# 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/T0353/ # command:# Making conformation for sequence T0353 numbered 1 through 85 Created new target T0353 from T0353.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0353/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0353//projects/compbio/experiments/protein-predict/casp7/T0353/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0353//projects/compbio/experiments/protein-predict/casp7/T0353/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0353/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0353/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((T0353)T24.CB, (T0353)F35.CB) [> 3.9724 = 6.6206 < 8.6068] w=1.0000 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)F20.CB) [> 4.2156 = 7.0261 < 9.1339] w=0.9939 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)F23.CB) [> 3.7641 = 6.2735 < 8.1555] w=0.9575 to align # Constraint # added constraint: constraint((T0353)V10.CB, (T0353)F20.CB) [> 3.4970 = 5.8283 < 7.5767] w=0.9210 to align # Constraint # added constraint: constraint((T0353)V10.CB, (T0353)H19.CB) [> 4.3074 = 7.1789 < 9.3326] w=0.9195 to align # Constraint # added constraint: constraint((T0353)I68.CB, (T0353)I78.CB) [> 3.9711 = 6.6184 < 8.6040] w=0.9086 to align # Constraint # added constraint: constraint((T0353)V22.CB, (T0353)F35.CB) [> 4.0349 = 6.7249 < 8.7423] w=0.8565 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)T24.CB) [> 3.9625 = 6.6042 < 8.5855] w=0.8086 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)F20.CB) [> 3.5110 = 5.8517 < 7.6072] w=0.7713 to align # Constraint # added constraint: constraint((T0353)H4.CB, (T0353)D25.CB) [> 3.3889 = 5.6481 < 7.3425] w=0.7217 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)D21.CB) [> 2.9136 = 4.8561 < 6.3129] w=0.7191 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)V22.CB) [> 4.0376 = 6.7294 < 8.7481] w=0.7100 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)D21.CB) [> 4.0687 = 6.7812 < 8.8156] w=0.6983 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)V22.CB) [> 4.4467 = 7.4111 < 9.6344] w=0.6469 to align # Constraint # added constraint: constraint((T0353)G44.CA, (T0353)S60.CB) [> 3.8579 = 6.4298 < 8.3587] w=0.6260 to align # Constraint # added constraint: constraint((T0353)F23.CB, (T0353)I43.CB) [> 3.6018 = 6.0030 < 7.8039] w=0.6144 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)T24.CB) [> 4.1431 = 6.9051 < 8.9767] w=0.5927 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)F23.CB) [> 3.2582 = 5.4303 < 7.0594] w=0.5896 to align # Constraint # added constraint: constraint((T0353)A32.CB, (T0353)N74.CB) [> 3.8908 = 6.4847 < 8.4301] w=0.5853 to align # Constraint # added constraint: constraint((T0353)F23.CB, (T0353)A36.CB) [> 3.9114 = 6.5190 < 8.4747] w=0.5731 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)V22.CB) [> 3.6001 = 6.0002 < 7.8002] w=0.5701 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)V22.CB) [> 3.3956 = 5.6593 < 7.3571] w=0.5635 to align # Constraint # added constraint: constraint((T0353)V22.CB, (T0353)A36.CB) [> 3.5487 = 5.9145 < 7.6888] w=0.5631 to align # Constraint # added constraint: constraint((T0353)V22.CB, (T0353)A32.CB) [> 3.6155 = 6.0259 < 7.8336] w=0.5623 to align # Constraint # added constraint: constraint((T0353)H4.CB, (T0353)T24.CB) [> 3.8384 = 6.3974 < 8.3166] w=0.5106 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)D25.CB) [> 3.8922 = 6.4870 < 8.4331] w=0.5081 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)V22.CB) [> 3.7560 = 6.2601 < 8.1381] w=0.5045 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)F23.CB) [> 4.3421 = 7.2369 < 9.4079] w=0.5011 to align # Constraint # added constraint: constraint((T0353)C55.CB, (T0353)V67.CB) [> 3.8418 = 6.4030 < 8.3239] w=0.5007 to align # Constraint # added constraint: constraint((T0353)K11.CB, (T0353)F20.CB) [> 3.3515 = 5.5859 < 7.2617] w=0.4965 to align # Constraint # added constraint: constraint((T0353)V22.CB, (T0353)W39.CB) [> 3.5069 = 5.8449 < 7.5983] w=0.4960 to align # Constraint # added constraint: constraint((T0353)K13.CB, (T0353)A63.CB) [> 3.7187 = 6.1978 < 8.0571] w=0.4803 to align # Constraint # added constraint: constraint((T0353)G15.CA, (T0353)P64.CB) [> 4.2839 = 7.1398 < 9.2817] w=0.4803 to align # Constraint # added constraint: constraint((T0353)H16.CB, (T0353)Q61.CB) [> 3.2008 = 5.3346 < 6.9350] w=0.4803 to align # Constraint # added constraint: constraint((T0353)F23.CB, (T0353)S60.CB) [> 3.2777 = 5.4628 < 7.1017] w=0.4803 to align # Constraint # added constraint: constraint((T0353)F23.CB, (T0353)V67.CB) [> 3.7666 = 6.2777 < 8.1610] w=0.4803 to align # Constraint # added constraint: constraint((T0353)I43.CB, (T0353)S60.CB) [> 3.6227 = 6.0378 < 7.8492] w=0.4803 to align # Constraint # added constraint: constraint((T0353)I43.CB, (T0353)A70.CB) [> 3.7692 = 6.2821 < 8.1667] w=0.4803 to align # Constraint # added constraint: constraint((T0353)I43.CB, (T0353)I71.CB) [> 4.7308 = 7.8847 < 10.2501] w=0.4803 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)M18.CB) [> 4.3534 = 7.2557 < 9.4324] w=0.4606 to align # Constraint # added constraint: constraint((T0353)F23.CB, (T0353)L40.CB) [> 3.9574 = 6.5956 < 8.5743] w=0.4570 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)T24.CB) [> 4.0207 = 6.7012 < 8.7116] w=0.4439 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)D25.CB) [> 4.0094 = 6.6823 < 8.6870] w=0.4299 to align # Constraint # added constraint: constraint((T0353)T24.CB, (T0353)A36.CB) [> 3.7608 = 6.2680 < 8.1484] w=0.4298 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)F23.CB) [> 3.0758 = 5.1263 < 6.6642] w=0.4243 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)H19.CB) [> 3.4131 = 5.6885 < 7.3951] w=0.4236 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)M18.CB) [> 3.5858 = 5.9763 < 7.7692] w=0.4236 to align # Constraint # added constraint: constraint((T0353)K37.CB, (T0353)G47.CA) [> 3.8672 = 6.4454 < 8.3790] w=0.4114 to align # Constraint # added constraint: constraint((T0353)L40.CB, (T0353)V50.CB) [> 4.3809 = 7.3015 < 9.4919] w=0.4114 to align # Constraint # added constraint: constraint((T0353)C58.CB, (T0353)V67.CB) [> 3.7573 = 6.2621 < 8.1408] w=0.4103 to align # Constraint # added constraint: constraint((T0353)A12.CB, (T0353)A63.CB) [> 4.3443 = 7.2404 < 9.4125] w=0.3989 to align # Constraint # added constraint: constraint((T0353)V17.CB, (T0353)K62.CB) [> 3.4719 = 5.7866 < 7.5225] w=0.3989 to align # Constraint # added constraint: constraint((T0353)V17.CB, (T0353)A63.CB) [> 4.0517 = 6.7527 < 8.7786] w=0.3989 to align # Constraint # added constraint: constraint((T0353)V17.CB, (T0353)V67.CB) [> 2.9966 = 4.9944 < 6.4927] w=0.3989 to align # Constraint # added constraint: constraint((T0353)K11.CB, (T0353)D21.CB) [> 4.4883 = 7.4804 < 9.7246] w=0.3670 to align # Constraint # added constraint: constraint((T0353)V10.CB, (T0353)D21.CB) [> 2.8826 = 4.8044 < 6.2457] w=0.3624 to align # Constraint # added constraint: constraint((T0353)D21.CB, (T0353)W39.CB) [> 4.5541 = 7.5901 < 9.8672] w=0.3612 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)F20.CB) [> 4.1351 = 6.8919 < 8.9594] w=0.3474 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)D21.CB) [> 3.4539 = 5.7565 < 7.4834] w=0.3470 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)H19.CB) [> 4.2553 = 7.0922 < 9.2199] w=0.3422 to align # Constraint # added constraint: constraint((T0353)T24.CB, (T0353)L40.CB) [> 3.3624 = 5.6041 < 7.2853] w=0.3230 to align # Constraint # added constraint: constraint((T0353)D29.CB, (T0353)L40.CB) [> 3.9664 = 6.6106 < 8.5938] w=0.3230 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)I71.CB) [> 4.1352 = 6.8920 < 8.9595] w=0.3202 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)Y76.CB) [> 3.3722 = 5.6204 < 7.3065] w=0.3202 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)M18.CB) [> 3.8692 = 6.4487 < 8.3833] w=0.3202 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)V67.CB) [> 3.5566 = 5.9277 < 7.7061] w=0.3202 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)I68.CB) [> 4.7103 = 7.8505 < 10.2056] w=0.3202 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)I71.CB) [> 4.5880 = 7.6467 < 9.9407] w=0.3202 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)M18.CB) [> 3.6102 = 6.0170 < 7.8221] w=0.3202 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)V17.CB) [> 3.8811 = 6.4685 < 8.4090] w=0.3202 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)V17.CB) [> 2.8906 = 4.8177 < 6.2630] w=0.3202 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)A63.CB) [> 4.4226 = 7.3710 < 9.5822] w=0.3202 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)P64.CB) [> 2.7762 = 4.6270 < 6.0152] w=0.3202 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)V17.CB) [> 3.8024 = 6.3373 < 8.2384] w=0.3175 to align # Constraint # added constraint: constraint((T0353)E54.CB, (T0353)V67.CB) [> 4.1888 = 6.9814 < 9.0758] w=0.2949 to align # Constraint # added constraint: constraint((T0353)H4.CB, (T0353)V22.CB) [> 4.5617 = 7.6028 < 9.8836] w=0.2865 to align # Constraint # added constraint: constraint((T0353)C55.CB, (T0353)E66.CB) [> 4.2575 = 7.0959 < 9.2247] w=0.2842 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)V26.CB) [> 3.6503 = 6.0839 < 7.9091] w=0.2840 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)D21.CB) [> 4.2546 = 7.0909 < 9.2182] w=0.2752 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)D21.CB) [> 3.9732 = 6.6220 < 8.6086] w=0.2748 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)A32.CB) [> 3.0128 = 5.0213 < 6.5277] w=0.2693 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)A32.CB) [> 3.4252 = 5.7087 < 7.4212] w=0.2693 to align # Constraint # added constraint: constraint((T0353)D21.CB, (T0353)A36.CB) [> 4.0032 = 6.6719 < 8.6735] w=0.2689 to align # Constraint # added constraint: constraint((T0353)A32.CB, (T0353)E54.CB) [> 4.6350 = 7.7250 < 10.0424] w=0.2546 to align # Constraint # added constraint: constraint((T0353)A32.CB, (T0353)C55.CB) [> 3.0057 = 5.0095 < 6.5123] w=0.2546 to align # Constraint # added constraint: constraint((T0353)A32.CB, (T0353)C58.CB) [> 4.5742 = 7.6237 < 9.9108] w=0.2546 to align # Constraint # added constraint: constraint((T0353)I33.CB, (T0353)C55.CB) [> 3.7818 = 6.3030 < 8.1939] w=0.2546 to align # Constraint # added constraint: constraint((T0353)A36.CB, (T0353)G47.CA) [> 3.6879 = 6.1465 < 7.9904] w=0.2546 to align # Constraint # added constraint: constraint((T0353)A36.CB, (T0353)V50.CB) [> 3.4927 = 5.8212 < 7.5676] w=0.2546 to align # Constraint # added constraint: constraint((T0353)A36.CB, (T0353)E54.CB) [> 4.5795 = 7.6326 < 9.9224] w=0.2546 to align # Constraint # added constraint: constraint((T0353)T24.CB, (T0353)H59.CB) [> 3.8521 = 6.4201 < 8.3462] w=0.2450 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)M18.CB) [> 2.7212 = 4.5353 < 5.8959] w=0.2415 to align # Constraint # added constraint: constraint((T0353)D25.CB, (T0353)F57.CB) [> 4.2103 = 7.0172 < 9.1224] w=0.2415 to align # Constraint # added constraint: constraint((T0353)V26.CB, (T0353)F57.CB) [> 3.7311 = 6.2185 < 8.0841] w=0.2415 to align # Constraint # added constraint: constraint((T0353)M18.CB, (T0353)S60.CB) [> 4.1809 = 6.9681 < 9.0585] w=0.2388 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)F23.CB) [> 4.5866 = 7.6444 < 9.9377] w=0.2303 to align # Constraint # added constraint: constraint((T0353)C58.CB, (T0353)I71.CB) [> 4.7603 = 7.9338 < 10.3139] w=0.2239 to align # Constraint # added constraint: constraint((T0353)C58.CB, (T0353)A70.CB) [> 3.5734 = 5.9557 < 7.7424] w=0.2239 to align # Constraint # added constraint: constraint((T0353)M18.CB, (T0353)W39.CB) [> 4.7982 = 7.9970 < 10.3962] w=0.2187 to align # Constraint # added constraint: constraint((T0353)R56.CB, (T0353)E66.CB) [> 4.2912 = 7.1520 < 9.2976] w=0.2187 to align # Constraint # added constraint: constraint((T0353)R56.CB, (T0353)A70.CB) [> 2.8517 = 4.7528 < 6.1787] w=0.2187 to align # Constraint # added constraint: constraint((T0353)V67.CB, (T0353)I78.CB) [> 4.3929 = 7.3214 < 9.5179] w=0.2187 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)F23.CB) [> 4.3903 = 7.3171 < 9.5123] w=0.2180 to align # Constraint # added constraint: constraint((T0353)M1.CB, (T0353)R27.CB) [> 3.3722 = 5.6203 < 7.3064] w=0.2173 to align # Constraint # added constraint: constraint((T0353)Q2.CB, (T0353)V26.CB) [> 3.8476 = 6.4127 < 8.3365] w=0.2166 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)F35.CB) [> 3.7896 = 6.3159 < 8.2107] w=0.2166 to align # Constraint # added constraint: constraint((T0353)S41.CB, (T0353)V50.CB) [> 4.4265 = 7.3775 < 9.5907] w=0.2165 to align # Constraint # added constraint: constraint((T0353)F57.CB, (T0353)I71.CB) [> 4.0092 = 6.6820 < 8.6865] w=0.2165 to align # Constraint # added constraint: constraint((T0353)F20.CB, (T0353)C55.CB) [> 4.5080 = 7.5133 < 9.7673] w=0.2152 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)T24.CB) [> 4.6438 = 7.7396 < 10.0615] w=0.2114 to align # Constraint # added constraint: constraint((T0353)D21.CB, (T0353)F35.CB) [> 4.5235 = 7.5392 < 9.8009] w=0.2083 to align # Constraint # added constraint: constraint((T0353)H4.CB, (T0353)F23.CB) [> 3.8045 = 6.3408 < 8.2430] w=0.2078 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)H19.CB) [> 4.1047 = 6.8412 < 8.8936] w=0.2074 to align # Constraint # added constraint: constraint((T0353)K11.CB, (T0353)A32.CB) [> 3.5347 = 5.8911 < 7.6584] w=0.2062 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)A32.CB) [> 3.8762 = 6.4603 < 8.3983] w=0.2062 to align # Constraint # added constraint: constraint((T0353)V50.CB, (T0353)A63.CB) [> 3.0394 = 5.0657 < 6.5855] w=0.2058 to align # Constraint # added constraint: constraint((T0353)V50.CB, (T0353)S60.CB) [> 3.9539 = 6.5898 < 8.5668] w=0.2058 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)A36.CB) [> 2.9191 = 4.8652 < 6.3248] w=0.2023 to align # Constraint # added constraint: constraint((T0353)T8.CB, (T0353)A36.CB) [> 4.4537 = 7.4228 < 9.6496] w=0.2023 to align # Constraint # added constraint: constraint((T0353)V10.CB, (T0353)L40.CB) [> 4.1372 = 6.8953 < 8.9638] w=0.2023 to align # Constraint # added constraint: constraint((T0353)F20.CB, (T0353)A36.CB) [> 3.2048 = 5.3413 < 6.9436] w=0.2023 to align # Constraint # added constraint: constraint((T0353)V22.CB, (T0353)I33.CB) [> 4.4887 = 7.4811 < 9.7255] w=0.2019 to align # Constraint # added constraint: constraint((T0353)F20.CB, (T0353)A32.CB) [> 3.9936 = 6.6561 < 8.6529] w=0.2015 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)A36.CB) [> 4.2273 = 7.0454 < 9.1590] w=0.2011 to align # Constraint # added constraint: constraint((T0353)Y9.CB, (T0353)W39.CB) [> 4.0396 = 6.7327 < 8.7525] w=0.2011 to align # Constraint # added constraint: constraint((T0353)K37.CB, (T0353)N74.CB) [> 4.5250 = 7.5416 < 9.8041] w=0.2011 to align # Constraint # added constraint: constraint((T0353)I68.CB, (T0353)K80.CB) [> 4.6384 = 7.7307 < 10.0499] w=0.1888 to align # Constraint # added constraint: constraint((T0353)S42.CB, (T0353)F57.CB) [> 4.3905 = 7.3174 < 9.5126] w=0.1864 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)I71.CB) [> 4.6102 = 7.6837 < 9.9889] w=0.1601 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)H16.CB) [> 3.7157 = 6.1928 < 8.0506] w=0.1504 to align # Constraint # added constraint: constraint((T0353)I3.CB, (T0353)D28.CB) [> 2.6335 = 4.3892 < 5.7060] w=0.1458 to align # Constraint # added constraint: constraint((T0353)M1.CB, (T0353)V26.CB) [> 4.0217 = 6.7028 < 8.7137] w=0.1444 to align # Constraint # added constraint: constraint((T0353)M1.CB, (T0353)K31.CB) [> 3.3356 = 5.5594 < 7.2272] w=0.1444 to align # Constraint # added constraint: constraint((T0353)H16.CB, (T0353)A32.CB) [> 4.7263 = 7.8771 < 10.2402] w=0.1443 to align # Constraint # added constraint: constraint((T0353)G15.CA, (T0353)D25.CB) [> 4.0545 = 6.7575 < 8.7848] w=0.1443 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)F20.CB) [> 3.5291 = 5.8818 < 7.6464] w=0.1403 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)F20.CB) [> 3.8167 = 6.3611 < 8.2695] w=0.1403 to align # Constraint # added constraint: constraint((T0353)H4.CB, (T0353)A32.CB) [> 2.0816 = 3.4694 < 4.5102] w=0.1349 to align # Constraint # added constraint: constraint((T0353)H4.CB, (T0353)I33.CB) [> 4.7255 = 7.8759 < 10.2387] w=0.1349 to align # Constraint # added constraint: constraint((T0353)M18.CB, (T0353)L40.CB) [> 4.7267 = 7.8778 < 10.2411] w=0.1349 to align # Constraint # added constraint: constraint((T0353)F23.CB, (T0353)A32.CB) [> 4.1441 = 6.9069 < 8.9790] w=0.1349 to align # Constraint # added constraint: constraint((T0353)H19.CB, (T0353)A36.CB) [> 3.4538 = 5.7563 < 7.4832] w=0.1344 to align # Constraint # added constraint: constraint((T0353)H19.CB, (T0353)A32.CB) [> 3.1231 = 5.2052 < 6.7667] w=0.1340 to align # Constraint # added constraint: constraint((T0353)T24.CB, (T0353)C58.CB) [> 3.9296 = 6.5493 < 8.5141] w=0.0849 to align # Constraint # added constraint: constraint((T0353)V5.CB, (T0353)H19.CB) [> 3.6115 = 6.0191 < 7.8249] w=0.0814 to align # Constraint # added constraint: constraint((T0353)Y6.CB, (T0353)H19.CB) [> 2.8694 = 4.7823 < 6.2170] w=0.0814 to align # Constraint # added constraint: constraint((T0353)H19.CB, (T0353)H59.CB) [> 3.2377 = 5.3962 < 7.0151] w=0.0814 to align # Constraint # added constraint: constraint((T0353)H4.CB, (T0353)M18.CB) [> 4.7433 = 7.9054 < 10.2771] w=0.0787 to align # Constraint # added constraint: constraint((T0353)V22.CB, (T0353)H59.CB) [> 3.3997 = 5.6663 < 7.3661] w=0.0787 to align # Constraint # added constraint: constraint((T0353)V10.CB, (T0353)D25.CB) [> 2.8674 = 4.7790 < 6.2127] w=0.0722 to align # Constraint # added constraint: constraint((T0353)F20.CB, (T0353)W39.CB) [> 4.6069 = 7.6781 < 9.9815] w=0.0674 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)A32.CB) [> 3.0296 = 5.0494 < 6.5642] w=0.0670 to align # Constraint # added constraint: constraint((T0353)D7.CB, (T0353)A36.CB) [> 3.2155 = 5.3591 < 6.9668] w=0.0670 to align # Constraint # added constraint: constraint((T0353)H19.CB, (T0353)I33.CB) [> 4.6757 = 7.7928 < 10.1307] w=0.0670 to align # Constraint # added constraint: constraint((T0353)V10.CB, (T0353)V22.CB) [> 3.1755 = 5.2925 < 6.8803] w=0.0085 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0353/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0353/decoys/ # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS5 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 51 # 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 78 # 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 76 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 62 # 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 78 # 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 76 # 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 7 # 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 77 # 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 76 # 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 62 # 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 # 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 84 # 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 84 # 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 84 # 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 84 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS5 # ReadConformPDB reading from PDB file servers/CIRCLE_TS1.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS1 # ReadConformPDB reading from PDB file servers/CIRCLE_TS2.pdb.gz looking for model 1 # Found a chain break before 74 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS2 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 83 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 80 # 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 T0353 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 # Found a chain break before 83 # copying to AlignedFragments data structure # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # Found a chain break before 68 # copying to AlignedFragments data structure # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # Found a chain break before 77 # copying to AlignedFragments data structure # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 52 # 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 55 # 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 42 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 62 # 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 T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE1_AL5 # ReadConformPDB reading from PDB file servers/FORTE2_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # 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 36 # 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 78 # 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 15 # 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 84 # 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 80 # 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 # Found a chain break before 51 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS4 # ReadConformPDB reading from PDB file servers/FUGMOD_TS5.pdb.gz looking for model 1 # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 Skipped atom 74, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 76, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 78, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 80, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 90, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 92, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 94, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 96, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 202, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 204, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 206, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 208, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation FUGUE_AL2 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 Skipped atom 21, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 22, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 23, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 24, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 61, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 62, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 63, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 64, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 229, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 230, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 231, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz Skipped atom 232, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL4.pdb.gz # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation FUGUE_AL4 # ReadConformPDB reading from PDB file servers/FUGUE_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 77 # 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 83 # 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 72 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS4 # ReadConformPDB reading from PDB file servers/FUNCTION_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # 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 74 # copying to AlignedFragments data structure # naming current conformation Frankenstein_TS1 # ReadConformPDB reading from PDB file servers/Frankenstein_TS2.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS2 # ReadConformPDB reading from PDB file servers/Frankenstein_TS3.pdb.gz looking for model 1 # naming current conformation Frankenstein_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 19 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 73 # 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 62 # 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 62 # 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 T0353 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 T0353 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 T0353 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 T0353 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 T0353 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 # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/MIG_FROST_AL1.pdb.gz looking for model 1 Skipped atom 134, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 136, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 138, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz Skipped atom 140, because occupancy 1.000 <= existing 1.000 in servers/MIG_FROST_AL1.pdb.gz # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation MIG_FROST_AL1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 62 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # 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 75 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # 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 61 # 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 49 # 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 25 # 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 21 # 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 84 # 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 84 # 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 84 # 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 81 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS4 # ReadConformPDB reading from PDB file servers/MetaTasser_TS5.pdb.gz looking for model 1 # Found a chain break before 84 # copying to AlignedFragments data structure # naming current conformation MetaTasser_TS5 # ReadConformPDB reading from PDB file servers/NN_PUT_lab_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation NN_PUT_lab_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS1 # ReadConformPDB reading from PDB file servers/POMYSL_TS2.pdb.gz looking for model 1 # Found a chain break before 39 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS2 # ReadConformPDB reading from PDB file servers/POMYSL_TS3.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS3 # ReadConformPDB reading from PDB file servers/POMYSL_TS4.pdb.gz looking for model 1 # Found a chain break before 43 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS4 # ReadConformPDB reading from PDB file servers/POMYSL_TS5.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # Found a chain break before 36 # 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 76 # 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 79 # copying to AlignedFragments data structure # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO_TS1.pdb.gz looking for model 1 # Found a chain break before 36 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 78 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # 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 82 # 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 18 # 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 49 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 48 # 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 22 # 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 T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 58 # 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 15 # 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 9 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS4 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS5.pdb.gz looking for model 1 # Found a chain break before 79 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # Found a chain break before 48 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS1 # ReadConformPDB reading from PDB file servers/ROBETTA_TS2.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS2 # ReadConformPDB reading from PDB file servers/ROBETTA_TS3.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS5 # ReadConformPDB reading from PDB file servers/SAM-T02_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 75 # 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 T0353 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 T0353 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 T0353 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 T0353 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 62 # 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 55 # 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 47 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 22 # 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 62 # copying to AlignedFragments data structure # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 56 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 75 # copying to AlignedFragments data structure # naming current conformation SP4_TS5 # ReadConformPDB reading from PDB file servers/SPARKS2_TS1.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 53 # 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 54 # 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 T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS2 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS3 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS5 # ReadConformPDB reading from PDB file servers/UNI-EID_expm_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0353)R56.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)F57.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_expm_TS1 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL4 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL5 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 79 # 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 84 # 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 78 # 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 76 # 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 83 # 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 83 # 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 T0353 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 T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # Found a chain break before 52 # 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 21 # 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 61 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 81 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0353)M81.O and (T0353)E82.N only 0.000 apart, marking (T0353)E82.N as missing # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS2 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS3.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS3 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS4.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS5.pdb.gz looking for model 1 # Found a chain break before 82 # copying to AlignedFragments data structure # naming current conformation karypis.srv.4_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # Found a chain break before 61 # copying to AlignedFragments data structure # naming current conformation karypis.srv_TS5 # ReadConformPDB reading from PDB file servers/keasar-server_TS1.pdb.gz looking for model 1 # naming current conformation keasar-server_TS1 # ReadConformPDB reading from PDB file servers/keasar-server_TS2.pdb.gz looking for model 1 # naming current conformation keasar-server_TS2 # ReadConformPDB reading from PDB file servers/keasar-server_TS3.pdb.gz looking for model 1 # naming current conformation keasar-server_TS3 # ReadConformPDB reading from PDB file servers/keasar-server_TS4.pdb.gz looking for model 1 # naming current conformation keasar-server_TS4 # ReadConformPDB reading from PDB file servers/keasar-server_TS5.pdb.gz looking for model 1 # naming current conformation keasar-server_TS5 # ReadConformPDB reading from PDB file servers/mGen-3D_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation mGen-3D_TS1 # ReadConformPDB reading from PDB file servers/nFOLD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation nFOLD_TS2 # ReadConformPDB reading from PDB file servers/nFOLD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation nFOLD_TS4 # ReadConformPDB reading from PDB file servers/nFOLD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0353 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/panther2_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0353)H16.N and (T0353)V17.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)V17.CA only 0.000 apart, marking (T0353)V17.CA as missing WARNING: atoms too close: (T0353)H16.O and (T0353)V17.O only 0.000 apart, marking (T0353)V17.O as missing WARNING: atoms too close: (T0353)H16.C and (T0353)V17.C only 0.000 apart, marking (T0353)V17.C as missing WARNING: atoms too close: (T0353)V17.N and (T0353)M18.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)M18.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)M18.CA only 0.000 apart, marking (T0353)M18.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)M18.CA only 0.000 apart, marking (T0353)M18.CA as missing WARNING: atoms too close: (T0353)V17.O and (T0353)M18.O only 0.000 apart, marking (T0353)M18.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)M18.O only 0.000 apart, marking (T0353)M18.O as missing WARNING: atoms too close: (T0353)V17.C and (T0353)M18.C only 0.000 apart, marking (T0353)M18.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)M18.C only 0.000 apart, marking (T0353)M18.C as missing WARNING: atoms too close: (T0353)M18.N and (T0353)V22.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)V22.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)V22.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)V22.CA only 0.000 apart, marking (T0353)V22.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)V22.CA only 0.000 apart, marking (T0353)V22.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)V22.CA only 0.000 apart, marking (T0353)V22.CA as missing WARNING: atoms too close: (T0353)M18.O and (T0353)V22.O only 0.000 apart, marking (T0353)V22.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)V22.O only 0.000 apart, marking (T0353)V22.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)V22.O only 0.000 apart, marking (T0353)V22.O as missing WARNING: atoms too close: (T0353)M18.C and (T0353)V22.C only 0.000 apart, marking (T0353)V22.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)V22.C only 0.000 apart, marking (T0353)V22.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)V22.C only 0.000 apart, marking (T0353)V22.C as missing WARNING: atoms too close: (T0353)V22.N and (T0353)G44.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.N and (T0353)G44.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)G44.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)G44.N only 0.000 apart, marking (T0353)G44.N as missing WARNING: atoms too close: (T0353)V22.CA and (T0353)G44.CA only 0.000 apart, marking (T0353)G44.CA as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)G44.CA only 0.000 apart, marking (T0353)G44.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)G44.CA only 0.000 apart, marking (T0353)G44.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)G44.CA only 0.000 apart, marking (T0353)G44.CA as missing WARNING: atoms too close: (T0353)V22.O and (T0353)G44.O only 0.000 apart, marking (T0353)G44.O as missing WARNING: atoms too close: (T0353)M18.O and (T0353)G44.O only 0.000 apart, marking (T0353)G44.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)G44.O only 0.000 apart, marking (T0353)G44.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)G44.O only 0.000 apart, marking (T0353)G44.O as missing WARNING: atoms too close: (T0353)V22.C and (T0353)G44.C only 0.000 apart, marking (T0353)G44.C as missing WARNING: atoms too close: (T0353)M18.C and (T0353)G44.C only 0.000 apart, marking (T0353)G44.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)G44.C only 0.000 apart, marking (T0353)G44.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)G44.C only 0.000 apart, marking (T0353)G44.C as missing WARNING: atoms too close: (T0353)G44.N and (T0353)C58.N only 0.000 apart, marking (T0353)G44.N as missing WARNING: atoms too close: (T0353)V22.N and (T0353)C58.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.N and (T0353)C58.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)C58.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)C58.N only 0.000 apart, marking (T0353)C58.N as missing WARNING: atoms too close: (T0353)G44.CA and (T0353)C58.CA only 0.000 apart, marking (T0353)C58.CA as missing WARNING: atoms too close: (T0353)V22.CA and (T0353)C58.CA only 0.000 apart, marking (T0353)C58.CA as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)C58.CA only 0.000 apart, marking (T0353)C58.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)C58.CA only 0.000 apart, marking (T0353)C58.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)C58.CA only 0.000 apart, marking (T0353)C58.CA as missing WARNING: atoms too close: (T0353)G44.O and (T0353)C58.O only 0.000 apart, marking (T0353)C58.O as missing WARNING: atoms too close: (T0353)V22.O and (T0353)C58.O only 0.000 apart, marking (T0353)C58.O as missing WARNING: atoms too close: (T0353)M18.O and (T0353)C58.O only 0.000 apart, marking (T0353)C58.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)C58.O only 0.000 apart, marking (T0353)C58.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)C58.O only 0.000 apart, marking (T0353)C58.O as missing WARNING: atoms too close: (T0353)G44.C and (T0353)C58.C only 0.000 apart, marking (T0353)C58.C as missing WARNING: atoms too close: (T0353)V22.C and (T0353)C58.C only 0.000 apart, marking (T0353)C58.C as missing WARNING: atoms too close: (T0353)M18.C and (T0353)C58.C only 0.000 apart, marking (T0353)C58.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)C58.C only 0.000 apart, marking (T0353)C58.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)C58.C only 0.000 apart, marking (T0353)C58.C as missing WARNING: atoms too close: (T0353)C58.N and (T0353)H59.N only 0.000 apart, marking (T0353)C58.N as missing WARNING: atoms too close: (T0353)G44.N and (T0353)H59.N only 0.000 apart, marking (T0353)G44.N as missing WARNING: atoms too close: (T0353)V22.N and (T0353)H59.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.N and (T0353)H59.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)H59.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)H59.N only 0.000 apart, marking (T0353)H59.N as missing WARNING: atoms too close: (T0353)C58.CA and (T0353)H59.CA only 0.000 apart, marking (T0353)H59.CA as missing WARNING: atoms too close: (T0353)G44.CA and (T0353)H59.CA only 0.000 apart, marking (T0353)H59.CA as missing WARNING: atoms too close: (T0353)V22.CA and (T0353)H59.CA only 0.000 apart, marking (T0353)H59.CA as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)H59.CA only 0.000 apart, marking (T0353)H59.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)H59.CA only 0.000 apart, marking (T0353)H59.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)H59.CA only 0.000 apart, marking (T0353)H59.CA as missing WARNING: atoms too close: (T0353)C58.O and (T0353)H59.O only 0.000 apart, marking (T0353)H59.O as missing WARNING: atoms too close: (T0353)G44.O and (T0353)H59.O only 0.000 apart, marking (T0353)H59.O as missing WARNING: atoms too close: (T0353)V22.O and (T0353)H59.O only 0.000 apart, marking (T0353)H59.O as missing WARNING: atoms too close: (T0353)M18.O and (T0353)H59.O only 0.000 apart, marking (T0353)H59.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)H59.O only 0.000 apart, marking (T0353)H59.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)H59.O only 0.000 apart, marking (T0353)H59.O as missing WARNING: atoms too close: (T0353)C58.C and (T0353)H59.C only 0.000 apart, marking (T0353)H59.C as missing WARNING: atoms too close: (T0353)G44.C and (T0353)H59.C only 0.000 apart, marking (T0353)H59.C as missing WARNING: atoms too close: (T0353)V22.C and (T0353)H59.C only 0.000 apart, marking (T0353)H59.C as missing WARNING: atoms too close: (T0353)M18.C and (T0353)H59.C only 0.000 apart, marking (T0353)H59.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)H59.C only 0.000 apart, marking (T0353)H59.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)H59.C only 0.000 apart, marking (T0353)H59.C as missing WARNING: atoms too close: (T0353)H59.N and (T0353)S60.N only 0.000 apart, marking (T0353)H59.N as missing WARNING: atoms too close: (T0353)C58.N and (T0353)S60.N only 0.000 apart, marking (T0353)C58.N as missing WARNING: atoms too close: (T0353)G44.N and (T0353)S60.N only 0.000 apart, marking (T0353)G44.N as missing WARNING: atoms too close: (T0353)V22.N and (T0353)S60.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.N and (T0353)S60.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)S60.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)S60.N only 0.000 apart, marking (T0353)S60.N as missing WARNING: atoms too close: (T0353)H59.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)C58.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)G44.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)V22.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)S60.CA only 0.000 apart, marking (T0353)S60.CA as missing WARNING: atoms too close: (T0353)H59.O and (T0353)S60.O only 0.000 apart, marking (T0353)S60.O as missing WARNING: atoms too close: (T0353)C58.O and (T0353)S60.O only 0.000 apart, marking (T0353)S60.O as missing WARNING: atoms too close: (T0353)G44.O and (T0353)S60.O only 0.000 apart, marking (T0353)S60.O as missing WARNING: atoms too close: (T0353)V22.O and (T0353)S60.O only 0.000 apart, marking (T0353)S60.O as missing WARNING: atoms too close: (T0353)M18.O and (T0353)S60.O only 0.000 apart, marking (T0353)S60.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)S60.O only 0.000 apart, marking (T0353)S60.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)S60.O only 0.000 apart, marking (T0353)S60.O as missing WARNING: atoms too close: (T0353)H59.C and (T0353)S60.C only 0.000 apart, marking (T0353)S60.C as missing WARNING: atoms too close: (T0353)C58.C and (T0353)S60.C only 0.000 apart, marking (T0353)S60.C as missing WARNING: atoms too close: (T0353)G44.C and (T0353)S60.C only 0.000 apart, marking (T0353)S60.C as missing WARNING: atoms too close: (T0353)V22.C and (T0353)S60.C only 0.000 apart, marking (T0353)S60.C as missing WARNING: atoms too close: (T0353)M18.C and (T0353)S60.C only 0.000 apart, marking (T0353)S60.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)S60.C only 0.000 apart, marking (T0353)S60.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)S60.C only 0.000 apart, marking (T0353)S60.C as missing WARNING: atoms too close: (T0353)S60.N and (T0353)Q61.N only 0.000 apart, marking (T0353)S60.N as missing WARNING: atoms too close: (T0353)H59.N and (T0353)Q61.N only 0.000 apart, marking (T0353)H59.N as missing WARNING: atoms too close: (T0353)C58.N and (T0353)Q61.N only 0.000 apart, marking (T0353)C58.N as missing WARNING: atoms too close: (T0353)G44.N and (T0353)Q61.N only 0.000 apart, marking (T0353)G44.N as missing WARNING: atoms too close: (T0353)V22.N and (T0353)Q61.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.N and (T0353)Q61.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)Q61.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)Q61.N only 0.000 apart, marking (T0353)Q61.N as missing WARNING: atoms too close: (T0353)S60.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)H59.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)C58.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)G44.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)V22.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)Q61.CA only 0.000 apart, marking (T0353)Q61.CA as missing WARNING: atoms too close: (T0353)S60.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)H59.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)C58.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)G44.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)V22.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)M18.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)Q61.O only 0.000 apart, marking (T0353)Q61.O as missing WARNING: atoms too close: (T0353)S60.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)H59.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)C58.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)G44.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)V22.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)M18.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)Q61.C only 0.000 apart, marking (T0353)Q61.C as missing WARNING: atoms too close: (T0353)Q61.N and (T0353)K62.N only 0.000 apart, marking (T0353)Q61.N as missing WARNING: atoms too close: (T0353)S60.N and (T0353)K62.N only 0.000 apart, marking (T0353)S60.N as missing WARNING: atoms too close: (T0353)H59.N and (T0353)K62.N only 0.000 apart, marking (T0353)H59.N as missing WARNING: atoms too close: (T0353)C58.N and (T0353)K62.N only 0.000 apart, marking (T0353)C58.N as missing WARNING: atoms too close: (T0353)G44.N and (T0353)K62.N only 0.000 apart, marking (T0353)G44.N as missing WARNING: atoms too close: (T0353)V22.N and (T0353)K62.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.N and (T0353)K62.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)K62.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)K62.N only 0.000 apart, marking (T0353)K62.N as missing WARNING: atoms too close: (T0353)Q61.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)S60.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)H59.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)C58.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)G44.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)V22.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)K62.CA only 0.000 apart, marking (T0353)K62.CA as missing WARNING: atoms too close: (T0353)Q61.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)S60.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)H59.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)C58.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)G44.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)V22.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)M18.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)K62.O only 0.000 apart, marking (T0353)K62.O as missing WARNING: atoms too close: (T0353)Q61.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)S60.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)H59.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)C58.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)G44.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)V22.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)M18.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)K62.C only 0.000 apart, marking (T0353)K62.C as missing WARNING: atoms too close: (T0353)K62.N and (T0353)A63.N only 0.000 apart, marking (T0353)K62.N as missing WARNING: atoms too close: (T0353)Q61.N and (T0353)A63.N only 0.000 apart, marking (T0353)Q61.N as missing WARNING: atoms too close: (T0353)S60.N and (T0353)A63.N only 0.000 apart, marking (T0353)S60.N as missing WARNING: atoms too close: (T0353)H59.N and (T0353)A63.N only 0.000 apart, marking (T0353)H59.N as missing WARNING: atoms too close: (T0353)C58.N and (T0353)A63.N only 0.000 apart, marking (T0353)C58.N as missing WARNING: atoms too close: (T0353)G44.N and (T0353)A63.N only 0.000 apart, marking (T0353)G44.N as missing WARNING: atoms too close: (T0353)V22.N and (T0353)A63.N only 0.000 apart, marking (T0353)V22.N as missing WARNING: atoms too close: (T0353)M18.N and (T0353)A63.N only 0.000 apart, marking (T0353)M18.N as missing WARNING: atoms too close: (T0353)V17.N and (T0353)A63.N only 0.000 apart, marking (T0353)V17.N as missing WARNING: atoms too close: (T0353)H16.N and (T0353)A63.N only 0.000 apart, marking (T0353)A63.N as missing WARNING: atoms too close: (T0353)K62.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)Q61.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)S60.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)H59.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)C58.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)G44.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)V22.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)M18.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)V17.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)H16.CA and (T0353)A63.CA only 0.000 apart, marking (T0353)A63.CA as missing WARNING: atoms too close: (T0353)K62.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)Q61.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)S60.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)H59.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)C58.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)G44.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)V22.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)M18.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)V17.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)H16.O and (T0353)A63.O only 0.000 apart, marking (T0353)A63.O as missing WARNING: atoms too close: (T0353)K62.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)Q61.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)S60.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)H59.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)C58.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)G44.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)V22.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)M18.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)V17.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing WARNING: atoms too close: (T0353)H16.C and (T0353)A63.C only 0.000 apart, marking (T0353)A63.C as missing # WARNING: incomplete conformation T0353 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 T0353 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 T0353 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 262 model score 1.0257 model score 1.2734 model score 1.1332 model score 1.0717 model score 1.0681 model score 1.3554 model score 1.3276 model score 0.9761 model score 1.3268 model score 0.9343 model score 1.6625 model score 0.9235 model score 1.4735 model score 1.3051 model score 1.5177 model score 1.6413 model score 0.6833 model score 0.6748 model score 1.6287 model score 2.1997 model score 0.6833 model score 0.6748 model score 0.8191 model score 0.6160 model score 0.7399 model score 2.0728 model score 2.2928 model score 1.0237 model score 1.0178 model score 1.1144 model score 0.8774 model score 1.9582 model score 1.4239 model score 1.1723 model score 1.2281 model score 0.9782 model score 1.0675 model score 1.2305 model score 1.4094 model score 1.1978 model score 1.4392 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.1723 model score 1.2176 model score 1.4841 model score 1.1891 model score 1.3113 model score 1.1404 model score 1.2281 model score 1.9582 model score 0.9782 model score 1.6838 model score 2.0323 model score 2.1362 model score 2.0318 model score 2.0806 model score 1.8121 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.9444 model score 1.8306 model score 2.0957 model score 2.1126 model score 2.1103 model score 2.3560 model score 1.0273 model score 1.9035 model score 1.1823 model score 1.7993 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.6838 model score 1.1275 model score 1.1105 model score 1.4750 model score 1.5025 model score 1.3726 model score 2.2354 model score 1.8553 model score 1.8032 model score 1.0900 model score 1.3366 model score 1.4320 model score 1.1788 model score 1.0364 model score 2.0242 model score 2.0242 model score 1.1455 model score 1.3969 model score 1.3447 model score 1.1145 model score 1.1994 model score 0.6803 model score 1.1463 model score 1.1759 model score 1.2023 model score 1.1238 model score 1.2771 model score 1.1224 model score 1.8356 model score 1.7885 model score 1.6506 model score 1.7481 model score 1.3614 model score 1.5680 model score 1.2049 model score 1.8003 model score 1.3475 model score 0.6686 model score 0.7483 model score 0.7416 model score 0.9956 model score 1.0259 model score 1.2771 model score 1.7990 model score 1.3845 model score 1.3679 model score 1.4125 model score 1.7990 model score 1.1745 model score 0.9970 model score 1.0971 model score 1.1605 model score 1.1745 model score 0.9970 model score 0.9902 model score 1.0356 model score 1.1745 model score 1.0181 model score 1.2990 model score 1.2990 model score 1.6975 model score 1.0189 model score 1.7189 model score 1.1661 model score 1.4436 model score 1.0567 model score 0.9382 model score 1.4577 model score 1.2491 model score 1.1874 model score 1.2119 model score 1.3244 model score 1.1794 model score 1.3871 model score 1.1271 model score 0.9752 model score 1.1702 model score 1.1713 model score 1.0483 model score 1.1352 model score 0.8568 model score 1.3950 model score 1.6026 model score 1.2343 model score 1.1036 model score 0.8684 model score 1.3860 model score 1.5958 model score 1.2838 model score 0.7732 model score 0.6364 model score 0.7876 model score 0.7985 model score 0.8116 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.9342 model score 1.2345 model score 0.6857 model score 1.0184 model score 0.8265 model score 2.0833 model score 1.3364 model score 1.5881 model score 2.0803 model score 0.9752 model score 2.0833 model score 2.1362 model score 1.9524 model score 1.1652 model score 1.9730 model score 1.8439 model score 1.8608 model score 1.7217 model score 1.7422 model score 1.4632 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.6437 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.6265 model score 0.4657 model score 0.5392 model score 0.5737 model score 0.5735 model score 0.7613 model score 1.1177 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 2.0461 model score 1.6080 model score 2.1268 model score 1.8139 model score 1.2700 model score 1.4969 model score 1.6035 model score 1.5578 model score 1.1671 model score 1.2387 model score 1.0399 model score 1.1540 model score 1.2535 model score 1.2483 model score 0.6745 model score 1.8543 model score 1.9019 model score 1.7457 model score 1.5910 model score 1.0327 model score 1.1140 model score 1.3909 model score 1.0362 model score 2.1063 model score 1.1942 model score 1.2207 model score 1.9612 model score 1.2915 model score 0.9186 weight: 0.7334 eval: 1.0257 min: 0.4657 max: 2.3560 weight: 0.6154 eval: 1.2734 min: 0.4657 max: 2.3560 weight: 0.6822 eval: 1.1332 min: 0.4657 max: 2.3560 weight: 0.7115 eval: 1.0717 min: 0.4657 max: 2.3560 weight: 0.7132 eval: 1.0681 min: 0.4657 max: 2.3560 weight: 0.5764 eval: 1.3554 min: 0.4657 max: 2.3560 weight: 0.5896 eval: 1.3276 min: 0.4657 max: 2.3560 weight: 0.7570 eval: 0.9761 min: 0.4657 max: 2.3560 weight: 0.5900 eval: 1.3268 min: 0.4657 max: 2.3560 weight: 0.7769 eval: 0.9343 min: 0.4657 max: 2.3560 weight: 0.4302 eval: 1.6625 min: 0.4657 max: 2.3560 weight: 0.7820 eval: 0.9235 min: 0.4657 max: 2.3560 weight: 0.5202 eval: 1.4735 min: 0.4657 max: 2.3560 weight: 0.6004 eval: 1.3051 min: 0.4657 max: 2.3560 weight: 0.4991 eval: 1.5177 min: 0.4657 max: 2.3560 weight: 0.4403 eval: 1.6413 min: 0.4657 max: 2.3560 weight: 0.8964 eval: 0.6833 min: 0.4657 max: 2.3560 weight: 0.9005 eval: 0.6748 min: 0.4657 max: 2.3560 weight: 0.4463 eval: 1.6287 min: 0.4657 max: 2.3560 weight: 0.1744 eval: 2.1997 min: 0.4657 max: 2.3560 weight: 0.8964 eval: 0.6833 min: 0.4657 max: 2.3560 weight: 0.9005 eval: 0.6748 min: 0.4657 max: 2.3560 weight: 0.8317 eval: 0.8191 min: 0.4657 max: 2.3560 weight: 0.9285 eval: 0.6160 min: 0.4657 max: 2.3560 weight: 0.8695 eval: 0.7399 min: 0.4657 max: 2.3560 weight: 0.2348 eval: 2.0728 min: 0.4657 max: 2.3560 weight: 0.1301 eval: 2.2928 min: 0.4657 max: 2.3560 weight: 0.7343 eval: 1.0237 min: 0.4657 max: 2.3560 weight: 0.7372 eval: 1.0178 min: 0.4657 max: 2.3560 weight: 0.6912 eval: 1.1144 min: 0.4657 max: 2.3560 weight: 0.8040 eval: 0.8774 min: 0.4657 max: 2.3560 weight: 0.2894 eval: 1.9582 min: 0.4657 max: 2.3560 weight: 0.5438 eval: 1.4239 min: 0.4657 max: 2.3560 weight: 0.6636 eval: 1.1723 min: 0.4657 max: 2.3560 weight: 0.6370 eval: 1.2281 min: 0.4657 max: 2.3560 weight: 0.7560 eval: 0.9782 min: 0.4657 max: 2.3560 weight: 0.7135 eval: 1.0675 min: 0.4657 max: 2.3560 weight: 0.6359 eval: 1.2305 min: 0.4657 max: 2.3560 weight: 0.5507 eval: 1.4094 min: 0.4657 max: 2.3560 weight: 0.6514 eval: 1.1978 min: 0.4657 max: 2.3560 weight: 0.5365 eval: 1.4392 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6636 eval: 1.1723 min: 0.4657 max: 2.3560 weight: 0.6420 eval: 1.2176 min: 0.4657 max: 2.3560 weight: 0.5151 eval: 1.4841 min: 0.4657 max: 2.3560 weight: 0.6556 eval: 1.1891 min: 0.4657 max: 2.3560 weight: 0.5974 eval: 1.3113 min: 0.4657 max: 2.3560 weight: 0.6788 eval: 1.1404 min: 0.4657 max: 2.3560 weight: 0.6370 eval: 1.2281 min: 0.4657 max: 2.3560 weight: 0.2894 eval: 1.9582 min: 0.4657 max: 2.3560 weight: 0.7560 eval: 0.9782 min: 0.4657 max: 2.3560 weight: 0.4200 eval: 1.6838 min: 0.4657 max: 2.3560 weight: 0.2541 eval: 2.0323 min: 0.4657 max: 2.3560 weight: 0.2047 eval: 2.1362 min: 0.4657 max: 2.3560 weight: 0.2544 eval: 2.0318 min: 0.4657 max: 2.3560 weight: 0.2311 eval: 2.0806 min: 0.4657 max: 2.3560 weight: 0.3589 eval: 1.8121 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.2960 eval: 1.9444 min: 0.4657 max: 2.3560 weight: 0.3501 eval: 1.8306 min: 0.4657 max: 2.3560 weight: 0.2239 eval: 2.0957 min: 0.4657 max: 2.3560 weight: 0.2159 eval: 2.1126 min: 0.4657 max: 2.3560 weight: 0.2170 eval: 2.1103 min: 0.4657 max: 2.3560 weight: 0.1000 eval: 2.3560 min: 0.4657 max: 2.3560 weight: 0.7326 eval: 1.0273 min: 0.4657 max: 2.3560 weight: 0.3154 eval: 1.9035 min: 0.4657 max: 2.3560 weight: 0.6588 eval: 1.1823 min: 0.4657 max: 2.3560 weight: 0.3651 eval: 1.7993 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.4200 eval: 1.6838 min: 0.4657 max: 2.3560 weight: 0.6849 eval: 1.1275 min: 0.4657 max: 2.3560 weight: 0.6930 eval: 1.1105 min: 0.4657 max: 2.3560 weight: 0.5195 eval: 1.4750 min: 0.4657 max: 2.3560 weight: 0.5064 eval: 1.5025 min: 0.4657 max: 2.3560 weight: 0.5682 eval: 1.3726 min: 0.4657 max: 2.3560 weight: 0.1574 eval: 2.2354 min: 0.4657 max: 2.3560 weight: 0.3384 eval: 1.8553 min: 0.4657 max: 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weight: 0.6873 eval: 1.1224 min: 0.4657 max: 2.3560 weight: 0.3478 eval: 1.8356 min: 0.4657 max: 2.3560 weight: 0.3702 eval: 1.7885 min: 0.4657 max: 2.3560 weight: 0.4358 eval: 1.6506 min: 0.4657 max: 2.3560 weight: 0.3894 eval: 1.7481 min: 0.4657 max: 2.3560 weight: 0.5736 eval: 1.3614 min: 0.4657 max: 2.3560 weight: 0.4752 eval: 1.5680 min: 0.4657 max: 2.3560 weight: 0.6481 eval: 1.2049 min: 0.4657 max: 2.3560 weight: 0.3646 eval: 1.8003 min: 0.4657 max: 2.3560 weight: 0.5802 eval: 1.3475 min: 0.4657 max: 2.3560 weight: 0.9034 eval: 0.6686 min: 0.4657 max: 2.3560 weight: 0.8655 eval: 0.7483 min: 0.4657 max: 2.3560 weight: 0.8687 eval: 0.7416 min: 0.4657 max: 2.3560 weight: 0.7477 eval: 0.9956 min: 0.4657 max: 2.3560 weight: 0.7333 eval: 1.0259 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.3652 eval: 1.7990 min: 0.4657 max: 2.3560 weight: 0.5626 eval: 1.3845 min: 0.4657 max: 2.3560 weight: 0.5705 eval: 1.3679 min: 0.4657 max: 2.3560 weight: 0.5492 eval: 1.4125 min: 0.4657 max: 2.3560 weight: 0.3652 eval: 1.7990 min: 0.4657 max: 2.3560 weight: 0.6625 eval: 1.1745 min: 0.4657 max: 2.3560 weight: 0.7471 eval: 0.9970 min: 0.4657 max: 2.3560 weight: 0.6994 eval: 1.0971 min: 0.4657 max: 2.3560 weight: 0.6692 eval: 1.1605 min: 0.4657 max: 2.3560 weight: 0.6625 eval: 1.1745 min: 0.4657 max: 2.3560 weight: 0.7471 eval: 0.9970 min: 0.4657 max: 2.3560 weight: 0.7503 eval: 0.9902 min: 0.4657 max: 2.3560 weight: 0.7287 eval: 1.0356 min: 0.4657 max: 2.3560 weight: 0.6625 eval: 1.1745 min: 0.4657 max: 2.3560 weight: 0.7370 eval: 1.0181 min: 0.4657 max: 2.3560 weight: 0.6033 eval: 1.2990 min: 0.4657 max: 2.3560 weight: 0.6033 eval: 1.2990 min: 0.4657 max: 2.3560 weight: 0.4135 eval: 1.6975 min: 0.4657 max: 2.3560 weight: 0.7366 eval: 1.0189 min: 0.4657 max: 2.3560 weight: 0.4033 eval: 1.7189 min: 0.4657 max: 2.3560 weight: 0.6665 eval: 1.1661 min: 0.4657 max: 2.3560 weight: 0.5344 eval: 1.4436 min: 0.4657 max: 2.3560 weight: 0.7186 eval: 1.0567 min: 0.4657 max: 2.3560 weight: 0.7750 eval: 0.9382 min: 0.4657 max: 2.3560 weight: 0.5277 eval: 1.4577 min: 0.4657 max: 2.3560 weight: 0.6270 eval: 1.2491 min: 0.4657 max: 2.3560 weight: 0.6564 eval: 1.1874 min: 0.4657 max: 2.3560 weight: 0.6447 eval: 1.2119 min: 0.4657 max: 2.3560 weight: 0.5912 eval: 1.3244 min: 0.4657 max: 2.3560 weight: 0.6602 eval: 1.1794 min: 0.4657 max: 2.3560 weight: 0.5613 eval: 1.3871 min: 0.4657 max: 2.3560 weight: 0.6851 eval: 1.1271 min: 0.4657 max: 2.3560 weight: 0.7574 eval: 0.9752 min: 0.4657 max: 2.3560 weight: 0.6646 eval: 1.1702 min: 0.4657 max: 2.3560 weight: 0.6640 eval: 1.1713 min: 0.4657 max: 2.3560 weight: 0.7226 eval: 1.0483 min: 0.4657 max: 2.3560 weight: 0.6812 eval: 1.1352 min: 0.4657 max: 2.3560 weight: 0.8138 eval: 0.8568 min: 0.4657 max: 2.3560 weight: 0.5575 eval: 1.3950 min: 0.4657 max: 2.3560 weight: 0.4587 eval: 1.6026 min: 0.4657 max: 2.3560 weight: 0.6341 eval: 1.2343 min: 0.4657 max: 2.3560 weight: 0.6963 eval: 1.1036 min: 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2.3560 weight: 0.7770 eval: 0.9342 min: 0.4657 max: 2.3560 weight: 0.6340 eval: 1.2345 min: 0.4657 max: 2.3560 weight: 0.8953 eval: 0.6857 min: 0.4657 max: 2.3560 weight: 0.7369 eval: 1.0184 min: 0.4657 max: 2.3560 weight: 0.8282 eval: 0.8265 min: 0.4657 max: 2.3560 weight: 0.2298 eval: 2.0833 min: 0.4657 max: 2.3560 weight: 0.5855 eval: 1.3364 min: 0.4657 max: 2.3560 weight: 0.4656 eval: 1.5881 min: 0.4657 max: 2.3560 weight: 0.2313 eval: 2.0803 min: 0.4657 max: 2.3560 weight: 0.7574 eval: 0.9752 min: 0.4657 max: 2.3560 weight: 0.2298 eval: 2.0833 min: 0.4657 max: 2.3560 weight: 0.2046 eval: 2.1362 min: 0.4657 max: 2.3560 weight: 0.2922 eval: 1.9524 min: 0.4657 max: 2.3560 weight: 0.6670 eval: 1.1652 min: 0.4657 max: 2.3560 weight: 0.2823 eval: 1.9730 min: 0.4657 max: 2.3560 weight: 0.3438 eval: 1.8439 min: 0.4657 max: 2.3560 weight: 0.3358 eval: 1.8608 min: 0.4657 max: 2.3560 weight: 0.4020 eval: 1.7217 min: 0.4657 max: 2.3560 weight: 0.3922 eval: 1.7422 min: 0.4657 max: 2.3560 weight: 0.5251 eval: 1.4632 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.4391 eval: 1.6437 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.9234 eval: 0.6265 min: 0.4657 max: 2.3560 weight: 1.0000 eval: 0.4657 min: 0.4657 max: 2.3560 weight: 0.9650 eval: 0.5392 min: 0.4657 max: 2.3560 weight: 0.9486 eval: 0.5737 min: 0.4657 max: 2.3560 weight: 0.9487 eval: 0.5735 min: 0.4657 max: 2.3560 weight: 0.8593 eval: 0.7613 min: 0.4657 max: 2.3560 weight: 0.6896 eval: 1.1177 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.6137 eval: 1.2771 min: 0.4657 max: 2.3560 weight: 0.2475 eval: 2.0461 min: 0.4657 max: 2.3560 weight: 0.4561 eval: 1.6080 min: 0.4657 max: 2.3560 weight: 0.2091 eval: 2.1268 min: 0.4657 max: 2.3560 weight: 0.3581 eval: 1.8139 min: 0.4657 max: 2.3560 weight: 0.6171 eval: 1.2700 min: 0.4657 max: 2.3560 weight: 0.5090 eval: 1.4969 min: 0.4657 max: 2.3560 weight: 0.4583 eval: 1.6035 min: 0.4657 max: 2.3560 weight: 0.4800 eval: 1.5578 min: 0.4657 max: 2.3560 weight: 0.6660 eval: 1.1671 min: 0.4657 max: 2.3560 weight: 0.6320 eval: 1.2387 min: 0.4657 max: 2.3560 weight: 0.7266 eval: 1.0399 min: 0.4657 max: 2.3560 weight: 0.6723 eval: 1.1540 min: 0.4657 max: 2.3560 weight: 0.6249 eval: 1.2535 min: 0.4657 max: 2.3560 weight: 0.6274 eval: 1.2483 min: 0.4657 max: 2.3560 weight: 0.9006 eval: 0.6745 min: 0.4657 max: 2.3560 weight: 0.3389 eval: 1.8543 min: 0.4657 max: 2.3560 weight: 0.3162 eval: 1.9019 min: 0.4657 max: 2.3560 weight: 0.3906 eval: 1.7457 min: 0.4657 max: 2.3560 weight: 0.4642 eval: 1.5910 min: 0.4657 max: 2.3560 weight: 0.7300 eval: 1.0327 min: 0.4657 max: 2.3560 weight: 0.6913 eval: 1.1140 min: 0.4657 max: 2.3560 weight: 0.5595 eval: 1.3909 min: 0.4657 max: 2.3560 weight: 0.7284 eval: 1.0362 min: 0.4657 max: 2.3560 weight: 0.2189 eval: 2.1063 min: 0.4657 max: 2.3560 weight: 0.6531 eval: 1.1942 min: 0.4657 max: 2.3560 weight: 0.6406 eval: 1.2207 min: 0.4657 max: 2.3560 weight: 0.2880 eval: 1.9612 min: 0.4657 max: 2.3560 weight: 0.6069 eval: 1.2915 min: 0.4657 max: 2.3560 weight: 0.7844 eval: 0.9186 min: 0.4657 max: 2.3560 Adding 2660 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: -132.6942, CN propb: -132.6942 weights: 0.2942 constraints: 216 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 216 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 216 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 2444 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 2444 # 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 2660 # command: