 to align # Constraint # added constraint: constraint((T0386)K7.CB, (T0386)T65.CB) [> 4.0965 = 6.8274 < 8.8757] w=0.0427 to align # Constraint # added constraint: constraint((T0386)V199.CB, (T0386)V270.CB) [> 4.3121 = 7.1868 < 9.3429] w=0.0421 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)I217.CB) [> 4.3637 = 7.2729 < 9.4548] w=0.0421 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)V270.CB) [> 2.5912 = 4.3187 < 5.6143] w=0.0421 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)K271.CB) [> 3.4485 = 5.7475 < 7.4717] w=0.0421 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)G272.CA) [> 3.2309 = 5.3849 < 7.0003] w=0.0421 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)A273.CB) [> 2.8357 = 4.7262 < 6.1440] w=0.0421 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)I275.CB) [> 4.7643 = 7.9405 < 10.3227] w=0.0421 to align # Constraint # added constraint: constraint((T0386)N185.CB, (T0386)A202.CB) [> 4.2474 = 7.0791 < 9.2028] w=0.0421 to align # Constraint # added constraint: constraint((T0386)T255.CB, (T0386)F266.CB) [> 4.5670 = 7.6116 < 9.8951] w=0.0421 to align # Constraint # added constraint: constraint((T0386)Y254.CB, (T0386)N269.CB) [> 3.2456 = 5.4093 < 7.0321] w=0.0421 to align # Constraint # added constraint: constraint((T0386)Y254.CB, (T0386)L268.CB) [> 3.1203 = 5.2006 < 6.7607] w=0.0421 to align # Constraint # added constraint: constraint((T0386)Y254.CB, (T0386)A267.CB) [> 4.1986 = 6.9978 < 9.0971] w=0.0421 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)N269.CB) [> 4.4800 = 7.4666 < 9.7066] w=0.0421 to align # Constraint # added constraint: constraint((T0386)I217.CB, (T0386)K271.CB) [> 4.5395 = 7.5659 < 9.8357] w=0.0421 to align # Constraint # added constraint: constraint((T0386)G251.CA, (T0386)N269.CB) [> 3.5481 = 5.9135 < 7.6876] w=0.0421 to align # Constraint # added constraint: constraint((T0386)G251.CA, (T0386)V270.CB) [> 3.4239 = 5.7065 < 7.4185] w=0.0421 to align # Constraint # added constraint: constraint((T0386)I52.CB, (T0386)A94.CB) [> 2.6254 = 4.3758 < 5.6885] w=0.0418 to align # Constraint # added constraint: constraint((T0386)Q157.CB, (T0386)M194.CB) [> 4.4836 = 7.4726 < 9.7143] w=0.0418 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)E203.CB) [> 3.6402 = 6.0669 < 7.8870] w=0.0418 to align # Constraint # added constraint: constraint((T0386)M210.CB, (T0386)M233.CB) [> 3.7074 = 6.1789 < 8.0326] w=0.0418 to align # Constraint # added constraint: constraint((T0386)I89.CB, (T0386)M101.CB) [> 1.8300 = 3.0500 < 3.9650] w=0.0418 to align # Constraint # added constraint: constraint((T0386)I89.CB, (T0386)P102.CB) [> 2.7087 = 4.5145 < 5.8689] w=0.0418 to align # Constraint # added constraint: constraint((T0386)N111.CB, (T0386)E203.CB) [> 4.1859 = 6.9765 < 9.0695] w=0.0418 to align # Constraint # added constraint: constraint((T0386)T97.CB, (T0386)N111.CB) [> 3.2558 = 5.4264 < 7.0543] w=0.0418 to align # Constraint # added constraint: constraint((T0386)A83.CB, (T0386)A200.CB) [> 2.8932 = 4.8219 < 6.2685] w=0.0412 to align # Constraint # added constraint: constraint((T0386)Y31.CB, (T0386)T129.CB) [> 2.6727 = 4.4544 < 5.7907] w=0.0412 to align # Constraint # added constraint: constraint((T0386)T79.CB, (T0386)H88.CB) [> 3.6426 = 6.0711 < 7.8924] w=0.0411 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)E174.CB) [> 4.6521 = 7.7535 < 10.0795] w=0.0411 to align # Constraint # added constraint: constraint((T0386)T129.CB, (T0386)R170.CB) [> 4.0034 = 6.6723 < 8.6740] w=0.0411 to align # Constraint # added constraint: constraint((T0386)L27.CB, (T0386)Q74.CB) [> 3.1538 = 5.2563 < 6.8332] w=0.0411 to align # Constraint # added constraint: constraint((T0386)L27.CB, (T0386)I71.CB) [> 4.3590 = 7.2650 < 9.4445] w=0.0411 to align # Constraint # added constraint: constraint((T0386)D46.CB, (T0386)Q74.CB) [> 4.4017 = 7.3362 < 9.5371] w=0.0411 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)I279.CB) [> 3.6578 = 6.0964 < 7.9253] w=0.0411 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)I279.CB) [> 4.2330 = 7.0550 < 9.1715] w=0.0411 to align # Constraint # added constraint: constraint((T0386)G277.CA, (T0386)L287.CB) [> 2.9906 = 4.9843 < 6.4796] w=0.0411 to align # Constraint # added constraint: constraint((T0386)I276.CB, (T0386)L287.CB) [> 4.5085 = 7.5142 < 9.7684] w=0.0411 to align # Constraint # added constraint: constraint((T0386)L226.CB, (T0386)E250.CB) [> 3.8614 = 6.4356 < 8.3664] w=0.0411 to align # Constraint # added constraint: constraint((T0386)L225.CB, (T0386)T257.CB) [> 4.1795 = 6.9658 < 9.0555] w=0.0411 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)M233.CB) [> 3.4627 = 5.7712 < 7.5026] w=0.0411 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)M233.CB) [> 4.3502 = 7.2503 < 9.4254] w=0.0411 to align # Constraint # added constraint: constraint((T0386)F91.CB, (T0386)N111.CB) [> 3.5083 = 5.8472 < 7.6014] w=0.0397 to align # Constraint # added constraint: constraint((T0386)P90.CB, (T0386)N111.CB) [> 4.4817 = 7.4695 < 9.7103] w=0.0397 to align # Constraint # added constraint: constraint((T0386)A83.CB, (T0386)L290.CB) [> 4.4854 = 7.4756 < 9.7183] w=0.0397 to align # Constraint # added constraint: constraint((T0386)S218.CB, (T0386)Y258.CB) [> 3.4792 = 5.7987 < 7.5384] w=0.0397 to align # Constraint # added constraint: constraint((T0386)N111.CB, (T0386)R125.CB) [> 4.3535 = 7.2558 < 9.4326] w=0.0397 to align # Constraint # added constraint: constraint((T0386)F93.CB, (T0386)T129.CB) [> 3.2803 = 5.4671 < 7.1072] w=0.0397 to align # Constraint # added constraint: constraint((T0386)N153.CB, (T0386)L282.CB) [> 3.8285 = 6.3809 < 8.2951] w=0.0397 to align # Constraint # added constraint: constraint((T0386)E150.CB, (T0386)L282.CB) [> 2.8991 = 4.8318 < 6.2813] w=0.0397 to align # Constraint # added constraint: constraint((T0386)L68.CB, (T0386)F113.CB) [> 4.5711 = 7.6186 < 9.9041] w=0.0397 to align # Constraint # added constraint: constraint((T0386)T65.CB, (T0386)T129.CB) [> 2.7020 = 4.5034 < 5.8544] w=0.0397 to align # Constraint # added constraint: constraint((T0386)L36.CB, (T0386)Q74.CB) [> 3.6127 = 6.0211 < 7.8275] w=0.0397 to align # Constraint # added constraint: constraint((T0386)M194.CB, (T0386)L268.CB) [> 3.5826 = 5.9710 < 7.7623] w=0.0397 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)L263.CB) [> 3.6097 = 6.0162 < 7.8211] w=0.0397 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)A267.CB) [> 3.6554 = 6.0923 < 7.9200] w=0.0397 to align # Constraint # added constraint: constraint((T0386)E142.CB, (T0386)L268.CB) [> 2.3835 = 3.9725 < 5.1642] w=0.0397 to align # Constraint # added constraint: constraint((T0386)I14.CB, (T0386)H159.CB) [> 3.7716 = 6.2860 < 8.1717] w=0.0397 to align # Constraint # added constraint: constraint((T0386)I14.CB, (T0386)Q157.CB) [> 4.7906 = 7.9844 < 10.3797] w=0.0397 to align # Constraint # added constraint: constraint((T0386)I14.CB, (T0386)L59.CB) [> 3.7542 = 6.2570 < 8.1341] w=0.0397 to align # Constraint # added constraint: constraint((T0386)I14.CB, (T0386)S58.CB) [> 3.7038 = 6.1730 < 8.0249] w=0.0397 to align # Constraint # added constraint: constraint((T0386)I14.CB, (T0386)N23.CB) [> 4.3241 = 7.2069 < 9.3689] w=0.0397 to align # Constraint # added constraint: constraint((T0386)I13.CB, (T0386)P160.CB) [> 4.0764 = 6.7940 < 8.8322] w=0.0397 to align # Constraint # added constraint: constraint((T0386)I13.CB, (T0386)H159.CB) [> 3.5723 = 5.9538 < 7.7399] w=0.0397 to align # Constraint # added constraint: constraint((T0386)E12.CB, (T0386)M194.CB) [> 4.7651 = 7.9419 < 10.3245] w=0.0397 to align # Constraint # added constraint: constraint((T0386)E12.CB, (T0386)P160.CB) [> 4.1927 = 6.9878 < 9.0841] w=0.0397 to align # Constraint # added constraint: constraint((T0386)L27.CB, (T0386)L59.CB) [> 3.8424 = 6.4041 < 8.3253] w=0.0397 to align # Constraint # added constraint: constraint((T0386)A179.CB, (T0386)V270.CB) [> 4.6642 = 7.7737 < 10.1058] w=0.0397 to align # Constraint # added constraint: constraint((T0386)M233.CB, (T0386)F266.CB) [> 2.9281 = 4.8801 < 6.3442] w=0.0397 to align # Constraint # added constraint: constraint((T0386)M233.CB, (T0386)G262.CA) [> 3.6062 = 6.0104 < 7.8135] w=0.0397 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)K271.CB) [> 3.3950 = 5.6583 < 7.3558] w=0.0396 to align # Constraint # added constraint: constraint((T0386)R170.CB, (T0386)G272.CA) [> 3.8420 = 6.4034 < 8.3244] w=0.0396 to align # Constraint # added constraint: constraint((T0386)F113.CB, (T0386)L123.CB) [> 3.4464 = 5.7440 < 7.4672] w=0.0396 to align # Constraint # added constraint: constraint((T0386)N111.CB, (T0386)L126.CB) [> 4.3123 = 7.1871 < 9.3433] w=0.0396 to align # Constraint # added constraint: constraint((T0386)F266.CB, (T0386)I279.CB) [> 4.4449 = 7.4082 < 9.6306] w=0.0396 to align # Constraint # added constraint: constraint((T0386)L207.CB, (T0386)G265.CA) [> 2.8631 = 4.7719 < 6.2035] w=0.0396 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)A202.CB) [> 4.7029 = 7.8381 < 10.1896] w=0.0395 to align # Constraint # added constraint: constraint((T0386)L126.CB, (T0386)S198.CB) [> 2.8513 = 4.7521 < 6.1778] w=0.0395 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)S198.CB) [> 3.6236 = 6.0394 < 7.8512] w=0.0395 to align # Constraint # added constraint: constraint((T0386)L123.CB, (T0386)M194.CB) [> 3.9207 = 6.5345 < 8.4949] w=0.0395 to align # Constraint # added constraint: constraint((T0386)I115.CB, (T0386)R125.CB) [> 2.3422 = 3.9037 < 5.0748] w=0.0395 to align # Constraint # added constraint: constraint((T0386)P16.CB, (T0386)T236.CB) [> 4.7152 = 7.8587 < 10.2164] w=0.0395 to align # Constraint # added constraint: constraint((T0386)A114.CB, (T0386)M194.CB) [> 4.0781 = 6.7969 < 8.8360] w=0.0395 to align # Constraint # added constraint: constraint((T0386)V247.CB, (T0386)L282.CB) [> 4.2644 = 7.1073 < 9.2395] w=0.0395 to align # Constraint # added constraint: constraint((T0386)Y254.CB, (T0386)L263.CB) [> 4.1570 = 6.9284 < 9.0069] w=0.0395 to align # Constraint # added constraint: constraint((T0386)G260.CA, (T0386)I275.CB) [> 4.2517 = 7.0861 < 9.2120] w=0.0395 to align # Constraint # added constraint: constraint((T0386)L263.CB, (T0386)I275.CB) [> 3.7569 = 6.2614 < 8.1398] w=0.0395 to align # Constraint # added constraint: constraint((T0386)N175.CB, (T0386)P283.CB) [> 3.7226 = 6.2043 < 8.0656] w=0.0395 to align # Constraint # added constraint: constraint((T0386)A94.CB, (T0386)L126.CB) [> 3.5918 = 5.9863 < 7.7822] w=0.0390 to align # Constraint # added constraint: constraint((T0386)E203.CB, (T0386)F229.CB) [> 4.6138 = 7.6897 < 9.9966] w=0.0390 to align # Constraint # added constraint: constraint((T0386)I217.CB, (T0386)I275.CB) [> 4.3491 = 7.2484 < 9.4229] w=0.0387 to align # Constraint # added constraint: constraint((T0386)A202.CB, (T0386)V270.CB) [> 3.2258 = 5.3763 < 6.9892] w=0.0387 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)I275.CB) [> 3.5100 = 5.8500 < 7.6050] w=0.0387 to align # Constraint # added constraint: constraint((T0386)S198.CB, (T0386)V270.CB) [> 4.6246 = 7.7077 < 10.0200] w=0.0387 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)F266.CB) [> 3.3917 = 5.6529 < 7.3488] w=0.0387 to align # Constraint # added constraint: constraint((T0386)F214.CB, (T0386)G265.CA) [> 4.4644 = 7.4407 < 9.6729] w=0.0387 to align # Constraint # added constraint: constraint((T0386)Q211.CB, (T0386)A267.CB) [> 4.0145 = 6.6908 < 8.6981] w=0.0387 to align # Constraint # added constraint: constraint((T0386)Q211.CB, (T0386)F266.CB) [> 3.0135 = 5.0225 < 6.5292] w=0.0387 to align # Constraint # added constraint: constraint((T0386)M233.CB, (T0386)L287.CB) [> 2.3373 = 3.8955 < 5.0641] w=0.0387 to align # Constraint # added constraint: constraint((T0386)Y254.CB, (T0386)G265.CA) [> 4.1242 = 6.8736 < 8.9357] w=0.0387 to align # Constraint # added constraint: constraint((T0386)M246.CB, (T0386)Y274.CB) [> 4.5663 = 7.6105 < 9.8937] w=0.0387 to align # Constraint # added constraint: constraint((T0386)M233.CB, (T0386)Y274.CB) [> 4.3088 = 7.1814 < 9.3358] w=0.0387 to align # Constraint # added constraint: constraint((T0386)F229.CB, (T0386)Y274.CB) [> 4.7765 = 7.9609 < 10.3492] w=0.0387 to align # Constraint # added constraint: constraint((T0386)K222.CB, (T0386)Y258.CB) [> 4.5730 = 7.6217 < 9.9081] w=0.0386 to align # Constraint # added constraint: constraint((T0386)V240.CB, (T0386)G272.CA) [> 4.7327 = 7.8878 < 10.2542] w=0.0386 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0386/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0386/decoys/ # ReadConformPDB reading from PDB file T0386.chimera.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 293 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0386.chimera2.pdb.gz looking for model 1 # Found a chain break before 295 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0386.chimera3.pdb.gz looking for model 1 # Found a chain break before 293 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0386.chimera4.pdb.gz looking for model 1 # Found a chain break before 295 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0386.chimera5.pdb.gz looking for model 1 # Found a chain break before 296 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0386.chimera6.pdb.gz looking for model 1 # Found a chain break before 296 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0386.chimera7.pdb.gz looking for model 1 # Found a chain break before 295 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-4-1.pdb.gz looking for model 1 # Found a chain break before 295 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 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 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # 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 T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_RECOM_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_RECOM_TS5 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 265 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS1 # ReadConformPDB reading from PDB file servers/3Dpro_TS2.pdb.gz looking for model 1 # Found a chain break before 255 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS2 # ReadConformPDB reading from PDB file servers/3Dpro_TS3.pdb.gz looking for model 1 # Found a chain break before 262 # 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 253 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS5 # ReadConformPDB reading from PDB file servers/ABIpro_TS1.pdb.gz looking for model 1 # Found a chain break before 289 # 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 296 # 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 294 # 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 239 # 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 273 # copying to AlignedFragments data structure # naming current conformation ABIpro_TS5 # ReadConformPDB reading from PDB file servers/BayesHH_TS1.pdb.gz looking for model 1 # Found a chain break before 235 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 263 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 298 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS2 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS3.pdb.gz looking for model 1 # Found a chain break before 288 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS3 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS4.pdb.gz looking for model 1 # Found a chain break before 298 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # Found a chain break before 228 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CPHmodels_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation CPHmodels_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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: atoms too close: (T0386)N235.C and (T0386)T236.N only 0 apart, marking (T0386)T236.N as missing WARNING: atoms too close: (T0386)T236.N and (T0386)T236.CA only 0 apart, marking (T0386)T236.CA as missing WARNING: atoms too close: (T0386)N235.C and (T0386)T236.CA only 0 apart, marking (T0386)T236.CA as missing WARNING: atoms too close: (T0386)T236.CA and (T0386)T236.CB only 0 apart, marking (T0386)T236.CB as missing WARNING: atoms too close: (T0386)T236.N and (T0386)T236.CB only 0 apart, marking (T0386)T236.CB as missing WARNING: atoms too close: (T0386)N235.C and (T0386)T236.CB only 0 apart, marking (T0386)T236.CB as missing WARNING: atoms too close: (T0386)T236.CB and (T0386)T236.CG2 only 0 apart, marking (T0386)T236.CG2 as missing WARNING: atoms too close: (T0386)T236.CA and (T0386)T236.CG2 only 0 apart, marking (T0386)T236.CG2 as missing WARNING: atoms too close: (T0386)T236.N and (T0386)T236.CG2 only 0 apart, marking (T0386)T236.CG2 as missing WARNING: atoms too close: (T0386)N235.C and (T0386)T236.CG2 only 0 apart, marking (T0386)T236.CG2 as missing WARNING: atoms too close: (T0386)T236.CG2 and (T0386)T236.OG1 only 0 apart, marking (T0386)T236.OG1 as missing WARNING: atoms too close: (T0386)T236.CB and (T0386)T236.OG1 only 0 apart, marking (T0386)T236.OG1 as missing WARNING: atoms too close: (T0386)T236.CA and (T0386)T236.OG1 only 0 apart, marking (T0386)T236.OG1 as missing WARNING: atoms too close: (T0386)T236.N and (T0386)T236.OG1 only 0 apart, marking (T0386)T236.OG1 as missing WARNING: atoms too close: (T0386)N235.C and (T0386)T236.OG1 only 0 apart, marking (T0386)T236.OG1 as missing WARNING: atoms too close: (T0386)T236.OG1 and (T0386)T236.O only 0 apart, marking (T0386)T236.O as missing WARNING: atoms too close: (T0386)T236.CG2 and (T0386)T236.O only 0 apart, marking (T0386)T236.O as missing WARNING: atoms too close: (T0386)T236.CB and (T0386)T236.O only 0 apart, marking (T0386)T236.O as missing WARNING: atoms too close: (T0386)T236.CA and (T0386)T236.O only 0 apart, marking (T0386)T236.O as missing WARNING: atoms too close: (T0386)T236.N and (T0386)T236.O only 0 apart, marking (T0386)T236.O as missing WARNING: atoms too close: (T0386)N235.C and (T0386)T236.O only 0 apart, marking (T0386)T236.O as missing WARNING: atoms too close: (T0386)T236.O and (T0386)T236.C only 0 apart, marking (T0386)T236.C as missing WARNING: atoms too close: (T0386)T236.OG1 and (T0386)T236.C only 0 apart, marking (T0386)T236.C as missing WARNING: atoms too close: (T0386)T236.CG2 and (T0386)T236.C only 0 apart, marking (T0386)T236.C as missing WARNING: atoms too close: (T0386)T236.CB and (T0386)T236.C only 0 apart, marking (T0386)T236.C as missing WARNING: atoms too close: (T0386)T236.CA and (T0386)T236.C only 0 apart, marking (T0386)T236.C as missing WARNING: atoms too close: (T0386)T236.N and (T0386)T236.C only 0 apart, marking (T0386)T236.C as missing WARNING: atoms too close: (T0386)N235.C and (T0386)T236.C only 0 apart, marking (T0386)T236.C as missing # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 296 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 291 # copying to AlignedFragments data structure # naming current conformation FAMS_TS1 # ReadConformPDB reading from PDB file servers/FAMS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 265 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # Found a chain break before 252 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 294 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 112 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS5 # ReadConformPDB reading from PDB file servers/FORTE1_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation FORTE1_AL4 # ReadConformPDB reading from PDB file servers/FORTE1_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 269 # 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 283 # 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 274 # 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 224 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS4 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS5.pdb.gz looking for model 1 # Found a chain break before 248 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 268 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # Found a chain break before 291 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 Skipped atom 22, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 38, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 40, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 182, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 184, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 214, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 216, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 218, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 250, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 252, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 320, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 338, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 339, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 341, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 342, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 344, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 345, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 347, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 348, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 418, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 420, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 422, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 424, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 606, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 608, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 610, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 612, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 706, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 708, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 710, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 712, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0386 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 T0386 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 # Found a chain break before 295 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # Found a chain break before 291 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 # Found a chain break before 291 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/Frankenstein_TS1.pdb.gz looking for model 1 # Found a chain break before 239 # 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 264 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/Frankenstein_TS4.pdb.gz looking for model 1 # Found a chain break before 234 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS4 # ReadConformPDB reading from PDB file servers/Frankenstein_TS5.pdb.gz looking for model 1 # Found a chain break before 292 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 203 # copying to AlignedFragments data structure # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation HHpred2_TS1 # ReadConformPDB reading from PDB file servers/HHpred3_TS1.pdb.gz looking for model 1 # Found a chain break before 236 # copying to AlignedFragments data structure # naming current conformation HHpred3_TS1 # ReadConformPDB reading from PDB file servers/Huber-Torda-Server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation LOOPP_TS2 # ReadConformPDB reading from PDB file servers/LOOPP_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation LOOPP_TS3 # ReadConformPDB reading from PDB file servers/LOOPP_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 274 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 297 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 212 # 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 138 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 285 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 297 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS3.pdb.gz looking for model 1 # Found a chain break before 172 # 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 160 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS5.pdb.gz looking for model 1 # Found a chain break before 273 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS5 # ReadConformPDB reading from PDB file servers/MetaTasser_TS1.pdb.gz looking for model 1 # Found a chain break before 298 # 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 279 # 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 298 # 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 293 # 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 297 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # Found a chain break before 223 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # Found a chain break before 207 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # Found a chain break before 251 # 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 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 221 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 226 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation Pcons6_TS4 # ReadConformPDB reading from PDB file servers/Pcons6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 296 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 296 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 296 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS3 # ReadConformPDB reading from PDB file servers/Phyre-2_TS4.pdb.gz looking for model 1 # Found a chain break before 296 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # Found a chain break before 296 # 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 222 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 217 # 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 T0386 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS1.pdb.gz looking for model 1 # Found a chain break before 246 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS2.pdb.gz looking for model 1 # Found a chain break before 249 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # 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 132 # 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 295 # 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 283 # 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 275 # 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 296 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 218 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 216 # 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 216 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 183 # 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 221 # 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 222 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # Found a chain break before 222 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 217 # 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: atoms too close: (T0386)P2.CA and (T0386)P2.CB only 0.000 apart, marking (T0386)P2.CB as missing WARNING: atoms too close: (T0386)K5.CA and (T0386)K5.CB only 0.000 apart, marking (T0386)K5.CB as missing WARNING: atoms too close: (T0386)T11.CA and (T0386)T11.CB only 0.000 apart, marking (T0386)T11.CB as missing WARNING: atoms too close: (T0386)N23.CA and (T0386)N23.CB only 0.000 apart, marking (T0386)N23.CB as missing WARNING: atoms too close: (T0386)V245.CA and (T0386)V245.CB only 0.000 apart, marking (T0386)V245.CB as missing WARNING: atoms too close: (T0386)A248.CA and (T0386)A248.CB only 0.000 apart, marking (T0386)A248.CB as missing WARNING: atoms too close: (T0386)T253.CA and (T0386)T253.CB only 0.000 apart, marking (T0386)T253.CB as missing WARNING: atoms too close: (T0386)T257.CA and (T0386)T257.CB only 0.000 apart, marking (T0386)T257.CB as missing WARNING: atoms too close: (T0386)V270.CA and (T0386)V270.CB only 0.000 apart, marking (T0386)V270.CB as missing # WARNING: incomplete conformation T0386 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: atoms too close: (T0386)P2.CA and (T0386)P2.CB only 0.000 apart, marking (T0386)P2.CB as missing WARNING: atoms too close: (T0386)K7.CA and (T0386)K7.CB only 0.000 apart, marking (T0386)K7.CB as missing WARNING: atoms too close: (T0386)T11.CA and (T0386)T11.CB only 0.000 apart, marking (T0386)T11.CB as missing WARNING: atoms too close: (T0386)P244.CA and (T0386)P244.CB only 0.000 apart, marking (T0386)P244.CB as missing WARNING: atoms too close: (T0386)A248.CA and (T0386)A248.CB only 0.000 apart, marking (T0386)A248.CB as missing WARNING: atoms too close: (T0386)T253.CA and (T0386)T253.CB only 0.000 apart, marking (T0386)T253.CB as missing WARNING: atoms too close: (T0386)T257.CA and (T0386)T257.CB only 0.000 apart, marking (T0386)T257.CB as missing WARNING: atoms too close: (T0386)A267.CA and (T0386)A267.CB only 0.000 apart, marking (T0386)A267.CB as missing WARNING: atoms too close: (T0386)V270.CA and (T0386)V270.CB only 0.000 apart, marking (T0386)V270.CB as missing WARNING: atoms too close: (T0386)P284.CA and (T0386)P284.CB only 0.000 apart, marking (T0386)P284.CB as missing # WARNING: incomplete conformation T0386 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: atoms too close: (T0386)M1.CA and (T0386)M1.CB only 0.000 apart, marking (T0386)M1.CB as missing WARNING: atoms too close: (T0386)T11.CA and (T0386)T11.CB only 0.000 apart, marking (T0386)T11.CB as missing WARNING: atoms too close: (T0386)P16.CA and (T0386)P16.CB only 0.000 apart, marking (T0386)P16.CB as missing WARNING: atoms too close: (T0386)H18.CA and (T0386)H18.CB only 0.000 apart, marking (T0386)H18.CB as missing WARNING: atoms too close: (T0386)N23.CA and (T0386)N23.CB only 0.000 apart, marking (T0386)N23.CB as missing WARNING: atoms too close: (T0386)V245.CA and (T0386)V245.CB only 0.000 apart, marking (T0386)V245.CB as missing WARNING: atoms too close: (T0386)A248.CA and (T0386)A248.CB only 0.000 apart, marking (T0386)A248.CB as missing WARNING: atoms too close: (T0386)A261.CA and (T0386)A261.CB only 0.000 apart, marking (T0386)A261.CB as missing WARNING: atoms too close: (T0386)V270.CA and (T0386)V270.CB only 0.000 apart, marking (T0386)V270.CB as missing # WARNING: incomplete conformation T0386 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: atoms too close: (T0386)P2.CA and (T0386)P2.CB only 0.000 apart, marking (T0386)P2.CB as missing WARNING: atoms too close: (T0386)A4.CA and (T0386)A4.CB only 0.000 apart, marking (T0386)A4.CB as missing WARNING: atoms too close: (T0386)K7.CA and (T0386)K7.CB only 0.000 apart, marking (T0386)K7.CB as missing WARNING: atoms too close: (T0386)P16.CA and (T0386)P16.CB only 0.000 apart, marking (T0386)P16.CB as missing WARNING: atoms too close: (T0386)H17.CA and (T0386)H17.CB only 0.000 apart, marking (T0386)H17.CB as missing WARNING: atoms too close: (T0386)Y19.CA and (T0386)Y19.CB only 0.000 apart, marking (T0386)Y19.CB as missing WARNING: atoms too close: (T0386)Y21.CA and (T0386)Y21.CB only 0.000 apart, marking (T0386)Y21.CB as missing WARNING: atoms too close: (T0386)T24.CA and (T0386)T24.CB only 0.000 apart, marking (T0386)T24.CB as missing WARNING: atoms too close: (T0386)N29.CA and (T0386)N29.CB only 0.000 apart, marking (T0386)N29.CB as missing WARNING: atoms too close: (T0386)T232.CA and (T0386)T232.CB only 0.000 apart, marking (T0386)T232.CB as missing WARNING: atoms too close: (T0386)P244.CA and (T0386)P244.CB only 0.000 apart, marking (T0386)P244.CB as missing WARNING: atoms too close: (T0386)T257.CA and (T0386)T257.CB only 0.000 apart, marking (T0386)T257.CB as missing WARNING: atoms too close: (T0386)T297.CA and (T0386)T297.CB only 0.000 apart, marking (T0386)T297.CB as missing # WARNING: incomplete conformation T0386 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: atoms too close: (T0386)K5.CA and (T0386)K5.CB only 0.000 apart, marking (T0386)K5.CB as missing WARNING: atoms too close: (T0386)K7.CA and (T0386)K7.CB only 0.000 apart, marking (T0386)K7.CB as missing WARNING: atoms too close: (T0386)P16.CA and (T0386)P16.CB only 0.000 apart, marking (T0386)P16.CB as missing WARNING: atoms too close: (T0386)V20.CA and (T0386)V20.CB only 0.000 apart, marking (T0386)V20.CB as missing WARNING: atoms too close: (T0386)Y21.CA and (T0386)Y21.CB only 0.000 apart, marking (T0386)Y21.CB as missing WARNING: atoms too close: (T0386)P22.CA and (T0386)P22.CB only 0.000 apart, marking (T0386)P22.CB as missing WARNING: atoms too close: (T0386)P244.CA and (T0386)P244.CB only 0.000 apart, marking (T0386)P244.CB as missing WARNING: atoms too close: (T0386)A248.CA and (T0386)A248.CB only 0.000 apart, marking (T0386)A248.CB as missing WARNING: atoms too close: (T0386)A261.CA and (T0386)A261.CB only 0.000 apart, marking (T0386)A261.CB as missing # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 Skipped atom 10, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 12, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 14, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 16, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 154, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 156, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 158, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 160, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 226, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 228, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 294, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 296, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 298, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 300, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 318, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 319, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 321, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 322, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 324, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 325, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 327, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 402, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 404, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 406, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 408, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 598, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 600, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 602, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz Skipped atom 604, because occupancy 1.000 <= existing 1.000 in servers/SAM-T02_AL1.pdb.gz # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM-T99_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL2 # ReadConformPDB reading from PDB file servers/SAM-T99_AL3.pdb.gz looking for model 1 Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 142, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 144, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 170, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 172, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 174, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 210, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 212, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 278, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 280, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 282, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 284, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 302, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 303, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 305, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 306, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 308, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 309, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 311, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 312, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 386, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 388, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 390, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 392, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 578, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 580, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 582, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 584, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 678, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 680, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 682, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz Skipped atom 684, because occupancy 1.000 <= existing 1.000 in servers/SAM-T99_AL3.pdb.gz # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL3 # ReadConformPDB reading from PDB file servers/SAM-T99_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL4 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 295 # 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 T0386 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 T0386 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 T0386 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 T0386 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 249 # 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 219 # copying to AlignedFragments data structure # naming current conformation SP3_TS2 # ReadConformPDB reading from PDB file servers/SP3_TS3.pdb.gz looking for model 1 # Found a chain break before 95 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 291 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 188 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # Found a chain break before 183 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 250 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 282 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 100 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # 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 271 # 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 257 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 265 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS4 # ReadConformPDB reading from PDB file servers/SPARKS2_TS5.pdb.gz looking for model 1 # Found a chain break before 275 # 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0386)T129.CA and (T0386)N135.CA only 0.000 apart, marking (T0386)N135.CA as missing WARNING: atoms too close: (T0386)L130.CA and (T0386)L136.CA only 0.000 apart, marking (T0386)L136.CA as missing WARNING: atoms too close: (T0386)L130.C and (T0386)L136.C only 0.000 apart, marking (T0386)L136.C as missing WARNING: atoms too close: (T0386)A131.CA and (T0386)Q137.CA only 0.000 apart, marking (T0386)Q137.CA as missing WARNING: atoms too close: (T0386)E132.CA and (T0386)E142.CA only 0.000 apart, marking (T0386)E142.CA as missing WARNING: atoms too close: (T0386)K133.CA and (T0386)E143.CA only 0.000 apart, marking (T0386)E143.CA as missing # WARNING: incomplete conformation T0386 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 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 42, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 44, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 46, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 48, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 186, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 188, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 190, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 192, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 218, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 220, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 222, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 224, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 254, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 256, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 258, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 260, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 326, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 328, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 330, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 332, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 350, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 351, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 353, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 354, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 356, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 357, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 359, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 360, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 434, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 436, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 438, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 440, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 626, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 628, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 630, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz Skipped atom 632, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL1.pdb.gz # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 297 # 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 292 # 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 283 # 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 281 # 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 296 # 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 298 # 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 257 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS3.pdb.gz looking for model 1 # Found a chain break before 211 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS4.pdb.gz looking for model 1 # Found a chain break before 258 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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 T0386 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 T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 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: atom 1 has residue number 1 < previous residue 252 in servers/nFOLD_TS1.pdb.gz # WARNING: incomplete conformation T0386 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 T0386 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: atom 1 has residue number 1 < previous residue 259 in servers/nFOLD_TS3.pdb.gz # WARNING: incomplete conformation T0386 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 T0386 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 252 in servers/nFOLD_TS5.pdb.gz # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation panther2_TS1 # ReadConformPDB reading from PDB file servers/panther3_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation panther3_TS1 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0386 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 263 model score 1.5089 model score 1.4050 model score 1.4131 model score 1.3530 model score 1.0557 model score 1.0399 model score 1.0516 model score 1.2673 model score 1.8616 model score 1.8167 model score 1.8584 model score 1.8646 model score 1.7949 model score 1.4290 model score 1.4267 model score 1.4267 model score 1.4213 model score 1.6854 model score 1.6066 model score 1.7510 model score 1.4098 model score 1.3613 model score 1.2083 model score 1.0544 model score 1.3318 model score 0.8335 model score 1.5131 model score 1.5060 model score 1.5423 model score 1.5607 model score 1.5155 model score 0.8434 model score 1.9250 model score 1.0984 model score 1.9255 model score 1.1332 model score 1.1578 model score 0.7997 model score 0.6373 model score 0.6645 model score 0.7096 model score 0.6590 model score 1.0734 model score 0.7154 model score 0.7134 model score 1.8898 model score 1.8387 model score 1.5437 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.9050 model score 0.7666 model score 0.7733 model score 0.7793 model score 2.1973 model score 0.8351 model score 0.6590 model score 0.6645 model score 0.7096 model score 0.7997 model score 1.4314 model score 1.2258 model score 0.8335 model score 0.9950 model score 0.8381 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.2515 model score 2.1486 model score 2.3137 model score 2.1627 model score 2.1186 model score 1.4353 model score 2.1540 model score 1.7653 model score 1.9760 model score 1.5464 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.9075 model score 1.0052 model score 1.9816 model score 1.8647 model score 2.0986 model score 2.2660 model score 2.1024 model score 1.8001 model score 2.2916 model score 2.2916 model score 0.7151 model score 0.9636 model score 0.9134 model score 1.3798 model score 0.9589 model score 0.8711 model score 0.9954 model score 0.9954 model score 1.4487 model score 1.7797 model score 1.5952 model score 1.6251 model score 1.6082 model score 1.0408 model score 1.2413 model score 1.2269 model score 1.0370 model score 1.8438 model score 0.9357 model score 1.1053 model score 1.8772 model score 1.7573 model score 2.0557 model score 1.2301 model score 1.1053 model score 1.8098 model score 1.6514 model score 1.9902 model score 0.8610 model score 0.8793 model score 0.8715 model score 0.9034 model score 2.1033 model score 1.0408 model score 1.2862 model score 1.2946 model score 1.2911 model score 1.2901 model score 1.2907 model score 0.9468 model score 0.9476 model score 0.9468 model score 0.9418 model score 0.9510 model score 2.0821 model score 0.7489 model score 1.1607 model score 0.9476 model score 0.9485 model score 0.7755 model score 0.9448 model score 0.8556 model score 1.3760 model score 0.7053 model score 1.5431 model score 0.8563 model score 0.8514 model score 0.8059 model score 0.8968 model score 0.8941 model score 0.7583 model score 0.8067 model score 0.8653 model score 0.7755 model score 0.7538 model score 0.8776 model score 1.0691 model score 0.9128 model score 0.8975 model score 1.6355 model score 2.0043 model score 0.8665 model score 0.9046 model score 2.4925 model score 2.3979 model score 2.3979 model score 0.8499 model score 0.8505 model score 0.8935 model score 2.4972 model score 0.8067 model score 0.8211 model score 0.7996 model score 0.7583 model score 0.8653 model score 1.7903 model score 1.7857 model score 1.7737 model score 1.7273 model score 1.8553 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 1.2798 model score 0.5041 model score 0.6138 model score 1.3178 model score 0.9460 model score 1.0691 model score 1.6900 model score 1.4744 model score 1.7467 model score 1.9570 model score 1.0395 model score 1.9708 model score 1.5178 model score 1.5165 model score 1.6780 model score 1.0857 model score 1.4875 model score 1.9874 model score 2.2449 model score 1.9928 model score 1.2771 model score 1.2771 model score 0.6425 model score 1.2771 model score 1.2771 model score 0.6766 model score 0.6790 model score 0.7213 model score 0.6902 model score 0.6941 model score 1.3739 model score 0.8916 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.1112 model score 2.2849 model score 2.0243 model score 2.2075 model score 2.2673 model score 2.1261 model score 1.7339 model score 1.6581 model score 1.8054 model score 2.0024 model score 0.8258 model score 1.9555 model score 1.8868 model score 1.5475 model score 1.4852 model score 0.6908 model score 0.7171 model score 1.8748 model score 1.5163 model score 1.3480 model score 0.8695 model score 1.3890 model score 1.2999 model score 0.7828 weight: 0.5463 eval: 1.5089 min: 0.5041 max: 2.4972 weight: 0.5932 eval: 1.4050 min: 0.5041 max: 2.4972 weight: 0.5895 eval: 1.4131 min: 0.5041 max: 2.4972 weight: 0.6167 eval: 1.3530 min: 0.5041 max: 2.4972 weight: 0.7509 eval: 1.0557 min: 0.5041 max: 2.4972 weight: 0.7581 eval: 1.0399 min: 0.5041 max: 2.4972 weight: 0.7528 eval: 1.0516 min: 0.5041 max: 2.4972 weight: 0.6554 eval: 1.2673 min: 0.5041 max: 2.4972 weight: 0.3870 eval: 1.8616 min: 0.5041 max: 2.4972 weight: 0.4073 eval: 1.8167 min: 0.5041 max: 2.4972 weight: 0.3884 eval: 1.8584 min: 0.5041 max: 2.4972 weight: 0.3857 eval: 1.8646 min: 0.5041 max: 2.4972 weight: 0.4172 eval: 1.7949 min: 0.5041 max: 2.4972 weight: 0.5823 eval: 1.4290 min: 0.5041 max: 2.4972 weight: 0.5834 eval: 1.4267 min: 0.5041 max: 2.4972 weight: 0.5834 eval: 1.4267 min: 0.5041 max: 2.4972 weight: 0.5858 eval: 1.4213 min: 0.5041 max: 2.4972 weight: 0.4666 eval: 1.6854 min: 0.5041 max: 2.4972 weight: 0.5021 eval: 1.6066 min: 0.5041 max: 2.4972 weight: 0.4370 eval: 1.7510 min: 0.5041 max: 2.4972 weight: 0.5910 eval: 1.4098 min: 0.5041 max: 2.4972 weight: 0.6129 eval: 1.3613 min: 0.5041 max: 2.4972 weight: 0.6820 eval: 1.2083 min: 0.5041 max: 2.4972 weight: 0.7515 eval: 1.0544 min: 0.5041 max: 2.4972 weight: 0.6262 eval: 1.3318 min: 0.5041 max: 2.4972 weight: 0.8513 eval: 0.8335 min: 0.5041 max: 2.4972 weight: 0.5444 eval: 1.5131 min: 0.5041 max: 2.4972 weight: 0.5476 eval: 1.5060 min: 0.5041 max: 2.4972 weight: 0.5312 eval: 1.5423 min: 0.5041 max: 2.4972 weight: 0.5229 eval: 1.5607 min: 0.5041 max: 2.4972 weight: 0.5433 eval: 1.5155 min: 0.5041 max: 2.4972 weight: 0.8468 eval: 0.8434 min: 0.5041 max: 2.4972 weight: 0.3584 eval: 1.9250 min: 0.5041 max: 2.4972 weight: 0.7317 eval: 1.0984 min: 0.5041 max: 2.4972 weight: 0.3582 eval: 1.9255 min: 0.5041 max: 2.4972 weight: 0.7159 eval: 1.1332 min: 0.5041 max: 2.4972 weight: 0.7048 eval: 1.1578 min: 0.5041 max: 2.4972 weight: 0.8665 eval: 0.7997 min: 0.5041 max: 2.4972 weight: 0.9398 eval: 0.6373 min: 0.5041 max: 2.4972 weight: 0.9276 eval: 0.6645 min: 0.5041 max: 2.4972 weight: 0.9072 eval: 0.7096 min: 0.5041 max: 2.4972 weight: 0.9301 eval: 0.6590 min: 0.5041 max: 2.4972 weight: 0.7429 eval: 1.0734 min: 0.5041 max: 2.4972 weight: 0.9046 eval: 0.7154 min: 0.5041 max: 2.4972 weight: 0.9055 eval: 0.7134 min: 0.5041 max: 2.4972 weight: 0.3743 eval: 1.8898 min: 0.5041 max: 2.4972 weight: 0.3974 eval: 1.8387 min: 0.5041 max: 2.4972 weight: 0.5305 eval: 1.5437 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.8190 eval: 0.9050 min: 0.5041 max: 2.4972 weight: 0.8815 eval: 0.7666 min: 0.5041 max: 2.4972 weight: 0.8785 eval: 0.7733 min: 0.5041 max: 2.4972 weight: 0.8757 eval: 0.7793 min: 0.5041 max: 2.4972 weight: 0.2354 eval: 2.1973 min: 0.5041 max: 2.4972 weight: 0.8505 eval: 0.8351 min: 0.5041 max: 2.4972 weight: 0.9301 eval: 0.6590 min: 0.5041 max: 2.4972 weight: 0.9276 eval: 0.6645 min: 0.5041 max: 2.4972 weight: 0.9072 eval: 0.7096 min: 0.5041 max: 2.4972 weight: 0.8665 eval: 0.7997 min: 0.5041 max: 2.4972 weight: 0.5813 eval: 1.4314 min: 0.5041 max: 2.4972 weight: 0.6741 eval: 1.2258 min: 0.5041 max: 2.4972 weight: 0.8513 eval: 0.8335 min: 0.5041 max: 2.4972 weight: 0.7783 eval: 0.9950 min: 0.5041 max: 2.4972 weight: 0.8492 eval: 0.8381 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.2110 eval: 2.2515 min: 0.5041 max: 2.4972 weight: 0.2574 eval: 2.1486 min: 0.5041 max: 2.4972 weight: 0.1829 eval: 2.3137 min: 0.5041 max: 2.4972 weight: 0.2511 eval: 2.1627 min: 0.5041 max: 2.4972 weight: 0.2710 eval: 2.1186 min: 0.5041 max: 2.4972 weight: 0.5795 eval: 1.4353 min: 0.5041 max: 2.4972 weight: 0.2550 eval: 2.1540 min: 0.5041 max: 2.4972 weight: 0.4305 eval: 1.7653 min: 0.5041 max: 2.4972 weight: 0.3354 eval: 1.9760 min: 0.5041 max: 2.4972 weight: 0.5293 eval: 1.5464 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.8178 eval: 0.9075 min: 0.5041 max: 2.4972 weight: 0.7737 eval: 1.0052 min: 0.5041 max: 2.4972 weight: 0.3328 eval: 1.9816 min: 0.5041 max: 2.4972 weight: 0.3856 eval: 1.8647 min: 0.5041 max: 2.4972 weight: 0.2800 eval: 2.0986 min: 0.5041 max: 2.4972 weight: 0.2044 eval: 2.2660 min: 0.5041 max: 2.4972 weight: 0.2783 eval: 2.1024 min: 0.5041 max: 2.4972 weight: 0.4148 eval: 1.8001 min: 0.5041 max: 2.4972 weight: 0.1929 eval: 2.2916 min: 0.5041 max: 2.4972 weight: 0.1929 eval: 2.2916 min: 0.5041 max: 2.4972 weight: 0.9047 eval: 0.7151 min: 0.5041 max: 2.4972 weight: 0.7925 eval: 0.9636 min: 0.5041 max: 2.4972 weight: 0.8152 eval: 0.9134 min: 0.5041 max: 2.4972 weight: 0.6046 eval: 1.3798 min: 0.5041 max: 2.4972 weight: 0.7946 eval: 0.9589 min: 0.5041 max: 2.4972 weight: 0.8343 eval: 0.8711 min: 0.5041 max: 2.4972 weight: 0.7782 eval: 0.9954 min: 0.5041 max: 2.4972 weight: 0.7782 eval: 0.9954 min: 0.5041 max: 2.4972 weight: 0.5735 eval: 1.4487 min: 0.5041 max: 2.4972 weight: 0.4240 eval: 1.7797 min: 0.5041 max: 2.4972 weight: 0.5073 eval: 1.5952 min: 0.5041 max: 2.4972 weight: 0.4938 eval: 1.6251 min: 0.5041 max: 2.4972 weight: 0.5014 eval: 1.6082 min: 0.5041 max: 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weight: 0.2779 eval: 2.1033 min: 0.5041 max: 2.4972 weight: 0.7576 eval: 1.0408 min: 0.5041 max: 2.4972 weight: 0.6469 eval: 1.2862 min: 0.5041 max: 2.4972 weight: 0.6431 eval: 1.2946 min: 0.5041 max: 2.4972 weight: 0.6446 eval: 1.2911 min: 0.5041 max: 2.4972 weight: 0.6451 eval: 1.2901 min: 0.5041 max: 2.4972 weight: 0.6448 eval: 1.2907 min: 0.5041 max: 2.4972 weight: 0.8001 eval: 0.9468 min: 0.5041 max: 2.4972 weight: 0.7998 eval: 0.9476 min: 0.5041 max: 2.4972 weight: 0.8001 eval: 0.9468 min: 0.5041 max: 2.4972 weight: 0.8024 eval: 0.9418 min: 0.5041 max: 2.4972 weight: 0.7982 eval: 0.9510 min: 0.5041 max: 2.4972 weight: 0.2875 eval: 2.0821 min: 0.5041 max: 2.4972 weight: 0.8895 eval: 0.7489 min: 0.5041 max: 2.4972 weight: 0.7035 eval: 1.1607 min: 0.5041 max: 2.4972 weight: 0.7998 eval: 0.9476 min: 0.5041 max: 2.4972 weight: 0.7993 eval: 0.9485 min: 0.5041 max: 2.4972 weight: 0.8774 eval: 0.7755 min: 0.5041 max: 2.4972 weight: 0.8010 eval: 0.9448 min: 0.5041 max: 2.4972 weight: 0.8413 eval: 0.8556 min: 0.5041 max: 2.4972 weight: 0.6063 eval: 1.3760 min: 0.5041 max: 2.4972 weight: 0.9092 eval: 0.7053 min: 0.5041 max: 2.4972 weight: 0.5308 eval: 1.5431 min: 0.5041 max: 2.4972 weight: 0.8410 eval: 0.8563 min: 0.5041 max: 2.4972 weight: 0.8432 eval: 0.8514 min: 0.5041 max: 2.4972 weight: 0.8637 eval: 0.8059 min: 0.5041 max: 2.4972 weight: 0.8227 eval: 0.8968 min: 0.5041 max: 2.4972 weight: 0.8239 eval: 0.8941 min: 0.5041 max: 2.4972 weight: 0.8852 eval: 0.7583 min: 0.5041 max: 2.4972 weight: 0.8634 eval: 0.8067 min: 0.5041 max: 2.4972 weight: 0.8369 eval: 0.8653 min: 0.5041 max: 2.4972 weight: 0.8774 eval: 0.7755 min: 0.5041 max: 2.4972 weight: 0.8872 eval: 0.7538 min: 0.5041 max: 2.4972 weight: 0.8313 eval: 0.8776 min: 0.5041 max: 2.4972 weight: 0.7449 eval: 1.0691 min: 0.5041 max: 2.4972 weight: 0.8155 eval: 0.9128 min: 0.5041 max: 2.4972 weight: 0.8224 eval: 0.8975 min: 0.5041 max: 2.4972 weight: 0.4891 eval: 1.6355 min: 0.5041 max: 2.4972 weight: 0.3226 eval: 2.0043 min: 0.5041 max: 2.4972 weight: 0.8364 eval: 0.8665 min: 0.5041 max: 2.4972 weight: 0.8192 eval: 0.9046 min: 0.5041 max: 2.4972 weight: 0.1021 eval: 2.4925 min: 0.5041 max: 2.4972 weight: 0.1449 eval: 2.3979 min: 0.5041 max: 2.4972 weight: 0.1449 eval: 2.3979 min: 0.5041 max: 2.4972 weight: 0.8439 eval: 0.8499 min: 0.5041 max: 2.4972 weight: 0.8436 eval: 0.8505 min: 0.5041 max: 2.4972 weight: 0.8242 eval: 0.8935 min: 0.5041 max: 2.4972 weight: 0.1000 eval: 2.4972 min: 0.5041 max: 2.4972 weight: 0.8634 eval: 0.8067 min: 0.5041 max: 2.4972 weight: 0.8569 eval: 0.8211 min: 0.5041 max: 2.4972 weight: 0.8665 eval: 0.7996 min: 0.5041 max: 2.4972 weight: 0.8852 eval: 0.7583 min: 0.5041 max: 2.4972 weight: 0.8369 eval: 0.8653 min: 0.5041 max: 2.4972 weight: 0.4192 eval: 1.7903 min: 0.5041 max: 2.4972 weight: 0.4213 eval: 1.7857 min: 0.5041 max: 2.4972 weight: 0.4267 eval: 1.7737 min: 0.5041 max: 2.4972 weight: 0.4477 eval: 1.7273 min: 0.5041 max: 2.4972 weight: 0.3899 eval: 1.8553 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6497 eval: 1.2798 min: 0.5041 max: 2.4972 weight: 1.0000 eval: 0.5041 min: 0.5041 max: 2.4972 weight: 0.9505 eval: 0.6138 min: 0.5041 max: 2.4972 weight: 0.6326 eval: 1.3178 min: 0.5041 max: 2.4972 weight: 0.8004 eval: 0.9460 min: 0.5041 max: 2.4972 weight: 0.7449 eval: 1.0691 min: 0.5041 max: 2.4972 weight: 0.4645 eval: 1.6900 min: 0.5041 max: 2.4972 weight: 0.5618 eval: 1.4744 min: 0.5041 max: 2.4972 weight: 0.4389 eval: 1.7467 min: 0.5041 max: 2.4972 weight: 0.3440 eval: 1.9570 min: 0.5041 max: 2.4972 weight: 0.7583 eval: 1.0395 min: 0.5041 max: 2.4972 weight: 0.3377 eval: 1.9708 min: 0.5041 max: 2.4972 weight: 0.5423 eval: 1.5178 min: 0.5041 max: 2.4972 weight: 0.5428 eval: 1.5165 min: 0.5041 max: 2.4972 weight: 0.4699 eval: 1.6780 min: 0.5041 max: 2.4972 weight: 0.7374 eval: 1.0857 min: 0.5041 max: 2.4972 weight: 0.5559 eval: 1.4875 min: 0.5041 max: 2.4972 weight: 0.3302 eval: 1.9874 min: 0.5041 max: 2.4972 weight: 0.2140 eval: 2.2449 min: 0.5041 max: 2.4972 weight: 0.3278 eval: 1.9928 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.9375 eval: 0.6425 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.9221 eval: 0.6766 min: 0.5041 max: 2.4972 weight: 0.9210 eval: 0.6790 min: 0.5041 max: 2.4972 weight: 0.9019 eval: 0.7213 min: 0.5041 max: 2.4972 weight: 0.9160 eval: 0.6902 min: 0.5041 max: 2.4972 weight: 0.9142 eval: 0.6941 min: 0.5041 max: 2.4972 weight: 0.6072 eval: 1.3739 min: 0.5041 max: 2.4972 weight: 0.8250 eval: 0.8916 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.6510 eval: 1.2771 min: 0.5041 max: 2.4972 weight: 0.2743 eval: 2.1112 min: 0.5041 max: 2.4972 weight: 0.1959 eval: 2.2849 min: 0.5041 max: 2.4972 weight: 0.3136 eval: 2.0243 min: 0.5041 max: 2.4972 weight: 0.2308 eval: 2.2075 min: 0.5041 max: 2.4972 weight: 0.2038 eval: 2.2673 min: 0.5041 max: 2.4972 weight: 0.2676 eval: 2.1261 min: 0.5041 max: 2.4972 weight: 0.4447 eval: 1.7339 min: 0.5041 max: 2.4972 weight: 0.4789 eval: 1.6581 min: 0.5041 max: 2.4972 weight: 0.4124 eval: 1.8054 min: 0.5041 max: 2.4972 weight: 0.3234 eval: 2.0024 min: 0.5041 max: 2.4972 weight: 0.8547 eval: 0.8258 min: 0.5041 max: 2.4972 weight: 0.3446 eval: 1.9555 min: 0.5041 max: 2.4972 weight: 0.3756 eval: 1.8868 min: 0.5041 max: 2.4972 weight: 0.5288 eval: 1.5475 min: 0.5041 max: 2.4972 weight: 0.5570 eval: 1.4852 min: 0.5041 max: 2.4972 weight: 0.9157 eval: 0.6908 min: 0.5041 max: 2.4972 weight: 0.9038 eval: 0.7171 min: 0.5041 max: 2.4972 weight: 0.3811 eval: 1.8748 min: 0.5041 max: 2.4972 weight: 0.5429 eval: 1.5163 min: 0.5041 max: 2.4972 weight: 0.6189 eval: 1.3480 min: 0.5041 max: 2.4972 weight: 0.8350 eval: 0.8695 min: 0.5041 max: 2.4972 weight: 0.6004 eval: 1.3890 min: 0.5041 max: 2.4972 weight: 0.6407 eval: 1.2999 min: 0.5041 max: 2.4972 weight: 0.8742 eval: 0.7828 min: 0.5041 max: 2.4972 Adding 21783 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: -510.5016, CN propb: -510.5016 weights: 0.2443 constraints: 597 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 597 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 597 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 21186 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 21186 # 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 21783 # command: