# 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/T0347/ # command:# Making conformation for sequence T0347 numbered 1 through 205 Created new target T0347 from T0347.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0347/ # command:Warning: Couldn't open file /projects/compbio/experiments/protein-predict/casp7/T0347//projects/compbio/experiments/protein-predict/casp7/T0347/align.constraints_v3.costfcn or /projects/compbio/experiments/protein-predict/casp7/T0347//projects/compbio/experiments/protein-predict/casp7/T0347/align.constraints_v3.costfcn.gz for input Trying /projects/compbio/experiments/protein-predict/casp7/T0347/align.constraints_v3.costfcn # reading script from file /projects/compbio/experiments/protein-predict/casp7/T0347/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((T0347)V72.CB, (T0347)V83.CB) [> 3.9654 = 6.6090 < 8.5917] w=1.0000 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)V83.CB) [> 4.2520 = 7.0867 < 9.2127] w=0.7101 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)A74.CB) [> 3.3772 = 5.6287 < 7.3173] w=0.6882 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)V88.CB) [> 3.8567 = 6.4278 < 8.3561] w=0.6834 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)E87.CB) [> 2.8362 = 4.7271 < 6.1452] w=0.6751 to align # Constraint # added constraint: constraint((T0347)W36.CB, (T0347)E78.CB) [> 4.0550 = 6.7583 < 8.7858] w=0.6710 to align # Constraint # added constraint: constraint((T0347)W36.CB, (T0347)L75.CB) [> 4.3536 = 7.2560 < 9.4328] w=0.6710 to align # Constraint # added constraint: constraint((T0347)R33.CB, (T0347)E78.CB) [> 3.8212 = 6.3687 < 8.2793] w=0.6710 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)V88.CB) [> 3.4494 = 5.7490 < 7.4737] w=0.6692 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)L65.CB) [> 3.5352 = 5.8920 < 7.6596] w=0.6596 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)Y64.CB) [> 4.3359 = 7.2265 < 9.3945] w=0.6596 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)T85.CB) [> 4.2365 = 7.0609 < 9.1792] w=0.6578 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)S86.CB) [> 4.0175 = 6.6958 < 8.7045] w=0.6351 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)T85.CB) [> 2.6785 = 4.4642 < 5.8035] w=0.6351 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)L84.CB) [> 4.4890 = 7.4816 < 9.7261] w=0.6294 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)H82.CB) [> 2.5669 = 4.2782 < 5.5617] w=0.6294 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)L84.CB) [> 3.6875 = 6.1459 < 7.9896] w=0.6294 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)H82.CB) [> 3.8507 = 6.4178 < 8.3431] w=0.6294 to align # Constraint # added constraint: constraint((T0347)A13.CB, (T0347)E81.CB) [> 3.7500 = 6.2499 < 8.1249] w=0.6294 to align # Constraint # added constraint: constraint((T0347)A13.CB, (T0347)H82.CB) [> 3.4340 = 5.7233 < 7.4403] w=0.6294 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)I66.CB) [> 3.8836 = 6.4726 < 8.4144] w=0.6262 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)K77.CB) [> 4.3877 = 7.3129 < 9.5068] w=0.6127 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V72.CB) [> 4.1666 = 6.9443 < 9.0276] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)E87.CB) [> 4.4151 = 7.3585 < 9.5661] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)T85.CB) [> 2.7531 = 4.5884 < 5.9650] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V83.CB) [> 3.7685 = 6.2809 < 8.1651] w=0.5927 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)T85.CB) [> 4.5578 = 7.5963 < 9.8752] w=0.5927 to align # Constraint # added constraint: constraint((T0347)R11.CB, (T0347)V83.CB) [> 4.3225 = 7.2041 < 9.3653] w=0.5927 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)E87.CB) [> 3.6326 = 6.0542 < 7.8705] w=0.5927 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)T85.CB) [> 3.7656 = 6.2761 < 8.1589] w=0.5927 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)S86.CB) [> 3.3062 = 5.5103 < 7.1633] w=0.5927 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)T85.CB) [> 4.1336 = 6.8893 < 8.9561] w=0.5927 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)L84.CB) [> 3.3647 = 5.6079 < 7.2903] w=0.5927 to align # Constraint # added constraint: constraint((T0347)P7.CB, (T0347)S86.CB) [> 3.6231 = 6.0385 < 7.8501] w=0.5927 to align # Constraint # added constraint: constraint((T0347)R33.CB, (T0347)A74.CB) [> 2.7212 = 4.5353 < 5.8959] w=0.5927 to align # Constraint # added constraint: constraint((T0347)K32.CB, (T0347)A74.CB) [> 2.3490 = 3.9149 < 5.0894] w=0.5927 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)L73.CB) [> 3.0852 = 5.1420 < 6.6846] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V83.CB) [> 3.4419 = 5.7365 < 7.4574] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)H82.CB) [> 3.9927 = 6.6546 < 8.6509] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V80.CB) [> 3.8950 = 6.4917 < 8.4392] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)S76.CB) [> 3.7821 = 6.3035 < 8.1946] w=0.5927 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)L75.CB) [> 3.7252 = 6.2086 < 8.0712] w=0.5927 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)I66.CB) [> 2.7008 = 4.5013 < 5.8517] w=0.5920 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)L65.CB) [> 4.5119 = 7.5199 < 9.7758] w=0.5920 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)D67.CB) [> 3.4728 = 5.7879 < 7.5243] w=0.5920 to align # Constraint # added constraint: constraint((T0347)H68.CB, (T0347)T85.CB) [> 4.6172 = 7.6953 < 10.0039] w=0.5522 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)S86.CB) [> 3.2707 = 5.4512 < 7.0865] w=0.5299 to align # Constraint # added constraint: constraint((T0347)A140.CB, (T0347)Y149.CB) [> 4.1370 = 6.8950 < 8.9635] w=0.5292 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V53.CB) [> 4.1268 = 6.8780 < 8.9414] w=0.5244 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)L65.CB) [> 3.5159 = 5.8599 < 7.6179] w=0.5244 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)E87.CB) [> 4.2411 = 7.0686 < 9.1891] w=0.5137 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)D67.CB) [> 3.8897 = 6.4828 < 8.4277] w=0.4903 to align # Constraint # added constraint: constraint((T0347)V29.CB, (T0347)H70.CB) [> 3.1590 = 5.2649 < 6.8444] w=0.4903 to align # Constraint # added constraint: constraint((T0347)E28.CB, (T0347)H70.CB) [> 3.0213 = 5.0354 < 6.5461] w=0.4903 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)H70.CB) [> 3.7971 = 6.3285 < 8.2271] w=0.4903 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)A89.CB) [> 3.3788 = 5.6314 < 7.3208] w=0.4886 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)L73.CB) [> 3.3709 = 5.6181 < 7.3035] w=0.4762 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)L65.CB) [> 3.4610 = 5.7683 < 7.4988] w=0.4546 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)L65.CB) [> 3.6852 = 6.1420 < 7.9846] w=0.4546 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)T85.CB) [> 4.0134 = 6.6890 < 8.6957] w=0.4534 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)T85.CB) [> 4.4256 = 7.3759 < 9.5887] w=0.4489 to align # Constraint # added constraint: constraint((T0347)K32.CB, (T0347)L48.CB) [> 3.9130 = 6.5216 < 8.4781] w=0.4317 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)F99.CB) [> 3.6465 = 6.0774 < 7.9007] w=0.4279 to align # Constraint # added constraint: constraint((T0347)P7.CB, (T0347)E87.CB) [> 4.0603 = 6.7672 < 8.7973] w=0.4179 to align # Constraint # added constraint: constraint((T0347)P7.CB, (T0347)V88.CB) [> 3.2989 = 5.4981 < 7.1475] w=0.4179 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)D67.CB) [> 2.8507 = 4.7511 < 6.1764] w=0.4179 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)V72.CB) [> 4.4404 = 7.4006 < 9.6208] w=0.4179 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)V83.CB) [> 4.6484 = 7.7473 < 10.0714] w=0.4179 to align # Constraint # added constraint: constraint((T0347)W36.CB, (T0347)L48.CB) [> 3.8916 = 6.4861 < 8.4319] w=0.4161 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)L108.CB) [> 3.7782 = 6.2969 < 8.1860] w=0.4140 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)E87.CB) [> 4.2610 = 7.1017 < 9.2322] w=0.4098 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)I66.CB) [> 4.3483 = 7.2472 < 9.4213] w=0.4038 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)K96.CB) [> 4.5229 = 7.5381 < 9.7996] w=0.3996 to align # Constraint # added constraint: constraint((T0347)I66.CB, (T0347)V102.CB) [> 4.3453 = 7.2421 < 9.4148] w=0.3863 to align # Constraint # added constraint: constraint((T0347)I66.CB, (T0347)F99.CB) [> 3.8926 = 6.4876 < 8.4339] w=0.3863 to align # Constraint # added constraint: constraint((T0347)H51.CB, (T0347)H68.CB) [> 3.1016 = 5.1694 < 6.7202] w=0.3851 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)H68.CB) [> 4.3267 = 7.2112 < 9.3745] w=0.3851 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)V88.CB) [> 3.3880 = 5.6467 < 7.3407] w=0.3792 to align # Constraint # added constraint: constraint((T0347)M103.CB, (T0347)L143.CB) [> 3.9941 = 6.6568 < 8.6539] w=0.3783 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)L139.CB) [> 3.7521 = 6.2535 < 8.1295] w=0.3783 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)T85.CB) [> 3.8525 = 6.4209 < 8.3471] w=0.3758 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)H70.CB) [> 4.2457 = 7.0761 < 9.1990] w=0.3737 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)H69.CB) [> 3.8917 = 6.4861 < 8.4319] w=0.3737 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)H68.CB) [> 3.4647 = 5.7745 < 7.5068] w=0.3703 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)I109.CB) [> 3.7955 = 6.3258 < 8.2235] w=0.3541 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)I109.CB) [> 3.8013 = 6.3355 < 8.2361] w=0.3528 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)L108.CB) [> 3.7105 = 6.1841 < 8.0393] w=0.3516 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)L108.CB) [> 3.9857 = 6.6429 < 8.6358] w=0.3516 to align # Constraint # added constraint: constraint((T0347)D104.CB, (T0347)A146.CB) [> 3.7199 = 6.1998 < 8.0598] w=0.3511 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)A142.CB) [> 3.0782 = 5.1303 < 6.6694] w=0.3511 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)E87.CB) [> 3.3113 = 5.5189 < 7.1746] w=0.3496 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)V88.CB) [> 3.8621 = 6.4369 < 8.3680] w=0.3496 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)E98.CB) [> 3.9778 = 6.6296 < 8.6185] w=0.3496 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)F99.CB) [> 3.9910 = 6.6517 < 8.6472] w=0.3496 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)K96.CB) [> 3.8769 = 6.4615 < 8.3999] w=0.3496 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)L65.CB) [> 4.5508 = 7.5847 < 9.8601] w=0.3449 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)L84.CB) [> 3.1496 = 5.2494 < 6.8242] w=0.3446 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)L84.CB) [> 4.2346 = 7.0577 < 9.1749] w=0.3396 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)P111.CB) [> 4.4788 = 7.4647 < 9.7041] w=0.3342 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)L139.CB) [> 3.8478 = 6.4130 < 8.3369] w=0.3314 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)S86.CB) [> 4.7430 = 7.9050 < 10.2765] w=0.3282 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)F99.CB) [> 3.8961 = 6.4935 < 8.4415] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V102.CB) [> 4.0641 = 6.7735 < 8.8055] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)M103.CB) [> 2.7738 = 4.6230 < 6.0098] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)R106.CB) [> 4.0359 = 6.7264 < 8.7444] w=0.3205 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)L108.CB) [> 3.5271 = 5.8785 < 7.6420] w=0.3205 to align # Constraint # added constraint: constraint((T0347)D45.CB, (T0347)L108.CB) [> 3.5617 = 5.9361 < 7.7169] w=0.3205 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)Y110.CB) [> 4.1893 = 6.9822 < 9.0768] w=0.3201 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)T85.CB) [> 4.3670 = 7.2784 < 9.4619] w=0.3169 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)R119.CB) [> 4.0909 = 6.8181 < 8.8635] w=0.3162 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)L139.CB) [> 3.6623 = 6.1039 < 7.9351] w=0.3154 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)Y110.CB) [> 3.3917 = 5.6528 < 7.3486] w=0.3143 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)I124.CB) [> 3.6449 = 6.0749 < 7.8974] w=0.3122 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)L65.CB) [> 3.5959 = 5.9932 < 7.7912] w=0.3104 to align # Constraint # added constraint: constraint((T0347)Y149.CB, (T0347)F159.CB) [> 4.1174 = 6.8623 < 8.9210] w=0.3100 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)L84.CB) [> 4.2789 = 7.1315 < 9.2709] w=0.3089 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)S86.CB) [> 2.9981 = 4.9969 < 6.4960] w=0.3055 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)V83.CB) [> 3.3525 = 5.5875 < 7.2638] w=0.3055 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)I124.CB) [> 2.8974 = 4.8290 < 6.2777] w=0.3045 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)S138.CB) [> 3.6181 = 6.0301 < 7.8392] w=0.3042 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)T85.CB) [> 4.2945 = 7.1575 < 9.3048] w=0.2996 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)L71.CB) [> 3.7076 = 6.1793 < 8.0331] w=0.2976 to align # Constraint # added constraint: constraint((T0347)K60.CB, (T0347)A89.CB) [> 4.3089 = 7.1814 < 9.3359] w=0.2913 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)F99.CB) [> 3.2973 = 5.4954 < 7.1441] w=0.2836 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)H69.CB) [> 3.7628 = 6.2714 < 8.1528] w=0.2786 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)I66.CB) [> 4.2989 = 7.1648 < 9.3142] w=0.2786 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)V72.CB) [> 4.4182 = 7.3637 < 9.5728] w=0.2786 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)D67.CB) [> 3.2684 = 5.4473 < 7.0815] w=0.2786 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)Y64.CB) [> 3.9371 = 6.5618 < 8.5303] w=0.2737 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)S86.CB) [> 4.1447 = 6.9078 < 8.9802] w=0.2713 to align # Constraint # added constraint: constraint((T0347)A140.CB, (T0347)F159.CB) [> 3.5819 = 5.9698 < 7.7607] w=0.2657 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)V72.CB) [> 4.0976 = 6.8293 < 8.8781] w=0.2655 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)T85.CB) [> 3.1958 = 5.3263 < 6.9242] w=0.2655 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)E87.CB) [> 4.5904 = 7.6507 < 9.9459] w=0.2645 to align # Constraint # added constraint: constraint((T0347)D15.CB, (T0347)E81.CB) [> 4.7474 = 7.9124 < 10.2861] w=0.2645 to align # Constraint # added constraint: constraint((T0347)G44.CA, (T0347)V55.CB) [> 4.3593 = 7.2655 < 9.4451] w=0.2637 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)Y110.CB) [> 3.6277 = 6.0461 < 7.8600] w=0.2636 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)Q120.CB) [> 4.0494 = 6.7490 < 8.7736] w=0.2567 to align # Constraint # added constraint: constraint((T0347)G44.CA, (T0347)A57.CB) [> 4.6559 = 7.7598 < 10.0877] w=0.2472 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)A89.CB) [> 4.4531 = 7.4219 < 9.6485] w=0.2469 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)N50.CB) [> 3.0980 = 5.1633 < 6.7122] w=0.2445 to align # Constraint # added constraint: constraint((T0347)N50.CB, (T0347)L84.CB) [> 2.5049 = 4.1749 < 5.4274] w=0.2445 to align # Constraint # added constraint: constraint((T0347)H51.CB, (T0347)D67.CB) [> 3.9160 = 6.5267 < 8.4847] w=0.2445 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)V88.CB) [> 3.7246 = 6.2078 < 8.0701] w=0.2445 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)S86.CB) [> 3.9757 = 6.6262 < 8.6140] w=0.2399 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)S86.CB) [> 3.4748 = 5.7914 < 7.5289] w=0.2399 to align # Constraint # added constraint: constraint((T0347)H68.CB, (T0347)V83.CB) [> 4.0710 = 6.7850 < 8.8205] w=0.2392 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)L108.CB) [> 4.0133 = 6.6889 < 8.6956] w=0.2387 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)E87.CB) [> 4.3344 = 7.2239 < 9.3911] w=0.2372 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)V88.CB) [> 3.5334 = 5.8891 < 7.6558] w=0.2350 to align # Constraint # added constraint: constraint((T0347)R62.CB, (T0347)E87.CB) [> 2.8626 = 4.7710 < 6.2023] w=0.2350 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)F99.CB) [> 3.8456 = 6.4093 < 8.3322] w=0.2341 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)P111.CB) [> 4.1420 = 6.9033 < 8.9743] w=0.2312 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)P111.CB) [> 4.5195 = 7.5324 < 9.7922] w=0.2306 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)P111.CB) [> 3.7288 = 6.2146 < 8.0790] w=0.2295 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)A181.CB) [> 3.9811 = 6.6352 < 8.6257] w=0.2259 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)A89.CB) [> 4.4772 = 7.4621 < 9.7007] w=0.2241 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)L165.CB) [> 3.8474 = 6.4123 < 8.3360] w=0.2237 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)L139.CB) [> 3.5638 = 5.9397 < 7.7216] w=0.2208 to align # Constraint # added constraint: constraint((T0347)D61.CB, (T0347)K90.CB) [> 3.8963 = 6.4938 < 8.4420] w=0.2206 to align # Constraint # added constraint: constraint((T0347)N107.CB, (T0347)S177.CB) [> 4.4197 = 7.3662 < 9.5760] w=0.2206 to align # Constraint # added constraint: constraint((T0347)R118.CB, (T0347)P135.CB) [> 3.5797 = 5.9661 < 7.7560] w=0.2166 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)L73.CB) [> 3.9287 = 6.5478 < 8.5121] w=0.2154 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)H70.CB) [> 3.2966 = 5.4944 < 7.1427] w=0.2154 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)L94.CB) [> 3.7743 = 6.2906 < 8.1777] w=0.2148 to align # Constraint # added constraint: constraint((T0347)A63.CB, (T0347)L84.CB) [> 4.2224 = 7.0373 < 9.1485] w=0.2146 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)F99.CB) [> 3.6523 = 6.0872 < 7.9134] w=0.2138 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)P111.CB) [> 3.6733 = 6.1222 < 7.9588] w=0.2128 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)A63.CB) [> 3.7663 = 6.2772 < 8.1603] w=0.2115 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F136.CB) [> 3.0322 = 5.0537 < 6.5698] w=0.2112 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)A142.CB) [> 3.7199 = 6.1998 < 8.0598] w=0.2112 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V72.CB) [> 4.3397 = 7.2329 < 9.4028] w=0.2105 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)L73.CB) [> 3.9427 = 6.5712 < 8.5426] w=0.2105 to align # Constraint # added constraint: constraint((T0347)I52.CB, (T0347)D67.CB) [> 4.7615 = 7.9359 < 10.3166] w=0.2103 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)H69.CB) [> 2.5230 = 4.2050 < 5.4665] w=0.2103 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)M103.CB) [> 4.1023 = 6.8372 < 8.8884] w=0.2103 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)Y110.CB) [> 4.2646 = 7.1077 < 9.2400] w=0.2096 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)I52.CB) [> 2.9807 = 4.9678 < 6.4581] w=0.2090 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)I109.CB) [> 4.1302 = 6.8837 < 8.9488] w=0.2069 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)R106.CB) [> 3.6016 = 6.0027 < 7.8035] w=0.2069 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)N107.CB) [> 2.8000 = 4.6667 < 6.0667] w=0.2069 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)N107.CB) [> 3.6835 = 6.1392 < 7.9810] w=0.2069 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)N107.CB) [> 3.5389 = 5.8981 < 7.6676] w=0.2069 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)I109.CB) [> 4.4152 = 7.3587 < 9.5663] w=0.2069 to align # Constraint # added constraint: constraint((T0347)S76.CB, (T0347)L165.CB) [> 3.5763 = 5.9605 < 7.7487] w=0.2028 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)M103.CB) [> 3.9769 = 6.6281 < 8.6165] w=0.2002 to align # Constraint # added constraint: constraint((T0347)A150.CB, (T0347)A162.CB) [> 2.5338 = 4.2230 < 5.4899] w=0.1987 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)D180.CB) [> 3.3408 = 5.5680 < 7.2383] w=0.1987 to align # Constraint # added constraint: constraint((T0347)M103.CB, (T0347)S121.CB) [> 3.5729 = 5.9549 < 7.7413] w=0.1986 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)S121.CB) [> 4.1314 = 6.8856 < 8.9513] w=0.1986 to align # Constraint # added constraint: constraint((T0347)V102.CB, (T0347)R168.CB) [> 3.8324 = 6.3874 < 8.3036] w=0.1983 to align # Constraint # added constraint: constraint((T0347)M103.CB, (T0347)F164.CB) [> 3.4274 = 5.7123 < 7.4261] w=0.1983 to align # Constraint # added constraint: constraint((T0347)L48.CB, (T0347)L71.CB) [> 3.9269 = 6.5448 < 8.5083] w=0.1933 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)V72.CB) [> 3.8054 = 6.3422 < 8.2449] w=0.1929 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)I109.CB) [> 4.5295 = 7.5492 < 9.8140] w=0.1920 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)P54.CB) [> 3.7724 = 6.2873 < 8.1735] w=0.1903 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V56.CB) [> 3.2245 = 5.3742 < 6.9865] w=0.1903 to align # Constraint # added constraint: constraint((T0347)E28.CB, (T0347)L94.CB) [> 3.4574 = 5.7623 < 7.4910] w=0.1903 to align # Constraint # added constraint: constraint((T0347)E28.CB, (T0347)F99.CB) [> 3.9603 = 6.6006 < 8.5807] w=0.1903 to align # Constraint # added constraint: constraint((T0347)R33.CB, (T0347)V53.CB) [> 3.7644 = 6.2741 < 8.1563] w=0.1903 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)A57.CB) [> 4.0801 = 6.8001 < 8.8402] w=0.1903 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)L75.CB) [> 3.8768 = 6.4613 < 8.3997] w=0.1903 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)E87.CB) [> 3.1012 = 5.1686 < 6.7192] w=0.1891 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)V102.CB) [> 4.1606 = 6.9343 < 9.0146] w=0.1872 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)F99.CB) [> 4.1092 = 6.8486 < 8.9032] w=0.1872 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)F99.CB) [> 3.3913 = 5.6522 < 7.3478] w=0.1872 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)K96.CB) [> 4.1698 = 6.9496 < 9.0345] w=0.1872 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)L139.CB) [> 4.4500 = 7.4167 < 9.6417] w=0.1853 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)L143.CB) [> 4.7136 = 7.8560 < 10.2128] w=0.1853 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)E78.CB) [> 3.0346 = 5.0576 < 6.5749] w=0.1850 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)P111.CB) [> 3.5189 = 5.8648 < 7.6242] w=0.1813 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)F112.CB) [> 3.5456 = 5.9093 < 7.6821] w=0.1813 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)F99.CB) [> 3.7885 = 6.3141 < 8.2084] w=0.1812 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)V83.CB) [> 4.1717 = 6.9528 < 9.0387] w=0.1806 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)E87.CB) [> 4.1681 = 6.9469 < 9.0310] w=0.1806 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)P135.CB) [> 3.6999 = 6.1664 < 8.0163] w=0.1799 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)E132.CB) [> 3.9890 = 6.6483 < 8.6428] w=0.1789 to align # Constraint # added constraint: constraint((T0347)F91.CB, (T0347)F112.CB) [> 4.2620 = 7.1034 < 9.2344] w=0.1772 to align # Constraint # added constraint: constraint((T0347)K16.CB, (T0347)R62.CB) [> 3.0768 = 5.1280 < 6.6664] w=0.1748 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)H69.CB) [> 3.6212 = 6.0353 < 7.8460] w=0.1748 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)A140.CB) [> 2.6171 = 4.3618 < 5.6704] w=0.1748 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)V72.CB) [> 3.7603 = 6.2672 < 8.1474] w=0.1746 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)V88.CB) [> 3.9915 = 6.6526 < 8.6483] w=0.1746 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)K32.CB) [> 4.5876 = 7.6459 < 9.9397] w=0.1738 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)S121.CB) [> 3.3519 = 5.5865 < 7.2624] w=0.1718 to align # Constraint # added constraint: constraint((T0347)G44.CA, (T0347)V88.CB) [> 3.8225 = 6.3709 < 8.2822] w=0.1706 to align # Constraint # added constraint: constraint((T0347)N107.CB, (T0347)L174.CB) [> 4.0012 = 6.6687 < 8.6693] w=0.1706 to align # Constraint # added constraint: constraint((T0347)L108.CB, (T0347)L174.CB) [> 3.4227 = 5.7046 < 7.4159] w=0.1706 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)L174.CB) [> 3.6601 = 6.1002 < 7.9302] w=0.1706 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F178.CB) [> 4.5922 = 7.6536 < 9.9497] w=0.1706 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)A142.CB) [> 4.6245 = 7.7075 < 10.0197] w=0.1695 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)F99.CB) [> 4.2417 = 7.0695 < 9.1903] w=0.1687 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)Y110.CB) [> 3.6907 = 6.1512 < 7.9966] w=0.1677 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)I109.CB) [> 3.4055 = 5.6759 < 7.3786] w=0.1677 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)I109.CB) [> 4.0931 = 6.8218 < 8.8683] w=0.1677 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)L84.CB) [> 3.3610 = 5.6017 < 7.2822] w=0.1663 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)V83.CB) [> 4.1850 = 6.9750 < 9.0675] w=0.1663 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)L84.CB) [> 4.0180 = 6.6967 < 8.7057] w=0.1663 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)V102.CB) [> 3.8674 = 6.4457 < 8.3794] w=0.1656 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)Q120.CB) [> 4.1157 = 6.8596 < 8.9174] w=0.1653 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)I109.CB) [> 4.2618 = 7.1029 < 9.2338] w=0.1652 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)D134.CB) [> 2.9019 = 4.8365 < 6.2874] w=0.1639 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)D113.CB) [> 3.4437 = 5.7395 < 7.4613] w=0.1629 to align # Constraint # added constraint: constraint((T0347)V80.CB, (T0347)A142.CB) [> 4.2243 = 7.0405 < 9.1526] w=0.1617 to align # Constraint # added constraint: constraint((T0347)Y149.CB, (T0347)A162.CB) [> 4.1887 = 6.9811 < 9.0755] w=0.1617 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)I109.CB) [> 3.9559 = 6.5931 < 8.5710] w=0.1600 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)V102.CB) [> 3.2690 = 5.4483 < 7.0829] w=0.1578 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)V102.CB) [> 4.2549 = 7.0915 < 9.2189] w=0.1578 to align # Constraint # added constraint: constraint((T0347)L117.CB, (T0347)L131.CB) [> 3.9860 = 6.6434 < 8.6364] w=0.1570 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)I124.CB) [> 3.8767 = 6.4612 < 8.3996] w=0.1568 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)L143.CB) [> 4.3521 = 7.2535 < 9.4295] w=0.1558 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)A142.CB) [> 3.9144 = 6.5240 < 8.4812] w=0.1551 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)V102.CB) [> 4.5797 = 7.6328 < 9.9226] w=0.1534 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)V83.CB) [> 4.1886 = 6.9809 < 9.0752] w=0.1522 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)I109.CB) [> 3.6331 = 6.0551 < 7.8717] w=0.1514 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)P111.CB) [> 4.0788 = 6.7980 < 8.8374] w=0.1502 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)I109.CB) [> 4.6830 = 7.8050 < 10.1466] w=0.1498 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)I153.CB) [> 3.1326 = 5.2209 < 6.7872] w=0.1498 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)I153.CB) [> 3.5848 = 5.9747 < 7.7671] w=0.1498 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)I154.CB) [> 3.8089 = 6.3482 < 8.2527] w=0.1498 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)T85.CB) [> 2.9343 = 4.8905 < 6.3577] w=0.1493 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)L165.CB) [> 4.6842 = 7.8070 < 10.1491] w=0.1483 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)W161.CB) [> 4.2507 = 7.0845 < 9.2099] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H70.CB, (T0347)S157.CB) [> 4.1416 = 6.9026 < 8.9734] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)W161.CB) [> 2.4204 = 4.0339 < 5.2441] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)E158.CB) [> 2.9050 = 4.8417 < 6.2941] w=0.1483 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)S157.CB) [> 3.7324 = 6.2206 < 8.0868] w=0.1483 to align # Constraint # added constraint: constraint((T0347)D67.CB, (T0347)S157.CB) [> 3.4336 = 5.7227 < 7.4395] w=0.1483 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)L71.CB) [> 4.4532 = 7.4221 < 9.6487] w=0.1483 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)L165.CB) [> 2.5968 = 4.3280 < 5.6264] w=0.1483 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)R168.CB) [> 4.6090 = 7.6817 < 9.9862] w=0.1483 to align # Constraint # added constraint: constraint((T0347)S76.CB, (T0347)R168.CB) [> 4.5761 = 7.6268 < 9.9149] w=0.1483 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)F159.CB) [> 3.8039 = 6.3398 < 8.2418] w=0.1483 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)L143.CB) [> 4.4636 = 7.4393 < 9.6711] w=0.1483 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)G148.CA) [> 4.4704 = 7.4506 < 9.6858] w=0.1483 to align # Constraint # added constraint: constraint((T0347)A114.CB, (T0347)A146.CB) [> 4.2666 = 7.1110 < 9.2443] w=0.1483 to align # Constraint # added constraint: constraint((T0347)R137.CB, (T0347)D163.CB) [> 3.3341 = 5.5568 < 7.2239] w=0.1483 to align # Constraint # added constraint: constraint((T0347)A140.CB, (T0347)G160.CA) [> 4.1623 = 6.9371 < 9.0182] w=0.1483 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)V102.CB) [> 4.2053 = 7.0089 < 9.1115] w=0.1483 to align # Constraint # added constraint: constraint((T0347)L165.CB, (T0347)A185.CB) [> 3.6175 = 6.0291 < 7.8378] w=0.1474 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)T85.CB) [> 3.6909 = 6.1515 < 7.9970] w=0.1471 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)I124.CB) [> 4.2961 = 7.1602 < 9.3083] w=0.1461 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)L143.CB) [> 4.3987 = 7.3312 < 9.5305] w=0.1457 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)D113.CB) [> 3.7367 = 6.2278 < 8.0962] w=0.1447 to align # Constraint # added constraint: constraint((T0347)L75.CB, (T0347)L173.CB) [> 4.0813 = 6.8023 < 8.8429] w=0.1446 to align # Constraint # added constraint: constraint((T0347)W100.CB, (T0347)R119.CB) [> 4.3474 = 7.2456 < 9.4193] w=0.1445 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)S121.CB) [> 4.2973 = 7.1623 < 9.3109] w=0.1435 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)S121.CB) [> 3.9224 = 6.5373 < 8.4985] w=0.1435 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)P135.CB) [> 4.0290 = 6.7150 < 8.7294] w=0.1424 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)D133.CB) [> 4.1645 = 6.9408 < 9.0230] w=0.1422 to align # Constraint # added constraint: constraint((T0347)L165.CB, (T0347)F178.CB) [> 3.5340 = 5.8899 < 7.6569] w=0.1421 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)V88.CB) [> 3.7568 = 6.2613 < 8.1397] w=0.1412 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)F136.CB) [> 3.2246 = 5.3743 < 6.9866] w=0.1408 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)I154.CB) [> 3.9378 = 6.5629 < 8.5318] w=0.1398 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)E87.CB) [> 3.5674 = 5.9456 < 7.7293] w=0.1366 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)I66.CB) [> 3.2270 = 5.3783 < 6.9918] w=0.1356 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)I66.CB) [> 4.0291 = 6.7152 < 8.7298] w=0.1356 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)I66.CB) [> 2.7920 = 4.6533 < 6.0493] w=0.1356 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)I66.CB) [> 4.1448 = 6.9081 < 8.9805] w=0.1356 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)P111.CB) [> 4.1419 = 6.9031 < 8.9740] w=0.1355 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)F99.CB) [> 3.2597 = 5.4329 < 7.0627] w=0.1331 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)P135.CB) [> 4.1445 = 6.9075 < 8.9797] w=0.1330 to align # Constraint # added constraint: constraint((T0347)L75.CB, (T0347)L143.CB) [> 4.0070 = 6.6783 < 8.6818] w=0.1325 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)P135.CB) [> 4.1537 = 6.9229 < 8.9998] w=0.1325 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)S138.CB) [> 4.3339 = 7.2231 < 9.3901] w=0.1325 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)S138.CB) [> 3.2008 = 5.3346 < 6.9350] w=0.1325 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)I128.CB) [> 3.8029 = 6.3381 < 8.2396] w=0.1306 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)Y110.CB) [> 4.3195 = 7.1992 < 9.3589] w=0.1285 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)L84.CB) [> 3.6534 = 6.0891 < 7.9158] w=0.1282 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)S138.CB) [> 4.0924 = 6.8206 < 8.8668] w=0.1279 to align # Constraint # added constraint: constraint((T0347)N127.CB, (T0347)A142.CB) [> 3.2834 = 5.4723 < 7.1140] w=0.1279 to align # Constraint # added constraint: constraint((T0347)R27.CB, (T0347)H93.CB) [> 3.1565 = 5.2609 < 6.8392] w=0.1269 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)V88.CB) [> 4.0117 = 6.6861 < 8.6919] w=0.1269 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)E87.CB) [> 3.5653 = 5.9421 < 7.7248] w=0.1269 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)S86.CB) [> 3.2150 = 5.3583 < 6.9658] w=0.1269 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)V102.CB) [> 4.0817 = 6.8029 < 8.8437] w=0.1269 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)F99.CB) [> 4.6871 = 7.8119 < 10.1554] w=0.1269 to align # Constraint # added constraint: constraint((T0347)A23.CB, (T0347)V88.CB) [> 4.2064 = 7.0106 < 9.1138] w=0.1269 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)V88.CB) [> 4.3111 = 7.1851 < 9.3406] w=0.1269 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V24.CB) [> 4.5180 = 7.5300 < 9.7890] w=0.1269 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)T85.CB) [> 4.0613 = 6.7688 < 8.7995] w=0.1268 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)P125.CB) [> 3.3161 = 5.5268 < 7.1849] w=0.1255 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)E158.CB) [> 3.3813 = 5.6354 < 7.3261] w=0.1252 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)D113.CB) [> 4.5376 = 7.5627 < 9.8315] w=0.1252 to align # Constraint # added constraint: constraint((T0347)F91.CB, (T0347)L139.CB) [> 4.3189 = 7.1982 < 9.3577] w=0.1174 to align # Constraint # added constraint: constraint((T0347)L71.CB, (T0347)L173.CB) [> 2.5658 = 4.2764 < 5.5593] w=0.1174 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)H93.CB) [> 4.7118 = 7.8530 < 10.2089] w=0.1174 to align # Constraint # added constraint: constraint((T0347)F47.CB, (T0347)W161.CB) [> 4.4462 = 7.4104 < 9.6335] w=0.1174 to align # Constraint # added constraint: constraint((T0347)G148.CA, (T0347)S157.CB) [> 3.9042 = 6.5070 < 8.4591] w=0.1174 to align # Constraint # added constraint: constraint((T0347)R144.CB, (T0347)S157.CB) [> 3.3506 = 5.5844 < 7.2597] w=0.1174 to align # Constraint # added constraint: constraint((T0347)G141.CA, (T0347)S157.CB) [> 4.6791 = 7.7985 < 10.1380] w=0.1174 to align # Constraint # added constraint: constraint((T0347)F136.CB, (T0347)F159.CB) [> 4.4866 = 7.4776 < 9.7209] w=0.1174 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)A162.CB) [> 3.8869 = 6.4782 < 8.4217] w=0.1165 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)R166.CB) [> 3.3401 = 5.5668 < 7.2369] w=0.1165 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)I169.CB) [> 4.5036 = 7.5061 < 9.7579] w=0.1165 to align # Constraint # added constraint: constraint((T0347)R27.CB, (T0347)I169.CB) [> 3.5594 = 5.9323 < 7.7119] w=0.1165 to align # Constraint # added constraint: constraint((T0347)R106.CB, (T0347)F164.CB) [> 3.4315 = 5.7191 < 7.4349] w=0.1165 to align # Constraint # added constraint: constraint((T0347)F112.CB, (T0347)K151.CB) [> 3.8012 = 6.3353 < 8.2358] w=0.1165 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)V152.CB) [> 3.7574 = 6.2624 < 8.1411] w=0.1151 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)F178.CB) [> 3.2150 = 5.3583 < 6.9657] w=0.1149 to align # Constraint # added constraint: constraint((T0347)R166.CB, (T0347)D179.CB) [> 3.9053 = 6.5088 < 8.4615] w=0.1149 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)P111.CB) [> 4.4829 = 7.4715 < 9.7129] w=0.1131 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)E87.CB) [> 3.7884 = 6.3140 < 8.2082] w=0.1127 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)F91.CB) [> 3.8033 = 6.3389 < 8.2406] w=0.1124 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)K96.CB) [> 4.7977 = 7.9962 < 10.3951] w=0.1111 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)S86.CB) [> 4.0849 = 6.8082 < 8.8506] w=0.1101 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)H129.CB) [> 3.6325 = 6.0541 < 7.8703] w=0.1101 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)I66.CB) [> 4.7943 = 7.9906 < 10.3877] w=0.1081 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)V102.CB) [> 4.3562 = 7.2603 < 9.4384] w=0.1081 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)V102.CB) [> 4.5643 = 7.6071 < 9.8893] w=0.1081 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)L131.CB) [> 3.4917 = 5.8195 < 7.5653] w=0.1065 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)H69.CB) [> 4.7423 = 7.9038 < 10.2749] w=0.1023 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)H69.CB) [> 4.4936 = 7.4893 < 9.7361] w=0.1023 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)V102.CB) [> 3.1129 = 5.1882 < 6.7447] w=0.1001 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)S92.CB) [> 3.1834 = 5.3056 < 6.8973] w=0.1001 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)L65.CB) [> 4.4878 = 7.4797 < 9.7236] w=0.0989 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)I22.CB) [> 2.2891 = 3.8151 < 4.9596] w=0.0989 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)Q21.CB) [> 3.8518 = 6.4196 < 8.3455] w=0.0989 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)Q21.CB) [> 4.0392 = 6.7320 < 8.7516] w=0.0989 to align # Constraint # added constraint: constraint((T0347)L9.CB, (T0347)A23.CB) [> 3.3892 = 5.6487 < 7.3433] w=0.0989 to align # Constraint # added constraint: constraint((T0347)R8.CB, (T0347)A23.CB) [> 4.4532 = 7.4221 < 9.6487] w=0.0989 to align # Constraint # added constraint: constraint((T0347)R144.CB, (T0347)F156.CB) [> 3.6209 = 6.0348 < 7.8452] w=0.0989 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)E158.CB) [> 3.8756 = 6.4593 < 8.3971] w=0.0989 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)E87.CB) [> 3.8871 = 6.4785 < 8.4220] w=0.0989 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)L65.CB) [> 3.8782 = 6.4636 < 8.4027] w=0.0989 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)Y64.CB) [> 1.8448 = 3.0746 < 3.9970] w=0.0989 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)G58.CA) [> 4.5251 = 7.5419 < 9.8045] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)L65.CB) [> 3.5944 = 5.9907 < 7.7879] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)Y64.CB) [> 3.4180 = 5.6966 < 7.4056] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)A63.CB) [> 3.8613 = 6.4354 < 8.3661] w=0.0989 to align # Constraint # added constraint: constraint((T0347)P19.CB, (T0347)R62.CB) [> 3.8924 = 6.4873 < 8.4335] w=0.0989 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)V83.CB) [> 2.9459 = 4.9099 < 6.3828] w=0.0982 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)L84.CB) [> 4.3182 = 7.1969 < 9.3560] w=0.0982 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)P111.CB) [> 4.7160 = 7.8600 < 10.2180] w=0.0964 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)P111.CB) [> 3.4123 = 5.6871 < 7.3932] w=0.0964 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)Y110.CB) [> 3.6888 = 6.1480 < 7.9924] w=0.0964 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)L84.CB) [> 2.8449 = 4.7415 < 6.1639] w=0.0964 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)R119.CB) [> 4.4385 = 7.3975 < 9.6168] w=0.0964 to align # Constraint # added constraint: constraint((T0347)A57.CB, (T0347)I109.CB) [> 4.2485 = 7.0808 < 9.2050] w=0.0960 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)G141.CA) [> 4.2241 = 7.0402 < 9.1523] w=0.0954 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)P111.CB) [> 3.2134 = 5.3556 < 6.9623] w=0.0951 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)L73.CB) [> 4.7061 = 7.8434 < 10.1965] w=0.0938 to align # Constraint # added constraint: constraint((T0347)R27.CB, (T0347)A74.CB) [> 4.3144 = 7.1907 < 9.3479] w=0.0938 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)L73.CB) [> 4.2867 = 7.1445 < 9.2879] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)L75.CB) [> 4.4936 = 7.4893 < 9.7361] w=0.0938 to align # Constraint # added constraint: constraint((T0347)A13.CB, (T0347)L48.CB) [> 4.0411 = 6.7352 < 8.7558] w=0.0938 to align # Constraint # added constraint: constraint((T0347)I12.CB, (T0347)V29.CB) [> 4.7169 = 7.8615 < 10.2199] w=0.0938 to align # Constraint # added constraint: constraint((T0347)S10.CB, (T0347)K41.CB) [> 3.3798 = 5.6330 < 7.3229] w=0.0938 to align # Constraint # added constraint: constraint((T0347)G141.CA, (T0347)K151.CB) [> 4.5591 = 7.5986 < 9.8781] w=0.0938 to align # Constraint # added constraint: constraint((T0347)F136.CB, (T0347)F156.CB) [> 4.6528 = 7.7547 < 10.0810] w=0.0938 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F156.CB) [> 3.1547 = 5.2578 < 6.8351] w=0.0938 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)D133.CB) [> 4.7028 = 7.8379 < 10.1893] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)I109.CB) [> 3.7789 = 6.2981 < 8.1876] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)S86.CB) [> 4.6337 = 7.7229 < 10.0397] w=0.0938 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)V102.CB) [> 4.3429 = 7.2382 < 9.4096] w=0.0938 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)R168.CB) [> 4.3281 = 7.2135 < 9.3776] w=0.0938 to align # Constraint # added constraint: constraint((T0347)K96.CB, (T0347)H129.CB) [> 4.5391 = 7.5652 < 9.8348] w=0.0929 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)G148.CA) [> 3.9601 = 6.6002 < 8.5802] w=0.0929 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)V102.CB) [> 2.9436 = 4.9059 < 6.3777] w=0.0929 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)L182.CB) [> 3.6598 = 6.0997 < 7.9296] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R62.CB, (T0347)F178.CB) [> 3.3693 = 5.6155 < 7.3001] w=0.0929 to align # Constraint # added constraint: constraint((T0347)I169.CB, (T0347)A185.CB) [> 2.6969 = 4.4948 < 5.8433] w=0.0929 to align # Constraint # added constraint: constraint((T0347)I169.CB, (T0347)L182.CB) [> 3.6985 = 6.1641 < 8.0133] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)A189.CB) [> 3.6865 = 6.1442 < 7.9875] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)L188.CB) [> 3.1783 = 5.2972 < 6.8863] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)A185.CB) [> 2.3529 = 3.9215 < 5.0979] w=0.0929 to align # Constraint # added constraint: constraint((T0347)R168.CB, (T0347)E184.CB) [> 4.6918 = 7.8196 < 10.1655] w=0.0929 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)I154.CB) [> 4.2721 = 7.1201 < 9.2562] w=0.0929 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)V88.CB) [> 3.9311 = 6.5518 < 8.5174] w=0.0859 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)F136.CB) [> 3.7070 = 6.1783 < 8.0318] w=0.0839 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)L84.CB) [> 3.7749 = 6.2915 < 8.1789] w=0.0829 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)E87.CB) [> 4.6463 = 7.7439 < 10.0671] w=0.0823 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)H69.CB) [> 2.7321 = 4.5535 < 5.9195] w=0.0817 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)R168.CB) [> 3.6112 = 6.0187 < 7.8243] w=0.0817 to align # Constraint # added constraint: constraint((T0347)G148.CA, (T0347)G160.CA) [> 3.9836 = 6.6394 < 8.6312] w=0.0817 to align # Constraint # added constraint: constraint((T0347)A162.CB, (T0347)L182.CB) [> 3.3928 = 5.6547 < 7.3511] w=0.0817 to align # Constraint # added constraint: constraint((T0347)V55.CB, (T0347)I109.CB) [> 3.2151 = 5.3586 < 6.9661] w=0.0783 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)V83.CB) [> 4.4632 = 7.4387 < 9.6702] w=0.0783 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)Y110.CB) [> 3.9327 = 6.5546 < 8.5210] w=0.0783 to align # Constraint # added constraint: constraint((T0347)P111.CB, (T0347)W161.CB) [> 3.7096 = 6.1826 < 8.0374] w=0.0783 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)F159.CB) [> 3.2645 = 5.4408 < 7.0730] w=0.0783 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)E158.CB) [> 4.1220 = 6.8700 < 8.9311] w=0.0783 to align # Constraint # added constraint: constraint((T0347)P59.CB, (T0347)E87.CB) [> 3.4443 = 5.7404 < 7.4626] w=0.0765 to align # Constraint # added constraint: constraint((T0347)H68.CB, (T0347)P125.CB) [> 4.3404 = 7.2339 < 9.4041] w=0.0754 to align # Constraint # added constraint: constraint((T0347)R18.CB, (T0347)P125.CB) [> 4.2170 = 7.0284 < 9.1369] w=0.0734 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)V53.CB) [> 3.4822 = 5.8036 < 7.5447] w=0.0734 to align # Constraint # added constraint: constraint((T0347)Q21.CB, (T0347)V53.CB) [> 3.5478 = 5.9131 < 7.6870] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)A140.CB) [> 3.1231 = 5.2052 < 6.7667] w=0.0734 to align # Constraint # added constraint: constraint((T0347)P125.CB, (T0347)L139.CB) [> 4.5133 = 7.5221 < 9.7787] w=0.0734 to align # Constraint # added constraint: constraint((T0347)N127.CB, (T0347)S138.CB) [> 3.9905 = 6.6508 < 8.6460] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V53.CB) [> 3.3332 = 5.5553 < 7.2219] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)P54.CB) [> 3.3270 = 5.5451 < 7.2086] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V55.CB) [> 4.5567 = 7.5944 < 9.8728] w=0.0734 to align # Constraint # added constraint: constraint((T0347)I22.CB, (T0347)V56.CB) [> 3.2787 = 5.4645 < 7.1039] w=0.0734 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)V56.CB) [> 3.3740 = 5.6234 < 7.3104] w=0.0734 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)V102.CB) [> 3.4242 = 5.7070 < 7.4191] w=0.0734 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)P111.CB) [> 3.2082 = 5.3469 < 6.9510] w=0.0726 to align # Constraint # added constraint: constraint((T0347)L65.CB, (T0347)P111.CB) [> 4.0029 = 6.6715 < 8.6729] w=0.0726 to align # Constraint # added constraint: constraint((T0347)P59.CB, (T0347)I154.CB) [> 4.0822 = 6.8037 < 8.8448] w=0.0710 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)I154.CB) [> 3.9157 = 6.5262 < 8.4841] w=0.0710 to align # Constraint # added constraint: constraint((T0347)L17.CB, (T0347)E28.CB) [> 2.5850 = 4.3084 < 5.6009] w=0.0682 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)K96.CB) [> 4.7051 = 7.8419 < 10.1945] w=0.0634 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)G95.CA) [> 4.0240 = 6.7067 < 8.7187] w=0.0634 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)L94.CB) [> 3.8399 = 6.3998 < 8.3197] w=0.0634 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)T85.CB) [> 3.9320 = 6.5533 < 8.5194] w=0.0634 to align # Constraint # added constraint: constraint((T0347)I14.CB, (T0347)V88.CB) [> 4.5822 = 7.6370 < 9.9281] w=0.0634 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)H51.CB) [> 3.2300 = 5.3833 < 6.9983] w=0.0634 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)F99.CB) [> 4.6826 = 7.8044 < 10.1457] w=0.0634 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V53.CB) [> 4.1999 = 6.9998 < 9.0997] w=0.0624 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)Y110.CB) [> 2.5600 = 4.2666 < 5.5466] w=0.0624 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)D113.CB) [> 4.6861 = 7.8102 < 10.1532] w=0.0624 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)M186.CB) [> 3.1100 = 5.1834 < 6.7384] w=0.0619 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)A185.CB) [> 4.5660 = 7.6100 < 9.8930] w=0.0619 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)A183.CB) [> 4.7664 = 7.9441 < 10.3273] w=0.0619 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)L182.CB) [> 3.4673 = 5.7789 < 7.5125] w=0.0619 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)M186.CB) [> 4.2601 = 7.1001 < 9.2302] w=0.0619 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)K190.CB) [> 3.5941 = 5.9901 < 7.7872] w=0.0619 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)A189.CB) [> 3.2408 = 5.4014 < 7.0219] w=0.0619 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)M186.CB) [> 3.2014 = 5.3357 < 6.9364] w=0.0619 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)K190.CB) [> 3.5644 = 5.9407 < 7.7230] w=0.0619 to align # Constraint # added constraint: constraint((T0347)R171.CB, (T0347)A185.CB) [> 4.1068 = 6.8447 < 8.8981] w=0.0619 to align # Constraint # added constraint: constraint((T0347)F99.CB, (T0347)N127.CB) [> 2.6887 = 4.4812 < 5.8256] w=0.0619 to align # Constraint # added constraint: constraint((T0347)A89.CB, (T0347)L182.CB) [> 4.2069 = 7.0116 < 9.1150] w=0.0619 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)L84.CB) [> 3.3351 = 5.5585 < 7.2261] w=0.0591 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)V83.CB) [> 4.5521 = 7.5868 < 9.8629] w=0.0591 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)A162.CB) [> 4.7940 = 7.9900 < 10.3869] w=0.0583 to align # Constraint # added constraint: constraint((T0347)P59.CB, (T0347)I153.CB) [> 4.2614 = 7.1023 < 9.2330] w=0.0569 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)I154.CB) [> 3.1990 = 5.3316 < 6.9311] w=0.0569 to align # Constraint # added constraint: constraint((T0347)L188.CB, (T0347)W200.CB) [> 4.7781 = 7.9635 < 10.3525] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)G199.CA) [> 4.1386 = 6.8976 < 8.9669] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)W200.CB) [> 3.1944 = 5.3241 < 6.9213] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)C201.CB) [> 3.0845 = 5.1407 < 6.6830] w=0.0569 to align # Constraint # added constraint: constraint((T0347)A189.CB, (T0347)G202.CA) [> 4.6370 = 7.7283 < 10.0468] w=0.0569 to align # Constraint # added constraint: constraint((T0347)K190.CB, (T0347)G199.CA) [> 3.5971 = 5.9951 < 7.7936] w=0.0569 to align # Constraint # added constraint: constraint((T0347)R192.CB, (T0347)C201.CB) [> 4.7289 = 7.8815 < 10.2460] w=0.0569 to align # Constraint # added constraint: constraint((T0347)F159.CB, (T0347)M186.CB) [> 4.5323 = 7.5538 < 9.8200] w=0.0545 to align # Constraint # added constraint: constraint((T0347)F159.CB, (T0347)A185.CB) [> 4.6323 = 7.7206 < 10.0367] w=0.0545 to align # Constraint # added constraint: constraint((T0347)I154.CB, (T0347)L188.CB) [> 3.6912 = 6.1520 < 7.9976] w=0.0545 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)D113.CB) [> 4.2482 = 7.0803 < 9.2044] w=0.0541 to align # Constraint # added constraint: constraint((T0347)F47.CB, (T0347)L84.CB) [> 3.6906 = 6.1511 < 7.9964] w=0.0499 to align # Constraint # added constraint: constraint((T0347)D113.CB, (T0347)S175.CB) [> 3.4327 = 5.7213 < 7.4376] w=0.0499 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)K96.CB) [> 4.7927 = 7.9879 < 10.3843] w=0.0499 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)E158.CB) [> 3.8453 = 6.4088 < 8.3315] w=0.0494 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)W161.CB) [> 4.5366 = 7.5610 < 9.8294] w=0.0494 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)E158.CB) [> 4.4509 = 7.4182 < 9.6437] w=0.0494 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)G79.CA) [> 3.8572 = 6.4286 < 8.3572] w=0.0482 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)S86.CB) [> 2.7622 = 4.6036 < 5.9847] w=0.0482 to align # Constraint # added constraint: constraint((T0347)E87.CB, (T0347)K96.CB) [> 3.7622 = 6.2703 < 8.1514] w=0.0482 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)R119.CB) [> 4.4873 = 7.4788 < 9.7224] w=0.0482 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)V102.CB) [> 3.5839 = 5.9732 < 7.7651] w=0.0482 to align # Constraint # added constraint: constraint((T0347)V83.CB, (T0347)F99.CB) [> 2.7026 = 4.5043 < 5.8555] w=0.0482 to align # Constraint # added constraint: constraint((T0347)L73.CB, (T0347)I109.CB) [> 2.9394 = 4.8990 < 6.3687] w=0.0482 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)D113.CB) [> 4.0303 = 6.7172 < 8.7324] w=0.0469 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)L117.CB) [> 4.4456 = 7.4093 < 9.6321] w=0.0469 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)R168.CB) [> 4.3149 = 7.1915 < 9.3490] w=0.0469 to align # Constraint # added constraint: constraint((T0347)P155.CB, (T0347)F164.CB) [> 3.1820 = 5.3033 < 6.8943] w=0.0469 to align # Constraint # added constraint: constraint((T0347)I153.CB, (T0347)R168.CB) [> 4.2898 = 7.1497 < 9.2946] w=0.0469 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)R168.CB) [> 4.7267 = 7.8778 < 10.2412] w=0.0469 to align # Constraint # added constraint: constraint((T0347)Y110.CB, (T0347)W161.CB) [> 4.2800 = 7.1333 < 9.2733] w=0.0469 to align # Constraint # added constraint: constraint((T0347)L84.CB, (T0347)D113.CB) [> 3.6907 = 6.1512 < 7.9965] w=0.0424 to align # Constraint # added constraint: constraint((T0347)T85.CB, (T0347)D113.CB) [> 4.6541 = 7.7568 < 10.0838] w=0.0424 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)P111.CB) [> 3.6522 = 6.0869 < 7.9130] w=0.0391 to align # Constraint # added constraint: constraint((T0347)L117.CB, (T0347)R137.CB) [> 3.8664 = 6.4439 < 8.3771] w=0.0391 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)V102.CB) [> 3.8658 = 6.4430 < 8.3758] w=0.0377 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)I109.CB) [> 2.7555 = 4.5925 < 5.9703] w=0.0370 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)Y64.CB) [> 2.7175 = 4.5292 < 5.8879] w=0.0367 to align # Constraint # added constraint: constraint((T0347)V24.CB, (T0347)L84.CB) [> 4.5200 = 7.5333 < 9.7933] w=0.0367 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V83.CB) [> 3.4127 = 5.6878 < 7.3941] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I4.CB, (T0347)F47.CB) [> 3.6170 = 6.0284 < 7.8369] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I4.CB, (T0347)V55.CB) [> 4.4237 = 7.3728 < 9.5847] w=0.0367 to align # Constraint # added constraint: constraint((T0347)T20.CB, (T0347)F91.CB) [> 3.8492 = 6.4154 < 8.3400] w=0.0367 to align # Constraint # added constraint: constraint((T0347)R119.CB, (T0347)A181.CB) [> 2.8014 = 4.6691 < 6.0698] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I124.CB, (T0347)A181.CB) [> 4.7423 = 7.9038 < 10.2749] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)A181.CB) [> 3.0981 = 5.1634 < 6.7125] w=0.0367 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)E184.CB) [> 3.7475 = 6.2458 < 8.1195] w=0.0367 to align # Constraint # added constraint: constraint((T0347)L131.CB, (T0347)A181.CB) [> 2.5340 = 4.2233 < 5.4903] w=0.0367 to align # Constraint # added constraint: constraint((T0347)Y64.CB, (T0347)V102.CB) [> 4.7177 = 7.8628 < 10.2216] w=0.0367 to align # Constraint # added constraint: constraint((T0347)L117.CB, (T0347)F178.CB) [> 4.2612 = 7.1019 < 9.2325] w=0.0367 to align # Constraint # added constraint: constraint((T0347)S86.CB, (T0347)L182.CB) [> 4.1637 = 6.9395 < 9.0213] w=0.0310 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)F99.CB) [> 4.4447 = 7.4078 < 9.6301] w=0.0310 to align # Constraint # added constraint: constraint((T0347)H69.CB, (T0347)V83.CB) [> 4.5105 = 7.5174 < 9.7727] w=0.0310 to align # Constraint # added constraint: constraint((T0347)I109.CB, (T0347)R119.CB) [> 2.8841 = 4.8068 < 6.2488] w=0.0292 to align # Constraint # added constraint: constraint((T0347)L188.CB, (T0347)L197.CB) [> 3.3657 = 5.6096 < 7.2924] w=0.0292 to align # Constraint # added constraint: constraint((T0347)K41.CB, (T0347)V55.CB) [> 2.5331 = 4.2218 < 5.4884] w=0.0283 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)F156.CB) [> 4.2210 = 7.0349 < 9.1454] w=0.0283 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)F156.CB) [> 3.7754 = 6.2923 < 8.1800] w=0.0283 to align # Constraint # added constraint: constraint((T0347)V88.CB, (T0347)P155.CB) [> 4.2341 = 7.0569 < 9.1740] w=0.0283 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)V53.CB) [> 4.3832 = 7.3054 < 9.4970] w=0.0272 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)K41.CB) [> 3.2738 = 5.4563 < 7.0932] w=0.0272 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)V53.CB) [> 3.8335 = 6.3892 < 8.3059] w=0.0272 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)H51.CB) [> 3.9493 = 6.5822 < 8.5569] w=0.0272 to align # Constraint # added constraint: constraint((T0347)G25.CA, (T0347)F47.CB) [> 3.8211 = 6.3685 < 8.2791] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)S177.CB) [> 3.9409 = 6.5682 < 8.5386] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V72.CB, (T0347)A140.CB) [> 2.9717 = 4.9529 < 6.4387] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V53.CB, (T0347)H69.CB) [> 3.7671 = 6.2785 < 8.1620] w=0.0272 to align # Constraint # added constraint: constraint((T0347)V152.CB, (T0347)E193.CB) [> 4.6714 = 7.7856 < 10.1213] w=0.0272 to align # Constraint # added constraint: constraint((T0347)F26.CB, (T0347)V80.CB) [> 3.9659 = 6.6097 < 8.5927] w=0.0200 to align # Constraint # added constraint: constraint((T0347)G58.CA, (T0347)P155.CB) [> 4.6078 = 7.6796 < 9.9835] w=0.0141 to align # Constraint # added constraint: constraint((T0347)V56.CB, (T0347)S86.CB) [> 2.6680 = 4.4467 < 5.7807] w=0.0141 to align # Constraint # added constraint: constraint((T0347)I128.CB, (T0347)L197.CB) [> 3.4428 = 5.7380 < 7.4594] w=0.0141 to align # Constraint # added constraint: constraint((T0347)H129.CB, (T0347)L197.CB) [> 4.4642 = 7.4404 < 9.6725] w=0.0141 to align # Constraint # added constraint: constraint((T0347)L131.CB, (T0347)L197.CB) [> 4.6757 = 7.7928 < 10.1306] w=0.0141 to align # Constraint # added constraint: constraint((T0347)L131.CB, (T0347)P198.CB) [> 4.5762 = 7.6270 < 9.9151] w=0.0141 to align # Constraint # added constraint: constraint((T0347)P54.CB, (T0347)D113.CB) [> 4.5323 = 7.5538 < 9.8199] w=0.0058 to align # SetCost created cost = # ( 1.0000 * align ) # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/constraints_v3/T0347/ # command:# reading script from file servers-clean.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0347/decoys/ # ReadConformPDB reading from PDB file T0347.chimera-renum.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera2-renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera3.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 94 in T0347.chimera3.pdb.gz # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera3_renum.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera4.pdb.gz looking for model 1 WARNING: atom 1 has residue number 1 < previous residue 94 in T0347.chimera4.pdb.gz # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file T0347.chimera4_renum.pdb.gz looking for model 1 # Found a chain break before 200 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file chimera-1-2.pdb.gz looking for model 1 # Found a chain break before 203 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS1 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_POPULUS_TS4 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_POPULUS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS2 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS3 # ReadConformPDB reading from PDB file servers/3D-JIGSAW_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation 3D-JIGSAW_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS1.pdb.gz looking for model 1 # Found a chain break before 166 # 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 130 # 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 189 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS3 # ReadConformPDB reading from PDB file servers/3Dpro_TS4.pdb.gz looking for model 1 # Found a chain break before 59 # copying to AlignedFragments data structure # naming current conformation 3Dpro_TS4 # ReadConformPDB reading from PDB file servers/3Dpro_TS5.pdb.gz looking for model 1 # Found a chain break before 199 # 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 166 # 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 189 # 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 165 # 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 178 # 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 168 # 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 193 # copying to AlignedFragments data structure # naming current conformation BayesHH_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # copying to AlignedFragments data structure # naming current conformation Bilab-ENABLE_TS1 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS2.pdb.gz looking for model 1 # Found a chain break before 204 # 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 204 # 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 # naming current conformation Bilab-ENABLE_TS4 # ReadConformPDB reading from PDB file servers/Bilab-ENABLE_TS5.pdb.gz looking for model 1 # 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 190 # 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 203 # copying to AlignedFragments data structure # naming current conformation CIRCLE_TS2 # ReadConformPDB reading from PDB file servers/CIRCLE_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS3 # ReadConformPDB reading from PDB file servers/CIRCLE_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS4 # ReadConformPDB reading from PDB file servers/CIRCLE_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation CIRCLE_TS5 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation CaspIta-FOX_TS1 # ReadConformPDB reading from PDB file servers/CaspIta-FOX_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS1 # ReadConformPDB reading from PDB file servers/FAMSD_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS2 # ReadConformPDB reading from PDB file servers/FAMSD_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS3 # ReadConformPDB reading from PDB file servers/FAMSD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMSD_TS4 # ReadConformPDB reading from PDB file servers/FAMSD_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 190 # 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 T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS2 # ReadConformPDB reading from PDB file servers/FAMS_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS3 # ReadConformPDB reading from PDB file servers/FAMS_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS4 # ReadConformPDB reading from PDB file servers/FAMS_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FAMS_TS5 # ReadConformPDB reading from PDB file servers/FOLDpro_TS1.pdb.gz looking for model 1 # Found a chain break before 181 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS1 # ReadConformPDB reading from PDB file servers/FOLDpro_TS2.pdb.gz looking for model 1 # naming current conformation FOLDpro_TS2 # ReadConformPDB reading from PDB file servers/FOLDpro_TS3.pdb.gz looking for model 1 # Found a chain break before 142 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS3 # ReadConformPDB reading from PDB file servers/FOLDpro_TS4.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation FOLDpro_TS4 # ReadConformPDB reading from PDB file servers/FOLDpro_TS5.pdb.gz looking for model 1 # Found a chain break before 134 # 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 T0347 can't currently be optimized by undertaker # naming current conformation FORTE1_AL1 # ReadConformPDB reading from PDB file servers/FORTE1_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL1 # ReadConformPDB reading from PDB file servers/FORTE2_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FORTE2_AL4 # ReadConformPDB reading from PDB file servers/FORTE2_AL5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FORTE2_AL5 # ReadConformPDB reading from PDB file servers/FPSOLVER-SERVER_TS1.pdb.gz looking for model 1 # Found a chain break before 204 # 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 204 # 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 204 # 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 204 # 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 156 # copying to AlignedFragments data structure # naming current conformation FPSOLVER-SERVER_TS5 # ReadConformPDB reading from PDB file servers/FUGMOD_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS1 # ReadConformPDB reading from PDB file servers/FUGMOD_TS2.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS2 # ReadConformPDB reading from PDB file servers/FUGMOD_TS3.pdb.gz looking for model 1 # Found a chain break before 144 # copying to AlignedFragments data structure # naming current conformation FUGMOD_TS3 # ReadConformPDB reading from PDB file servers/FUGMOD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUGMOD_TS5 # ReadConformPDB reading from PDB file servers/FUGUE_AL1.pdb.gz looking for model 1 Skipped atom 174, because occupancy 1 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 176, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 178, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 180, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 262, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 264, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 266, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 268, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 286, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 288, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 290, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz Skipped atom 292, because occupancy 1.000 <= existing 1.000 in servers/FUGUE_AL1.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUGUE_AL1 # ReadConformPDB reading from PDB file servers/FUGUE_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUGUE_AL3 # ReadConformPDB reading from PDB file servers/FUGUE_AL4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation FUGUE_AL5 # ReadConformPDB reading from PDB file servers/FUNCTION_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS1 # ReadConformPDB reading from PDB file servers/FUNCTION_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation FUNCTION_TS2 # ReadConformPDB reading from PDB file servers/FUNCTION_TS3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS3 # ReadConformPDB reading from PDB file servers/FUNCTION_TS4.pdb.gz looking for model 1 # Found a chain break before 202 # 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 T0347 can't currently be optimized by undertaker # naming current conformation FUNCTION_TS5 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS1.pdb.gz looking for model 1 # Found a chain break before 50 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS1 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS2.pdb.gz looking for model 1 # Found a chain break before 134 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS2 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS3.pdb.gz looking for model 1 # naming current conformation GeneSilicoMetaServer_TS3 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS4.pdb.gz looking for model 1 # Found a chain break before 5 # copying to AlignedFragments data structure # naming current conformation GeneSilicoMetaServer_TS4 # ReadConformPDB reading from PDB file servers/GeneSilicoMetaServer_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation HHpred1_TS1 # ReadConformPDB reading from PDB file servers/HHpred2_TS1.pdb.gz looking for model 1 # Found a chain break before 175 # 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 175 # 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation Huber-Torda-Server_TS5 # ReadConformPDB reading from PDB file servers/LOOPP_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation LOOPP_TS1 # ReadConformPDB reading from PDB file servers/LOOPP_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation LOOPP_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS2.pdb.gz looking for model 1 # Found a chain break before 16 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS2 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS3.pdb.gz looking for model 1 # Found a chain break before 147 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS3 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS4.pdb.gz looking for model 1 # naming current conformation Ma-OPUS-server2_TS4 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server2_TS5.pdb.gz looking for model 1 # Found a chain break before 152 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server2_TS5 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS1.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation Ma-OPUS-server_TS1 # ReadConformPDB reading from PDB file servers/Ma-OPUS-server_TS2.pdb.gz looking for model 1 # Found a chain break before 181 # 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 65 # 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 185 # 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 169 # 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 198 # 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 202 # 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 204 # 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 198 # 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 201 # 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 # Found a chain break before 135 # 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 181 # 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 192 # 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 170 # 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 203 # 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 190 # copying to AlignedFragments data structure # naming current conformation POMYSL_TS5 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS1.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS2.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS3.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS4.pdb.gz looking for model 1 # naming current conformation PROTINFO-AB_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO-AB_TS5.pdb.gz looking for model 1 # 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 82 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS1 # ReadConformPDB reading from PDB file servers/PROTINFO_TS2.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS2 # ReadConformPDB reading from PDB file servers/PROTINFO_TS3.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS3 # ReadConformPDB reading from PDB file servers/PROTINFO_TS4.pdb.gz looking for model 1 # Found a chain break before 65 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS4 # ReadConformPDB reading from PDB file servers/PROTINFO_TS5.pdb.gz looking for model 1 # Found a chain break before 161 # copying to AlignedFragments data structure # naming current conformation PROTINFO_TS5 # ReadConformPDB reading from PDB file servers/Pcons6_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Pcons6_TS1 # ReadConformPDB reading from PDB file servers/Pcons6_TS2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation Pcons6_TS3 # ReadConformPDB reading from PDB file servers/Pcons6_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation Phyre-1_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS1 # ReadConformPDB reading from PDB file servers/Phyre-2_TS2.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS2 # ReadConformPDB reading from PDB file servers/Phyre-2_TS3.pdb.gz looking for model 1 # Found a chain break before 173 # 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 197 # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS4 # ReadConformPDB reading from PDB file servers/Phyre-2_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation Phyre-2_TS5 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS1.pdb.gz looking for model 1 # Found a chain break before 157 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS1 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS2 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS3.pdb.gz looking for model 1 # Found a chain break before 129 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS3 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS4.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation Pmodeller6_TS4 # ReadConformPDB reading from PDB file servers/Pmodeller6_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 134 # 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 111 # copying to AlignedFragments data structure # naming current conformation RAPTOR-ACE_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS3.pdb.gz looking for model 1 # naming current conformation RAPTOR-ACE_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR-ACE_TS4.pdb.gz looking for model 1 # Found a chain break before 173 # 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 84 # 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 134 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS1 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS2.pdb.gz looking for model 1 # Found a chain break before 58 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS2 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS3.pdb.gz looking for model 1 # Found a chain break before 154 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS3 # ReadConformPDB reading from PDB file servers/RAPTORESS_TS4.pdb.gz looking for model 1 # Found a chain break before 203 # 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 202 # copying to AlignedFragments data structure # naming current conformation RAPTORESS_TS5 # ReadConformPDB reading from PDB file servers/RAPTOR_TS1.pdb.gz looking for model 1 # naming current conformation RAPTOR_TS1 # ReadConformPDB reading from PDB file servers/RAPTOR_TS2.pdb.gz looking for model 1 # Found a chain break before 135 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS2 # ReadConformPDB reading from PDB file servers/RAPTOR_TS3.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS3 # ReadConformPDB reading from PDB file servers/RAPTOR_TS4.pdb.gz looking for model 1 # Found a chain break before 118 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS4 # ReadConformPDB reading from PDB file servers/RAPTOR_TS5.pdb.gz looking for model 1 # Found a chain break before 137 # copying to AlignedFragments data structure # naming current conformation RAPTOR_TS5 # ReadConformPDB reading from PDB file servers/ROBETTA_TS1.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # 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 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS3 # ReadConformPDB reading from PDB file servers/ROBETTA_TS4.pdb.gz looking for model 1 # naming current conformation ROBETTA_TS4 # ReadConformPDB reading from PDB file servers/ROBETTA_TS5.pdb.gz looking for model 1 # Found a chain break before 153 # copying to AlignedFragments data structure # naming current conformation ROBETTA_TS5 # ReadConformPDB reading from PDB file servers/ROKKY_TS1.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)R8.CA and (T0347)R8.CB only 0.000 apart, marking (T0347)R8.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)R18.CA and (T0347)R18.CB only 0.000 apart, marking (T0347)R18.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)E30.CA and (T0347)E30.CB only 0.000 apart, marking (T0347)E30.CB as missing WARNING: atoms too close: (T0347)K32.CA and (T0347)K32.CB only 0.000 apart, marking (T0347)K32.CB as missing WARNING: atoms too close: (T0347)K34.CA and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)I52.CA and (T0347)I52.CB only 0.000 apart, marking (T0347)I52.CB as missing WARNING: atoms too close: (T0347)V55.CA and (T0347)V55.CB only 0.000 apart, marking (T0347)V55.CB as missing WARNING: atoms too close: (T0347)V56.CA and (T0347)V56.CB only 0.000 apart, marking (T0347)V56.CB as missing WARNING: atoms too close: (T0347)R62.CA and (T0347)R62.CB only 0.000 apart, marking (T0347)R62.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)V88.CA and (T0347)V88.CB only 0.000 apart, marking (T0347)V88.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)V102.CA and (T0347)V102.CB only 0.000 apart, marking (T0347)V102.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)A114.CA and (T0347)A114.CB only 0.000 apart, marking (T0347)A114.CB as missing WARNING: atoms too close: (T0347)R118.CA and (T0347)R118.CB only 0.000 apart, marking (T0347)R118.CB as missing WARNING: atoms too close: (T0347)I124.CA and (T0347)I124.CB only 0.000 apart, marking (T0347)I124.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)L143.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)R144.CB only 0.000 apart, marking (T0347)R144.CB as missing WARNING: atoms too close: (T0347)A146.CA and (T0347)A146.CB only 0.000 apart, marking (T0347)A146.CB as missing WARNING: atoms too close: (T0347)P155.CA and (T0347)P155.CB only 0.000 apart, marking (T0347)P155.CB as missing WARNING: atoms too close: (T0347)F156.CA and (T0347)F156.CB only 0.000 apart, marking (T0347)F156.CB as missing WARNING: atoms too close: (T0347)S157.CA and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)D163.CA and (T0347)D163.CB only 0.000 apart, marking (T0347)D163.CB as missing WARNING: atoms too close: (T0347)F164.CA and (T0347)F164.CB only 0.000 apart, marking (T0347)F164.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)F178.CA and (T0347)F178.CB only 0.000 apart, marking (T0347)F178.CB as missing WARNING: atoms too close: (T0347)R192.CA and (T0347)R192.CB only 0.000 apart, marking (T0347)R192.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS1 # ReadConformPDB reading from PDB file servers/ROKKY_TS2.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)L17.CA and (T0347)L17.CB only 0.000 apart, marking (T0347)L17.CB as missing WARNING: atoms too close: (T0347)T20.CA and (T0347)T20.CB only 0.000 apart, marking (T0347)T20.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)W36.CA and (T0347)W36.CB only 0.000 apart, marking (T0347)W36.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)L84.CA and (T0347)L84.CB only 0.000 apart, marking (T0347)L84.CB as missing WARNING: atoms too close: (T0347)E98.CA and (T0347)E98.CB only 0.000 apart, marking (T0347)E98.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)R119.CA and (T0347)R119.CB only 0.000 apart, marking (T0347)R119.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)R144.CB only 0.000 apart, marking (T0347)R144.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)V152.CA and (T0347)V152.CB only 0.000 apart, marking (T0347)V152.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)D180.CA and (T0347)D180.CB only 0.000 apart, marking (T0347)D180.CB as missing WARNING: atoms too close: (T0347)S191.CA and (T0347)S191.CB only 0.000 apart, marking (T0347)S191.CB as missing WARNING: atoms too close: (T0347)E205.CA and (T0347)E205.CB only 0.000 apart, marking (T0347)E205.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS2 # ReadConformPDB reading from PDB file servers/ROKKY_TS3.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)M1.CA and (T0347)M1.CB only 0.000 apart, marking (T0347)M1.CB as missing WARNING: atoms too close: (T0347)P7.CA and (T0347)P7.CB only 0.000 apart, marking (T0347)P7.CB as missing WARNING: atoms too close: (T0347)R11.CA and (T0347)R11.CB only 0.000 apart, marking (T0347)R11.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)P19.CA and (T0347)P19.CB only 0.000 apart, marking (T0347)P19.CB as missing WARNING: atoms too close: (T0347)R27.CA and (T0347)R27.CB only 0.000 apart, marking (T0347)R27.CB as missing WARNING: atoms too close: (T0347)R33.CA and (T0347)R33.CB only 0.000 apart, marking (T0347)R33.CB as missing WARNING: atoms too close: (T0347)K34.CA and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)D45.CA and (T0347)D45.CB only 0.000 apart, marking (T0347)D45.CB as missing WARNING: atoms too close: (T0347)D46.CA and (T0347)D46.CB only 0.000 apart, marking (T0347)D46.CB as missing WARNING: atoms too close: (T0347)L48.CA and (T0347)L48.CB only 0.000 apart, marking (T0347)L48.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)V55.CA and (T0347)V55.CB only 0.000 apart, marking (T0347)V55.CB as missing WARNING: atoms too close: (T0347)P59.CA and (T0347)P59.CB only 0.000 apart, marking (T0347)P59.CB as missing WARNING: atoms too close: (T0347)D61.CA and (T0347)D61.CB only 0.000 apart, marking (T0347)D61.CB as missing WARNING: atoms too close: (T0347)I66.CA and (T0347)I66.CB only 0.000 apart, marking (T0347)I66.CB as missing WARNING: atoms too close: (T0347)H70.CA and (T0347)H70.CB only 0.000 apart, marking (T0347)H70.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)E81.CA and (T0347)E81.CB only 0.000 apart, marking (T0347)E81.CB as missing WARNING: atoms too close: (T0347)S86.CA and (T0347)S86.CB only 0.000 apart, marking (T0347)S86.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)L94.CA and (T0347)L94.CB only 0.000 apart, marking (T0347)L94.CB as missing WARNING: atoms too close: (T0347)E98.CA and (T0347)E98.CB only 0.000 apart, marking (T0347)E98.CB as missing WARNING: atoms too close: (T0347)W100.CA and (T0347)W100.CB only 0.000 apart, marking (T0347)W100.CB as missing WARNING: atoms too close: (T0347)M103.CA and (T0347)M103.CB only 0.000 apart, marking (T0347)M103.CB as missing WARNING: atoms too close: (T0347)D104.CA and (T0347)D104.CB only 0.000 apart, marking (T0347)D104.CB as missing WARNING: atoms too close: (T0347)D113.CA and (T0347)D113.CB only 0.000 apart, marking (T0347)D113.CB as missing WARNING: atoms too close: (T0347)Q115.CA and (T0347)Q115.CB only 0.000 apart, marking (T0347)Q115.CB as missing WARNING: atoms too close: (T0347)Q120.CA and (T0347)Q120.CB only 0.000 apart, marking (T0347)Q120.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)D130.CA and (T0347)D130.CB only 0.000 apart, marking (T0347)D130.CB as missing WARNING: atoms too close: (T0347)L131.CA and (T0347)L131.CB only 0.000 apart, marking (T0347)L131.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)F136.CA and (T0347)F136.CB only 0.000 apart, marking (T0347)F136.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)S138.CA and (T0347)S138.CB only 0.000 apart, marking (T0347)S138.CB as missing WARNING: atoms too close: (T0347)A142.CA and (T0347)A142.CB only 0.000 apart, marking (T0347)A142.CB as missing WARNING: atoms too close: (T0347)Y149.CA and (T0347)Y149.CB only 0.000 apart, marking (T0347)Y149.CB as missing WARNING: atoms too close: (T0347)D163.CA and (T0347)D163.CB only 0.000 apart, marking (T0347)D163.CB as missing WARNING: atoms too close: (T0347)D172.CA and (T0347)D172.CB only 0.000 apart, marking (T0347)D172.CB as missing WARNING: atoms too close: (T0347)S175.CA and (T0347)S175.CB only 0.000 apart, marking (T0347)S175.CB as missing WARNING: atoms too close: (T0347)M186.CA and (T0347)M186.CB only 0.000 apart, marking (T0347)M186.CB as missing WARNING: atoms too close: (T0347)R192.CA and (T0347)R192.CB only 0.000 apart, marking (T0347)R192.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)L197.CA and (T0347)L197.CB only 0.000 apart, marking (T0347)L197.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS3 # ReadConformPDB reading from PDB file servers/ROKKY_TS4.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)T2.CA and (T0347)T2.CB only 0.000 apart, marking (T0347)T2.CB as missing WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)A13.CA and (T0347)A13.CB only 0.000 apart, marking (T0347)A13.CB as missing WARNING: atoms too close: (T0347)I14.CA and (T0347)I14.CB only 0.000 apart, marking (T0347)I14.CB as missing WARNING: atoms too close: (T0347)K16.CA and (T0347)K16.CB only 0.000 apart, marking (T0347)K16.CB as missing WARNING: atoms too close: (T0347)T20.CA and (T0347)T20.CB only 0.000 apart, marking (T0347)T20.CB as missing WARNING: atoms too close: (T0347)A23.CA and (T0347)A23.CB only 0.000 apart, marking (T0347)A23.CB as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)E28.CB only 0.000 apart, marking (T0347)E28.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)K60.CA and (T0347)K60.CB only 0.000 apart, marking (T0347)K60.CB as missing WARNING: atoms too close: (T0347)L65.CA and (T0347)L65.CB only 0.000 apart, marking (T0347)L65.CB as missing WARNING: atoms too close: (T0347)H68.CA and (T0347)H68.CB only 0.000 apart, marking (T0347)H68.CB as missing WARNING: atoms too close: (T0347)L75.CA and (T0347)L75.CB only 0.000 apart, marking (T0347)L75.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)H82.CA and (T0347)H82.CB only 0.000 apart, marking (T0347)H82.CB as missing WARNING: atoms too close: (T0347)H93.CA and (T0347)H93.CB only 0.000 apart, marking (T0347)H93.CB as missing WARNING: atoms too close: (T0347)L94.CA and (T0347)L94.CB only 0.000 apart, marking (T0347)L94.CB as missing WARNING: atoms too close: (T0347)K96.CA and (T0347)K96.CB only 0.000 apart, marking (T0347)K96.CB as missing WARNING: atoms too close: (T0347)S101.CA and (T0347)S101.CB only 0.000 apart, marking (T0347)S101.CB as missing WARNING: atoms too close: (T0347)P111.CA and (T0347)P111.CB only 0.000 apart, marking (T0347)P111.CB as missing WARNING: atoms too close: (T0347)A114.CA and (T0347)A114.CB only 0.000 apart, marking (T0347)A114.CB as missing WARNING: atoms too close: (T0347)S121.CA and (T0347)S121.CB only 0.000 apart, marking (T0347)S121.CB as missing WARNING: atoms too close: (T0347)P125.CA and (T0347)P125.CB only 0.000 apart, marking (T0347)P125.CB as missing WARNING: atoms too close: (T0347)I128.CA and (T0347)I128.CB only 0.000 apart, marking (T0347)I128.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)F136.CA and (T0347)F136.CB only 0.000 apart, marking (T0347)F136.CB as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)R137.CB only 0.000 apart, marking (T0347)R137.CB as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)L143.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)A146.CA and (T0347)A146.CB only 0.000 apart, marking (T0347)A146.CB as missing WARNING: atoms too close: (T0347)A150.CA and (T0347)A150.CB only 0.000 apart, marking (T0347)A150.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)P155.CA and (T0347)P155.CB only 0.000 apart, marking (T0347)P155.CB as missing WARNING: atoms too close: (T0347)F156.CA and (T0347)F156.CB only 0.000 apart, marking (T0347)F156.CB as missing WARNING: atoms too close: (T0347)E158.CA and (T0347)E158.CB only 0.000 apart, marking (T0347)E158.CB as missing WARNING: atoms too close: (T0347)A162.CA and (T0347)A162.CB only 0.000 apart, marking (T0347)A162.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)D172.CA and (T0347)D172.CB only 0.000 apart, marking (T0347)D172.CB as missing WARNING: atoms too close: (T0347)L173.CA and (T0347)L173.CB only 0.000 apart, marking (T0347)L173.CB as missing WARNING: atoms too close: (T0347)F178.CA and (T0347)F178.CB only 0.000 apart, marking (T0347)F178.CB as missing WARNING: atoms too close: (T0347)D180.CA and (T0347)D180.CB only 0.000 apart, marking (T0347)D180.CB as missing WARNING: atoms too close: (T0347)E193.CA and (T0347)E193.CB only 0.000 apart, marking (T0347)E193.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing WARNING: atoms too close: (T0347)E205.CA and (T0347)E205.CB only 0.000 apart, marking (T0347)E205.CB as missing # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # copying to AlignedFragments data structure # naming current conformation ROKKY_TS4 # ReadConformPDB reading from PDB file servers/ROKKY_TS5.pdb.gz looking for model 1 WARNING: atoms too close: (T0347)Y5.CA and (T0347)Y5.CB only 0.000 apart, marking (T0347)Y5.CB as missing WARNING: atoms too close: (T0347)E6.CA and (T0347)E6.CB only 0.000 apart, marking (T0347)E6.CB as missing WARNING: atoms too close: (T0347)R8.CA and (T0347)R8.CB only 0.000 apart, marking (T0347)R8.CB as missing WARNING: atoms too close: (T0347)I12.CA and (T0347)I12.CB only 0.000 apart, marking (T0347)I12.CB as missing WARNING: atoms too close: (T0347)I22.CA and (T0347)I22.CB only 0.000 apart, marking (T0347)I22.CB as missing WARNING: atoms too close: (T0347)E30.CA and (T0347)E30.CB only 0.000 apart, marking (T0347)E30.CB as missing WARNING: atoms too close: (T0347)E38.CA and (T0347)E38.CB only 0.000 apart, marking (T0347)E38.CB as missing WARNING: atoms too close: (T0347)T39.CA and (T0347)T39.CB only 0.000 apart, marking (T0347)T39.CB as missing WARNING: atoms too close: (T0347)R40.CA and (T0347)R40.CB only 0.000 apart, marking (T0347)R40.CB as missing WARNING: atoms too close: (T0347)H51.CA and (T0347)H51.CB only 0.000 apart, marking (T0347)H51.CB as missing WARNING: atoms too close: (T0347)H68.CA and (T0347)H68.CB only 0.000 apart, marking (T0347)H68.CB as missing WARNING: atoms too close: (T0347)H70.CA and (T0347)H70.CB only 0.000 apart, marking (T0347)H70.CB as missing WARNING: atoms too close: (T0347)L73.CA and (T0347)L73.CB only 0.000 apart, marking (T0347)L73.CB as missing WARNING: atoms too close: (T0347)V80.CA and (T0347)V80.CB only 0.000 apart, marking (T0347)V80.CB as missing WARNING: atoms too close: (T0347)E87.CA and (T0347)E87.CB only 0.000 apart, marking (T0347)E87.CB as missing WARNING: atoms too close: (T0347)F91.CA and (T0347)F91.CB only 0.000 apart, marking (T0347)F91.CB as missing WARNING: atoms too close: (T0347)K96.CA and (T0347)K96.CB only 0.000 apart, marking (T0347)K96.CB as missing WARNING: atoms too close: (T0347)D97.CA and (T0347)D97.CB only 0.000 apart, marking (T0347)D97.CB as missing WARNING: atoms too close: (T0347)F99.CA and (T0347)F99.CB only 0.000 apart, marking (T0347)F99.CB as missing WARNING: atoms too close: (T0347)Q120.CA and (T0347)Q120.CB only 0.000 apart, marking (T0347)Q120.CB as missing WARNING: atoms too close: (T0347)E132.CA and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D133.CA and (T0347)D133.CB only 0.000 apart, marking (T0347)D133.CB as missing WARNING: atoms too close: (T0347)D134.CA and (T0347)D134.CB only 0.000 apart, marking (T0347)D134.CB as missing WARNING: atoms too close: (T0347)L139.CA and (T0347)L139.CB only 0.000 apart, marking (T0347)L139.CB as missing WARNING: atoms too close: (T0347)K151.CA and (T0347)K151.CB only 0.000 apart, marking (T0347)K151.CB as missing WARNING: atoms too close: (T0347)V152.CA and (T0347)V152.CB only 0.000 apart, marking (T0347)V152.CB as missing WARNING: atoms too close: (T0347)S157.CA and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)A162.CA and (T0347)A162.CB only 0.000 apart, marking (T0347)A162.CB as missing WARNING: atoms too close: (T0347)R166.CA and (T0347)R166.CB only 0.000 apart, marking (T0347)R166.CB as missing WARNING: atoms too close: (T0347)R171.CA and (T0347)R171.CB only 0.000 apart, marking (T0347)R171.CB as missing WARNING: atoms too close: (T0347)S175.CA and (T0347)S175.CB only 0.000 apart, marking (T0347)S175.CB as missing WARNING: atoms too close: (T0347)D179.CA and (T0347)D179.CB only 0.000 apart, marking (T0347)D179.CB as missing WARNING: atoms too close: (T0347)A194.CA and (T0347)A194.CB only 0.000 apart, marking (T0347)A194.CB as missing WARNING: atoms too close: (T0347)W200.CA and (T0347)W200.CB only 0.000 apart, marking (T0347)W200.CB as missing # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation SAM-T02_AL5 # ReadConformPDB reading from PDB file servers/SAM-T99_AL1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation SAM-T99_AL1 # ReadConformPDB reading from PDB file servers/SAM_T06_server_TS1.pdb.gz looking for model 1 # Found a chain break before 199 # 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 T0347 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 T0347 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 T0347 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 T0347 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 105 # 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 171 # 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 109 # copying to AlignedFragments data structure # naming current conformation SP3_TS3 # ReadConformPDB reading from PDB file servers/SP3_TS4.pdb.gz looking for model 1 # Found a chain break before 173 # copying to AlignedFragments data structure # naming current conformation SP3_TS4 # ReadConformPDB reading from PDB file servers/SP3_TS5.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation SP3_TS5 # ReadConformPDB reading from PDB file servers/SP4_TS1.pdb.gz looking for model 1 # naming current conformation SP4_TS1 # ReadConformPDB reading from PDB file servers/SP4_TS2.pdb.gz looking for model 1 # Found a chain break before 177 # copying to AlignedFragments data structure # naming current conformation SP4_TS2 # ReadConformPDB reading from PDB file servers/SP4_TS3.pdb.gz looking for model 1 # Found a chain break before 169 # copying to AlignedFragments data structure # naming current conformation SP4_TS3 # ReadConformPDB reading from PDB file servers/SP4_TS4.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation SP4_TS4 # ReadConformPDB reading from PDB file servers/SP4_TS5.pdb.gz looking for model 1 # Found a chain break before 107 # 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 135 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS1 # ReadConformPDB reading from PDB file servers/SPARKS2_TS2.pdb.gz looking for model 1 # Found a chain break before 193 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS2 # ReadConformPDB reading from PDB file servers/SPARKS2_TS3.pdb.gz looking for model 1 # Found a chain break before 180 # copying to AlignedFragments data structure # naming current conformation SPARKS2_TS3 # ReadConformPDB reading from PDB file servers/SPARKS2_TS4.pdb.gz looking for model 1 # Found a chain break before 198 # 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 175 # 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_bnmx_TS4 # ReadConformPDB reading from PDB file servers/UNI-EID_bnmx_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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: (T0347)I22.CA and (T0347)E30.CA only 0.000 apart, marking (T0347)E30.CA as missing WARNING: atoms too close: (T0347)A23.N and (T0347)L31.N only 0.000 apart, marking (T0347)L31.N as missing WARNING: atoms too close: (T0347)A23.CA and (T0347)L31.CA only 0.000 apart, marking (T0347)L31.CA as missing WARNING: atoms too close: (T0347)A23.CB and (T0347)L31.CB only 0.000 apart, marking (T0347)L31.CB as missing WARNING: atoms too close: (T0347)A23.O and (T0347)L31.O only 0.000 apart, marking (T0347)L31.O as missing WARNING: atoms too close: (T0347)A23.C and (T0347)L31.C only 0.000 apart, marking (T0347)L31.C as missing WARNING: atoms too close: (T0347)V24.N and (T0347)K32.N only 0.000 apart, marking (T0347)K32.N as missing WARNING: atoms too close: (T0347)V24.CA and (T0347)K32.CA only 0.000 apart, marking (T0347)K32.CA as missing WARNING: atoms too close: (T0347)V24.CB and (T0347)K32.CB only 0.000 apart, marking (T0347)K32.CB as missing WARNING: atoms too close: (T0347)V24.O and (T0347)K32.O only 0.000 apart, marking (T0347)K32.O as missing WARNING: atoms too close: (T0347)V24.C and (T0347)K32.C only 0.000 apart, marking (T0347)K32.C as missing WARNING: atoms too close: (T0347)G25.N and (T0347)R33.N only 0.000 apart, marking (T0347)R33.N as missing WARNING: atoms too close: (T0347)G25.CA and (T0347)R33.CA only 0.000 apart, marking (T0347)R33.CA as missing WARNING: atoms too close: (T0347)G25.O and (T0347)R33.O only 0.000 apart, marking (T0347)R33.O as missing WARNING: atoms too close: (T0347)G25.C and (T0347)R33.C only 0.000 apart, marking (T0347)R33.C as missing WARNING: atoms too close: (T0347)F26.N and (T0347)K34.N only 0.000 apart, marking (T0347)K34.N as missing WARNING: atoms too close: (T0347)F26.CA and (T0347)K34.CA only 0.000 apart, marking (T0347)K34.CA as missing WARNING: atoms too close: (T0347)F26.CB and (T0347)K34.CB only 0.000 apart, marking (T0347)K34.CB as missing WARNING: atoms too close: (T0347)F26.O and (T0347)K34.O only 0.000 apart, marking (T0347)K34.O as missing WARNING: atoms too close: (T0347)F26.C and (T0347)K34.C only 0.000 apart, marking (T0347)K34.C as missing WARNING: atoms too close: (T0347)R27.N and (T0347)E35.N only 0.000 apart, marking (T0347)E35.N as missing WARNING: atoms too close: (T0347)R27.CA and (T0347)E35.CA only 0.000 apart, marking (T0347)E35.CA as missing WARNING: atoms too close: (T0347)R27.CB and (T0347)E35.CB only 0.000 apart, marking (T0347)E35.CB as missing WARNING: atoms too close: (T0347)R27.C and (T0347)E35.C only 0.000 apart, marking (T0347)E35.C as missing WARNING: atoms too close: (T0347)E28.CA and (T0347)W36.CA only 0.000 apart, marking (T0347)W36.CA as missing WARNING: atoms too close: (T0347)V29.CA and (T0347)R37.CA only 0.000 apart, marking (T0347)R37.CA as missing WARNING: atoms too close: (T0347)A89.CA and (T0347)L117.CA only 0.000 apart, marking (T0347)L117.CA as missing WARNING: atoms too close: (T0347)K90.CA and (T0347)R118.CA only 0.000 apart, marking (T0347)R118.CA as missing WARNING: atoms too close: (T0347)V102.CA and (T0347)D130.CA only 0.000 apart, marking (T0347)D130.CA as missing WARNING: atoms too close: (T0347)M103.N and (T0347)L131.N only 0.000 apart, marking (T0347)L131.N as missing WARNING: atoms too close: (T0347)M103.CA and (T0347)L131.CA only 0.000 apart, marking (T0347)L131.CA as missing WARNING: atoms too close: (T0347)M103.CB and (T0347)L131.CB only 0.000 apart, marking (T0347)L131.CB as missing WARNING: atoms too close: (T0347)M103.O and (T0347)L131.O only 0.000 apart, marking (T0347)L131.O as missing WARNING: atoms too close: (T0347)M103.C and (T0347)L131.C only 0.000 apart, marking (T0347)L131.C as missing WARNING: atoms too close: (T0347)D104.N and (T0347)E132.N only 0.000 apart, marking (T0347)E132.N as missing WARNING: atoms too close: (T0347)D104.CA and (T0347)E132.CA only 0.000 apart, marking (T0347)E132.CA as missing WARNING: atoms too close: (T0347)D104.CB and (T0347)E132.CB only 0.000 apart, marking (T0347)E132.CB as missing WARNING: atoms too close: (T0347)D104.C and (T0347)E132.C only 0.000 apart, marking (T0347)E132.C as missing WARNING: atoms too close: (T0347)H105.CA and (T0347)D133.CA only 0.000 apart, marking (T0347)D133.CA as missing WARNING: atoms too close: (T0347)R106.CA and (T0347)P135.CA only 0.000 apart, marking (T0347)P135.CA as missing WARNING: atoms too close: (T0347)R137.CA and (T0347)F156.CA only 0.000 apart, marking (T0347)F156.CA as missing WARNING: atoms too close: (T0347)S138.N and (T0347)S157.N only 0.000 apart, marking (T0347)S157.N as missing WARNING: atoms too close: (T0347)S138.CA and (T0347)S157.CA only 0.000 apart, marking (T0347)S157.CA as missing WARNING: atoms too close: (T0347)S138.CB and (T0347)S157.CB only 0.000 apart, marking (T0347)S157.CB as missing WARNING: atoms too close: (T0347)S138.O and (T0347)S157.O only 0.000 apart, marking (T0347)S157.O as missing WARNING: atoms too close: (T0347)S138.C and (T0347)S157.C only 0.000 apart, marking (T0347)S157.C as missing WARNING: atoms too close: (T0347)L139.N and (T0347)E158.N only 0.000 apart, marking (T0347)E158.N as missing WARNING: atoms too close: (T0347)L139.CA and (T0347)E158.CA only 0.000 apart, marking (T0347)E158.CA as missing WARNING: atoms too close: (T0347)L139.CB and (T0347)E158.CB only 0.000 apart, marking (T0347)E158.CB as missing WARNING: atoms too close: (T0347)L139.O and (T0347)E158.O only 0.000 apart, marking (T0347)E158.O as missing WARNING: atoms too close: (T0347)L139.C and (T0347)E158.C only 0.000 apart, marking (T0347)E158.C as missing WARNING: atoms too close: (T0347)A140.N and (T0347)F159.N only 0.000 apart, marking (T0347)F159.N as missing WARNING: atoms too close: (T0347)A140.CA and (T0347)F159.CA only 0.000 apart, marking (T0347)F159.CA as missing WARNING: atoms too close: (T0347)A140.CB and (T0347)F159.CB only 0.000 apart, marking (T0347)F159.CB as missing WARNING: atoms too close: (T0347)A140.O and (T0347)F159.O only 0.000 apart, marking (T0347)F159.O as missing WARNING: atoms too close: (T0347)A140.C and (T0347)F159.C only 0.000 apart, marking (T0347)F159.C as missing WARNING: atoms too close: (T0347)G141.N and (T0347)G160.N only 0.000 apart, marking (T0347)G160.N as missing WARNING: atoms too close: (T0347)G141.CA and (T0347)G160.CA only 0.000 apart, marking (T0347)G160.CA as missing WARNING: atoms too close: (T0347)G141.O and (T0347)G160.O only 0.000 apart, marking (T0347)G160.O as missing WARNING: atoms too close: (T0347)G141.C and (T0347)G160.C only 0.000 apart, marking (T0347)G160.C as missing WARNING: atoms too close: (T0347)A142.N and (T0347)W161.N only 0.000 apart, marking (T0347)W161.N as missing WARNING: atoms too close: (T0347)A142.CA and (T0347)W161.CA only 0.000 apart, marking (T0347)W161.CA as missing WARNING: atoms too close: (T0347)A142.CB and (T0347)W161.CB only 0.000 apart, marking (T0347)W161.CB as missing WARNING: atoms too close: (T0347)A142.O and (T0347)W161.O only 0.000 apart, marking (T0347)W161.O as missing WARNING: atoms too close: (T0347)A142.C and (T0347)W161.C only 0.000 apart, marking (T0347)W161.C as missing WARNING: atoms too close: (T0347)L143.N and (T0347)A162.N only 0.000 apart, marking (T0347)L143.N as missing WARNING: atoms too close: (T0347)L143.CA and (T0347)A162.CA only 0.000 apart, marking (T0347)L143.CA as missing WARNING: atoms too close: (T0347)L143.CB and (T0347)A162.CB only 0.000 apart, marking (T0347)L143.CB as missing WARNING: atoms too close: (T0347)L143.C and (T0347)A162.C only 0.000 apart, marking (T0347)L143.C as missing WARNING: atoms too close: (T0347)R144.CA and (T0347)D163.CA only 0.000 apart, marking (T0347)D163.CA as missing WARNING: atoms too close: (T0347)M145.CA and (T0347)F164.CA only 0.000 apart, marking (T0347)F164.CA as missing # WARNING: incomplete conformation T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL2 # ReadConformPDB reading from PDB file servers/UNI-EID_sfst_AL3.pdb.gz looking for model 1 Skipped atom 26, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 28, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 30, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz Skipped atom 32, because occupancy 1.000 <= existing 1.000 in servers/UNI-EID_sfst_AL3.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation UNI-EID_sfst_AL3 # ReadConformPDB reading from PDB file servers/Zhang-Server_TS1.pdb.gz looking for model 1 # Found a chain break before 197 # 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 201 # 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 202 # 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 199 # 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 199 # 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 204 # 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 T0347 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 Skipped atom 163, because occupancy 1.000 <= existing 1.000 in servers/forecast-s_AL1.pdb.gz # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL1 # ReadConformPDB reading from PDB file servers/forecast-s_AL2.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL2 # ReadConformPDB reading from PDB file servers/forecast-s_AL3.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation forecast-s_AL5 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS1.pdb.gz looking for model 1 # naming current conformation karypis.srv.2_TS1 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS2.pdb.gz looking for model 1 # 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 43 # 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 146 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv.2_TS5.pdb.gz looking for model 1 # Found a chain break before 138 # copying to AlignedFragments data structure # naming current conformation karypis.srv.2_TS5 # ReadConformPDB reading from PDB file servers/karypis.srv.4_TS1.pdb.gz looking for model 1 # Found a chain break before 202 # 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: (T0347)L188.O and (T0347)A189.N only 0.000 apart, marking (T0347)A189.N as missing # WARNING: incomplete conformation T0347 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 202 # 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 202 # 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 202 # 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 T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation karypis.srv_TS4 # ReadConformPDB reading from PDB file servers/karypis.srv_TS5.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # 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: atom 387 has residue number 30 < previous residue 92 in servers/mGen-3D_TS1.pdb.gz WARNING: atom 786 has residue number 23 < previous residue 205 in servers/mGen-3D_TS1.pdb.gz # WARNING: incomplete conformation T0347 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 T0347 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 T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS3 # ReadConformPDB reading from PDB file servers/nFOLD_TS4.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 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 T0347 can't currently be optimized by undertaker # naming current conformation nFOLD_TS5 # ReadConformPDB reading from PDB file servers/shub_TS1.pdb.gz looking for model 1 # WARNING: incomplete conformation T0347 can't currently be optimized by undertaker # naming current conformation shub_TS1 # command:Using radius: 8.0000 Metaserver mode NUMB_ALIGNS: 260 model score 0.8556 model score 0.7636 model score 0.8515 model score 0.8515 model score 0.9998 model score 0.9998 model score 0.7606 model score 1.7056 model score 1.7381 model score 1.8253 model score 1.5571 model score 1.5823 model score 1.9422 model score 1.7767 model score 1.7789 model score 1.4663 model score 1.7793 model score 2.2557 model score 2.2594 model score 1.5476 model score 1.7192 model score 1.4274 model score 1.9919 model score 1.2658 model score 2.5356 model score 2.0721 model score 1.4274 model score 1.2658 model score 1.2265 model score 1.4768 model score 1.3709 model score 0.9124 model score 2.1509 model score 2.1311 model score 2.1800 model score 2.3748 model score 1.8374 model score 0.9542 model score 1.8621 model score 1.0011 model score 0.6039 model score 0.6040 model score 1.8508 model score 1.6540 model score 1.8014 model score 1.7881 model score 1.6040 model score 1.2785 model score 1.2785 model score 1.2782 model score 1.2784 model score 1.2783 model score 1.3880 model score 0.6040 model score 1.9694 model score 0.5960 model score 1.2950 model score 0.9542 model score 0.6039 model score 0.6040 model score 0.6040 model score 0.5906 model score 1.5138 model score 2.1067 model score 2.1469 model score 2.3380 model score 2.0367 model score 1.2771 model score 1.2758 model score 1.2788 model score 1.2780 model score 1.2784 model score 1.2771 model score 1.2766 model score 1.2780 model score 1.2784 model score 1.2768 model score 2.1703 model score 2.0942 model score 2.2121 model score 2.2172 model score 2.1738 model score 1.3046 model score 1.8096 model score 1.7717 model score 1.4967 model score 1.2846 model score 1.2775 model score 1.2776 model score 1.2771 model score 1.2771 model score 1.9375 model score 1.0081 model score 0.5906 model score 2.0715 model score 1.8961 model score 2.0954 model score 1.9767 model score 1.9728 model score 2.0670 model score 1.5958 model score 0.8019 model score 0.8756 model score 0.8984 model score 1.5353 model score 2.1304 model score 1.5565 model score 1.6375 model score 1.2681 model score 1.4312 model score 1.8539 model score 2.1438 model score 1.5473 model score 1.4507 model score 2.0476 model score 1.6098 model score 2.0954 model score 1.8548 model score 1.6453 model score 1.6082 model score 1.9834 model score 1.5976 model score 1.6022 model score 1.7031 model score 0.9849 model score 1.2915 model score 1.1273 model score 1.2777 model score 1.4499 model score 2.0379 model score 1.9730 model score 2.1515 model score 2.1266 model score 2.0982 model score 2.3316 model score 1.8930 model score 1.8990 model score 1.8992 model score 1.8836 model score 1.8987 model score 1.8950 model score 2.0630 model score 1.8863 model score 1.8944 model score 1.8863 model score 0.8808 model score 1.6739 model score 1.4712 model score 1.4351 model score 1.6567 model score 1.7309 model score 2.0812 model score 2.0632 model score 2.1392 model score 2.0327 model score 2.0422 model score 0.9040 model score 0.8460 model score 0.9280 model score 0.9773 model score 1.3893 model score 1.7403 model score 1.8905 model score 2.0340 model score 1.6539 model score 2.0331 model score 1.3086 model score 1.8412 model score 1.3775 model score 1.7835 model score 1.7922 model score 1.2993 model score 1.8085 model score 1.3512 model score 1.9109 model score 1.9038 model score 0.8460 model score 1.5095 model score 0.8767 model score 1.6794 model score 0.9773 model score 1.7145 model score 1.7580 model score 1.7444 model score 1.6753 model score 1.7694 model score 1.2776 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.7860 model score 0.7216 model score 1.1911 model score 1.1991 model score 0.3874 model score 2.0102 model score 0.8979 model score 1.9541 model score 1.6539 model score 2.1296 model score 1.8223 model score 1.9940 model score 1.8966 model score 1.8529 model score 2.0791 model score 2.0379 model score 0.9423 model score 1.5695 model score 1.6438 model score 1.9311 model score 1.2779 model score 1.2777 model score 1.2778 model score 1.2771 model score 1.2771 model score 1.9586 model score 1.2771 model score 1.2771 model score 1.2771 model score 0.7015 model score 0.7703 model score 0.8424 model score 0.8260 model score 0.8027 model score 1.7285 model score 1.8861 model score 1.2783 model score 1.2771 model score 1.2771 model score 1.2778 model score 1.2771 model score 2.1632 model score 1.9616 model score 1.7896 model score 2.2886 model score 2.2950 model score 2.1894 model score 2.2256 model score 2.0790 model score 2.4575 model score 2.5254 model score 1.7786 model score 1.2310 model score 1.5809 model score 1.8969 model score 1.5670 model score 1.6398 model score 1.5464 model score 1.4200 model score 2.0084 model score 1.8436 model score 0.7425 model score 1.8065 model score 1.9517 model score 1.9082 model score 1.9459 model score 1.9402 model score 1.8606 weight: 0.8039 eval: 0.8556 min: 0.3874 max: 2.5356 weight: 0.8424 eval: 0.7636 min: 0.3874 max: 2.5356 weight: 0.8056 eval: 0.8515 min: 0.3874 max: 2.5356 weight: 0.8056 eval: 0.8515 min: 0.3874 max: 2.5356 weight: 0.7435 eval: 0.9998 min: 0.3874 max: 2.5356 weight: 0.7435 eval: 0.9998 min: 0.3874 max: 2.5356 weight: 0.8437 eval: 0.7606 min: 0.3874 max: 2.5356 weight: 0.4477 eval: 1.7056 min: 0.3874 max: 2.5356 weight: 0.4341 eval: 1.7381 min: 0.3874 max: 2.5356 weight: 0.3976 eval: 1.8253 min: 0.3874 max: 2.5356 weight: 0.5099 eval: 1.5571 min: 0.3874 max: 2.5356 weight: 0.4994 eval: 1.5823 min: 0.3874 max: 2.5356 weight: 0.3486 eval: 1.9422 min: 0.3874 max: 2.5356 weight: 0.4179 eval: 1.7767 min: 0.3874 max: 2.5356 weight: 0.4170 eval: 1.7789 min: 0.3874 max: 2.5356 weight: 0.5480 eval: 1.4663 min: 0.3874 max: 2.5356 weight: 0.4168 eval: 1.7793 min: 0.3874 max: 2.5356 weight: 0.2173 eval: 2.2557 min: 0.3874 max: 2.5356 weight: 0.2157 eval: 2.2594 min: 0.3874 max: 2.5356 weight: 0.5139 eval: 1.5476 min: 0.3874 max: 2.5356 weight: 0.4420 eval: 1.7192 min: 0.3874 max: 2.5356 weight: 0.5643 eval: 1.4274 min: 0.3874 max: 2.5356 weight: 0.3278 eval: 1.9919 min: 0.3874 max: 2.5356 weight: 0.6320 eval: 1.2658 min: 0.3874 max: 2.5356 weight: 0.1000 eval: 2.5356 min: 0.3874 max: 2.5356 weight: 0.2942 eval: 2.0721 min: 0.3874 max: 2.5356 weight: 0.5643 eval: 1.4274 min: 0.3874 max: 2.5356 weight: 0.6320 eval: 1.2658 min: 0.3874 max: 2.5356 weight: 0.6484 eval: 1.2265 min: 0.3874 max: 2.5356 weight: 0.5436 eval: 1.4768 min: 0.3874 max: 2.5356 weight: 0.5879 eval: 1.3709 min: 0.3874 max: 2.5356 weight: 0.7801 eval: 0.9124 min: 0.3874 max: 2.5356 weight: 0.2611 eval: 2.1509 min: 0.3874 max: 2.5356 weight: 0.2695 eval: 2.1311 min: 0.3874 max: 2.5356 weight: 0.2490 eval: 2.1800 min: 0.3874 max: 2.5356 weight: 0.1674 eval: 2.3748 min: 0.3874 max: 2.5356 weight: 0.3925 eval: 1.8374 min: 0.3874 max: 2.5356 weight: 0.7625 eval: 0.9542 min: 0.3874 max: 2.5356 weight: 0.3822 eval: 1.8621 min: 0.3874 max: 2.5356 weight: 0.7429 eval: 1.0011 min: 0.3874 max: 2.5356 weight: 0.9093 eval: 0.6039 min: 0.3874 max: 2.5356 weight: 0.9093 eval: 0.6040 min: 0.3874 max: 2.5356 weight: 0.3869 eval: 1.8508 min: 0.3874 max: 2.5356 weight: 0.4693 eval: 1.6540 min: 0.3874 max: 2.5356 weight: 0.4076 eval: 1.8014 min: 0.3874 max: 2.5356 weight: 0.4132 eval: 1.7881 min: 0.3874 max: 2.5356 weight: 0.4903 eval: 1.6040 min: 0.3874 max: 2.5356 weight: 0.6267 eval: 1.2785 min: 0.3874 max: 2.5356 weight: 0.6267 eval: 1.2785 min: 0.3874 max: 2.5356 weight: 0.6268 eval: 1.2782 min: 0.3874 max: 2.5356 weight: 0.6267 eval: 1.2784 min: 0.3874 max: 2.5356 weight: 0.6268 eval: 1.2783 min: 0.3874 max: 2.5356 weight: 0.5808 eval: 1.3880 min: 0.3874 max: 2.5356 weight: 0.9093 eval: 0.6040 min: 0.3874 max: 2.5356 weight: 0.3372 eval: 1.9694 min: 0.3874 max: 2.5356 weight: 0.9126 eval: 0.5960 min: 0.3874 max: 2.5356 weight: 0.6198 eval: 1.2950 min: 0.3874 max: 2.5356 weight: 0.7625 eval: 0.9542 min: 0.3874 max: 2.5356 weight: 0.9093 eval: 0.6039 min: 0.3874 max: 2.5356 weight: 0.9093 eval: 0.6040 min: 0.3874 max: 2.5356 weight: 0.9093 eval: 0.6040 min: 0.3874 max: 2.5356 weight: 0.9149 eval: 0.5906 min: 0.3874 max: 2.5356 weight: 0.5281 eval: 1.5138 min: 0.3874 max: 2.5356 weight: 0.2797 eval: 2.1067 min: 0.3874 max: 2.5356 weight: 0.2628 eval: 2.1469 min: 0.3874 max: 2.5356 weight: 0.1828 eval: 2.3380 min: 0.3874 max: 2.5356 weight: 0.3090 eval: 2.0367 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6278 eval: 1.2758 min: 0.3874 max: 2.5356 weight: 0.6266 eval: 1.2788 min: 0.3874 max: 2.5356 weight: 0.6269 eval: 1.2780 min: 0.3874 max: 2.5356 weight: 0.6267 eval: 1.2784 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6275 eval: 1.2766 min: 0.3874 max: 2.5356 weight: 0.6269 eval: 1.2780 min: 0.3874 max: 2.5356 weight: 0.6267 eval: 1.2784 min: 0.3874 max: 2.5356 weight: 0.6274 eval: 1.2768 min: 0.3874 max: 2.5356 weight: 0.2530 eval: 2.1703 min: 0.3874 max: 2.5356 weight: 0.2849 eval: 2.0942 min: 0.3874 max: 2.5356 weight: 0.2355 eval: 2.2121 min: 0.3874 max: 2.5356 weight: 0.2334 eval: 2.2172 min: 0.3874 max: 2.5356 weight: 0.2516 eval: 2.1738 min: 0.3874 max: 2.5356 weight: 0.6157 eval: 1.3046 min: 0.3874 max: 2.5356 weight: 0.4042 eval: 1.8096 min: 0.3874 max: 2.5356 weight: 0.4201 eval: 1.7717 min: 0.3874 max: 2.5356 weight: 0.5352 eval: 1.4967 min: 0.3874 max: 2.5356 weight: 0.6241 eval: 1.2846 min: 0.3874 max: 2.5356 weight: 0.6271 eval: 1.2775 min: 0.3874 max: 2.5356 weight: 0.6271 eval: 1.2776 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.3506 eval: 1.9375 min: 0.3874 max: 2.5356 weight: 0.7400 eval: 1.0081 min: 0.3874 max: 2.5356 weight: 0.9149 eval: 0.5906 min: 0.3874 max: 2.5356 weight: 0.2944 eval: 2.0715 min: 0.3874 max: 2.5356 weight: 0.3679 eval: 1.8961 min: 0.3874 max: 2.5356 weight: 0.2844 eval: 2.0954 min: 0.3874 max: 2.5356 weight: 0.3341 eval: 1.9767 min: 0.3874 max: 2.5356 weight: 0.3358 eval: 1.9728 min: 0.3874 max: 2.5356 weight: 0.2963 eval: 2.0670 min: 0.3874 max: 2.5356 weight: 0.4937 eval: 1.5958 min: 0.3874 max: 2.5356 weight: 0.8263 eval: 0.8019 min: 0.3874 max: 2.5356 weight: 0.7955 eval: 0.8756 min: 0.3874 max: 2.5356 weight: 0.7859 eval: 0.8984 min: 0.3874 max: 2.5356 weight: 0.5191 eval: 1.5353 min: 0.3874 max: 2.5356 weight: 0.2698 eval: 2.1304 min: 0.3874 max: 2.5356 weight: 0.5102 eval: 1.5565 min: 0.3874 max: 2.5356 weight: 0.4763 eval: 1.6375 min: 0.3874 max: 2.5356 weight: 0.6310 eval: 1.2681 min: 0.3874 max: 2.5356 weight: 0.5627 eval: 1.4312 min: 0.3874 max: 2.5356 weight: 0.3856 eval: 1.8539 min: 0.3874 max: 2.5356 weight: 0.2641 eval: 2.1438 min: 0.3874 max: 2.5356 weight: 0.5140 eval: 1.5473 min: 0.3874 max: 2.5356 weight: 0.5545 eval: 1.4507 min: 0.3874 max: 2.5356 weight: 0.3044 eval: 2.0476 min: 0.3874 max: 2.5356 weight: 0.4879 eval: 1.6098 min: 0.3874 max: 2.5356 weight: 0.2844 eval: 2.0954 min: 0.3874 max: 2.5356 weight: 0.3852 eval: 1.8548 min: 0.3874 max: 2.5356 weight: 0.4730 eval: 1.6453 min: 0.3874 max: 2.5356 weight: 0.4885 eval: 1.6082 min: 0.3874 max: 2.5356 weight: 0.3313 eval: 1.9834 min: 0.3874 max: 2.5356 weight: 0.4930 eval: 1.5976 min: 0.3874 max: 2.5356 weight: 0.4910 eval: 1.6022 min: 0.3874 max: 2.5356 weight: 0.4488 eval: 1.7031 min: 0.3874 max: 2.5356 weight: 0.7497 eval: 0.9849 min: 0.3874 max: 2.5356 weight: 0.6212 eval: 1.2915 min: 0.3874 max: 2.5356 weight: 0.6900 eval: 1.1273 min: 0.3874 max: 2.5356 weight: 0.6270 eval: 1.2777 min: 0.3874 max: 2.5356 weight: 0.5549 eval: 1.4499 min: 0.3874 max: 2.5356 weight: 0.3085 eval: 2.0379 min: 0.3874 max: 2.5356 weight: 0.3357 eval: 1.9730 min: 0.3874 max: 2.5356 weight: 0.2609 eval: 2.1515 min: 0.3874 max: 2.5356 weight: 0.2713 eval: 2.1266 min: 0.3874 max: 2.5356 weight: 0.2832 eval: 2.0982 min: 0.3874 max: 2.5356 weight: 0.1854 eval: 2.3316 min: 0.3874 max: 2.5356 weight: 0.3692 eval: 1.8930 min: 0.3874 max: 2.5356 weight: 0.3667 eval: 1.8990 min: 0.3874 max: 2.5356 weight: 0.3666 eval: 1.8992 min: 0.3874 max: 2.5356 weight: 0.3731 eval: 1.8836 min: 0.3874 max: 2.5356 weight: 0.3668 eval: 1.8987 min: 0.3874 max: 2.5356 weight: 0.3684 eval: 1.8950 min: 0.3874 max: 2.5356 weight: 0.2980 eval: 2.0630 min: 0.3874 max: 2.5356 weight: 0.3720 eval: 1.8863 min: 0.3874 max: 2.5356 weight: 0.3686 eval: 1.8944 min: 0.3874 max: 2.5356 weight: 0.3720 eval: 1.8863 min: 0.3874 max: 2.5356 weight: 0.7933 eval: 0.8808 min: 0.3874 max: 2.5356 weight: 0.4610 eval: 1.6739 min: 0.3874 max: 2.5356 weight: 0.5459 eval: 1.4712 min: 0.3874 max: 2.5356 weight: 0.5610 eval: 1.4351 min: 0.3874 max: 2.5356 weight: 0.4682 eval: 1.6567 min: 0.3874 max: 2.5356 weight: 0.4371 eval: 1.7309 min: 0.3874 max: 2.5356 weight: 0.2904 eval: 2.0812 min: 0.3874 max: 2.5356 weight: 0.2979 eval: 2.0632 min: 0.3874 max: 2.5356 weight: 0.2661 eval: 2.1392 min: 0.3874 max: 2.5356 weight: 0.3107 eval: 2.0327 min: 0.3874 max: 2.5356 weight: 0.3067 eval: 2.0422 min: 0.3874 max: 2.5356 weight: 0.7836 eval: 0.9040 min: 0.3874 max: 2.5356 weight: 0.8079 eval: 0.8460 min: 0.3874 max: 2.5356 weight: 0.7735 eval: 0.9280 min: 0.3874 max: 2.5356 weight: 0.7529 eval: 0.9773 min: 0.3874 max: 2.5356 weight: 0.5802 eval: 1.3893 min: 0.3874 max: 2.5356 weight: 0.4332 eval: 1.7403 min: 0.3874 max: 2.5356 weight: 0.3703 eval: 1.8905 min: 0.3874 max: 2.5356 weight: 0.3101 eval: 2.0340 min: 0.3874 max: 2.5356 weight: 0.4694 eval: 1.6539 min: 0.3874 max: 2.5356 weight: 0.3105 eval: 2.0331 min: 0.3874 max: 2.5356 weight: 0.6140 eval: 1.3086 min: 0.3874 max: 2.5356 weight: 0.3909 eval: 1.8412 min: 0.3874 max: 2.5356 weight: 0.5852 eval: 1.3775 min: 0.3874 max: 2.5356 weight: 0.4151 eval: 1.7835 min: 0.3874 max: 2.5356 weight: 0.4114 eval: 1.7922 min: 0.3874 max: 2.5356 weight: 0.6180 eval: 1.2993 min: 0.3874 max: 2.5356 weight: 0.4046 eval: 1.8085 min: 0.3874 max: 2.5356 weight: 0.5962 eval: 1.3512 min: 0.3874 max: 2.5356 weight: 0.3617 eval: 1.9109 min: 0.3874 max: 2.5356 weight: 0.3647 eval: 1.9038 min: 0.3874 max: 2.5356 weight: 0.8079 eval: 0.8460 min: 0.3874 max: 2.5356 weight: 0.5299 eval: 1.5095 min: 0.3874 max: 2.5356 weight: 0.7950 eval: 0.8767 min: 0.3874 max: 2.5356 weight: 0.4587 eval: 1.6794 min: 0.3874 max: 2.5356 weight: 0.7529 eval: 0.9773 min: 0.3874 max: 2.5356 weight: 0.4440 eval: 1.7145 min: 0.3874 max: 2.5356 weight: 0.4258 eval: 1.7580 min: 0.3874 max: 2.5356 weight: 0.4315 eval: 1.7444 min: 0.3874 max: 2.5356 weight: 0.4604 eval: 1.6753 min: 0.3874 max: 2.5356 weight: 0.4210 eval: 1.7694 min: 0.3874 max: 2.5356 weight: 0.6270 eval: 1.2776 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.8330 eval: 0.7860 min: 0.3874 max: 2.5356 weight: 0.8600 eval: 0.7216 min: 0.3874 max: 2.5356 weight: 0.6633 eval: 1.1911 min: 0.3874 max: 2.5356 weight: 0.6599 eval: 1.1991 min: 0.3874 max: 2.5356 weight: 1.0000 eval: 0.3874 min: 0.3874 max: 2.5356 weight: 0.3201 eval: 2.0102 min: 0.3874 max: 2.5356 weight: 0.7861 eval: 0.8979 min: 0.3874 max: 2.5356 weight: 0.3436 eval: 1.9541 min: 0.3874 max: 2.5356 weight: 0.4694 eval: 1.6539 min: 0.3874 max: 2.5356 weight: 0.2701 eval: 2.1296 min: 0.3874 max: 2.5356 weight: 0.3988 eval: 1.8223 min: 0.3874 max: 2.5356 weight: 0.3269 eval: 1.9940 min: 0.3874 max: 2.5356 weight: 0.3677 eval: 1.8966 min: 0.3874 max: 2.5356 weight: 0.3860 eval: 1.8529 min: 0.3874 max: 2.5356 weight: 0.2912 eval: 2.0791 min: 0.3874 max: 2.5356 weight: 0.3085 eval: 2.0379 min: 0.3874 max: 2.5356 weight: 0.7675 eval: 0.9423 min: 0.3874 max: 2.5356 weight: 0.5047 eval: 1.5695 min: 0.3874 max: 2.5356 weight: 0.4736 eval: 1.6438 min: 0.3874 max: 2.5356 weight: 0.3533 eval: 1.9311 min: 0.3874 max: 2.5356 weight: 0.6269 eval: 1.2779 min: 0.3874 max: 2.5356 weight: 0.6270 eval: 1.2777 min: 0.3874 max: 2.5356 weight: 0.6269 eval: 1.2778 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.3417 eval: 1.9586 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.8684 eval: 0.7015 min: 0.3874 max: 2.5356 weight: 0.8396 eval: 0.7703 min: 0.3874 max: 2.5356 weight: 0.8094 eval: 0.8424 min: 0.3874 max: 2.5356 weight: 0.8162 eval: 0.8260 min: 0.3874 max: 2.5356 weight: 0.8260 eval: 0.8027 min: 0.3874 max: 2.5356 weight: 0.4381 eval: 1.7285 min: 0.3874 max: 2.5356 weight: 0.3721 eval: 1.8861 min: 0.3874 max: 2.5356 weight: 0.6268 eval: 1.2783 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.6269 eval: 1.2778 min: 0.3874 max: 2.5356 weight: 0.6273 eval: 1.2771 min: 0.3874 max: 2.5356 weight: 0.2560 eval: 2.1632 min: 0.3874 max: 2.5356 weight: 0.3405 eval: 1.9616 min: 0.3874 max: 2.5356 weight: 0.4125 eval: 1.7896 min: 0.3874 max: 2.5356 weight: 0.2035 eval: 2.2886 min: 0.3874 max: 2.5356 weight: 0.2008 eval: 2.2950 min: 0.3874 max: 2.5356 weight: 0.2450 eval: 2.1894 min: 0.3874 max: 2.5356 weight: 0.2299 eval: 2.2256 min: 0.3874 max: 2.5356 weight: 0.2913 eval: 2.0790 min: 0.3874 max: 2.5356 weight: 0.1327 eval: 2.4575 min: 0.3874 max: 2.5356 weight: 0.1042 eval: 2.5254 min: 0.3874 max: 2.5356 weight: 0.4171 eval: 1.7786 min: 0.3874 max: 2.5356 weight: 0.6466 eval: 1.2310 min: 0.3874 max: 2.5356 weight: 0.5000 eval: 1.5809 min: 0.3874 max: 2.5356 weight: 0.3676 eval: 1.8969 min: 0.3874 max: 2.5356 weight: 0.5058 eval: 1.5670 min: 0.3874 max: 2.5356 weight: 0.4753 eval: 1.6398 min: 0.3874 max: 2.5356 weight: 0.5144 eval: 1.5464 min: 0.3874 max: 2.5356 weight: 0.5674 eval: 1.4200 min: 0.3874 max: 2.5356 weight: 0.3209 eval: 2.0084 min: 0.3874 max: 2.5356 weight: 0.3899 eval: 1.8436 min: 0.3874 max: 2.5356 weight: 0.8513 eval: 0.7425 min: 0.3874 max: 2.5356 weight: 0.4054 eval: 1.8065 min: 0.3874 max: 2.5356 weight: 0.3446 eval: 1.9517 min: 0.3874 max: 2.5356 weight: 0.3629 eval: 1.9082 min: 0.3874 max: 2.5356 weight: 0.3470 eval: 1.9459 min: 0.3874 max: 2.5356 weight: 0.3495 eval: 1.9402 min: 0.3874 max: 2.5356 weight: 0.3828 eval: 1.8606 min: 0.3874 max: 2.5356 Adding 13745 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: -365.6379, CN propb: -365.6379 weights: 0.1911 constraints: 607 # command:Found ConstraintSet # PrintContacts align.constraints_meta02 Number of constraints in align2.constraints 607 # command:Found ConstraintSet # PrintContacts align_bonus.constraints_meta02 Number of constraints in align2.constraints.bonus 607 # command:Found ConstraintSet # PrintContacts rejected.constraints_meta02 Number of constraints in rejected2.constraints 13138 # command:Found ConstraintSet # PrintContacts rejected_bonus.constraints_meta02 Number of constraints in rejected2.constraints.bonus 13138 # 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 13745 # command: