# 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/T0381/ # command:# Making conformation for sequence T0381 numbered 1 through 265 Created new target T0381 from T0381.a2m # command:# Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0381/ # command:# reading script from file constraint-99opt.costfcn # Constraint # added constraint: constraint((T0381)I198.CB, (T0381)I246.CB) [> 4.0625 = 5.0782 < 10.1563] w=0.8639 # Constraint # added constraint: constraint((T0381)M212.CB, (T0381)N228.CB) [> 5.1855 = 6.4818 < 12.9637] w=0.9873 # Constraint # added constraint: constraint((T0381)A96.CB, (T0381)A125.CB) [> 4.9724 = 6.2155 < 12.4311] w=0.8586 # Constraint # added constraint: constraint((T0381)Y123.CB, (T0381)I137.CB) [> 4.4915 = 5.6144 < 11.2287] w=0.8401 # Constraint # added constraint: constraint((T0381)H108.CB, (T0381)V129.CB) [> 4.6043 = 5.7554 < 11.5108] w=0.9773 # Constraint # added constraint: constraint((T0381)I27.CB, (T0381)V66.CB) [> 6.0198 = 7.5247 < 15.0494] w=0.6937 # Constraint # added constraint: constraint((T0381)I198.CB, (T0381)L249.CB) [> 4.9947 = 6.2434 < 12.4869] w=0.8330 # Constraint # added constraint: constraint((T0381)V107.CB, (T0381)L245.CB) [> 4.8262 = 6.0328 < 12.0655] w=0.8334 # Constraint # added constraint: constraint((T0381)I180.CB, (T0381)E204.CB) [> 5.3031 = 6.6288 < 13.2577] w=0.9861 # Constraint # added constraint: constraint((T0381)A156.CB, (T0381)V193.CB) [> 3.1537 = 3.9421 < 7.8843] w=0.9849 # Constraint # added constraint: constraint((T0381)I216.CB, (T0381)I256.CB) [> 4.1325 = 5.1656 < 10.3312] w=0.9465 # Constraint # added constraint: constraint((T0381)L24.CB, (T0381)V66.CB) [> 6.0744 = 7.5930 < 15.1860] w=0.0876 # Constraint # added constraint: constraint((T0381)V200.CB, (T0381)L241.CB) [> 5.2150 = 6.5188 < 13.0375] w=0.6783 # Constraint # added constraint: constraint((T0381)F30.CB, (T0381)L80.CB) [> 5.1152 = 6.3940 < 12.7879] w=0.0067 # Constraint # added constraint: constraint((T0381)I198.CB, (T0381)A214.CB) [> 3.8348 = 4.7934 < 9.5869] w=0.9897 # Constraint # added constraint: constraint((T0381)L103.CB, (T0381)I229.CB) [> 5.3470 = 6.6837 < 13.3675] w=0.9807 # Constraint # added constraint: constraint((T0381)T148.CB, (T0381)L205.CB) [> 4.5534 = 5.6918 < 11.3836] w=0.9710 # Constraint # added constraint: constraint((T0381)L24.CB, (T0381)L60.CB) [> 5.8051 = 7.2564 < 14.5128] w=0.0989 # Constraint # added constraint: constraint((T0381)A156.CB, (T0381)R194.CB) [> 3.6978 = 4.6223 < 9.2446] w=0.9852 # Constraint # added constraint: constraint((T0381)Y16.CB, (T0381)T46.CB) [> 5.1800 = 6.4751 < 12.9501] w=0.0442 # Constraint # added constraint: constraint((T0381)R126.CB, (T0381)I137.CB) [> 5.3635 = 6.7044 < 13.4088] w=0.8192 # Constraint # added constraint: constraint((T0381)I121.CB, (T0381)R142.CB) [> 5.5366 = 6.9207 < 13.8414] w=0.9771 # Constraint # added constraint: constraint((T0381)Y236.CB, (T0381)L245.CB) [> 5.7297 = 7.1621 < 14.3242] w=0.5051 # Constraint # added constraint: constraint((T0381)V124.CB, (T0381)A225.CB) [> 5.7557 = 7.1946 < 14.3893] w=0.5671 # Constraint # added constraint: constraint((T0381)V153.CB, (T0381)A213.CB) [> 3.6364 = 4.5455 < 9.0909] w=0.9845 # Constraint # added constraint: constraint((T0381)V153.CB, (T0381)C199.CB) [> 3.6310 = 4.5388 < 9.0775] w=0.9845 # Constraint # added constraint: constraint((T0381)Q97.CB, (T0381)A125.CB) [> 5.1961 = 6.4951 < 12.9902] w=0.8349 # Constraint # added constraint: constraint((T0381)S111.CB, (T0381)V227.CB) [> 5.5546 = 6.9432 < 13.8864] w=0.9811 # Constraint # added constraint: constraint((T0381)V107.CB, (T0381)D244.CB) [> 5.5257 = 6.9071 < 13.8143] w=0.3332 # Constraint # added constraint: constraint((T0381)A21.CB, (T0381)Y86.CB) [> 4.0282 = 5.0352 < 10.0704] w=0.0644 # Constraint # added constraint: constraint((T0381)I229.CB, (T0381)L245.CB) [> 4.4482 = 5.5603 < 11.1205] w=0.8436 # Constraint # added constraint: constraint((T0381)L154.CB, (T0381)A225.CB) [> 5.9830 = 7.4788 < 14.9576] w=0.7111 # Constraint # added constraint: constraint((T0381)R210.CB, (T0381)S230.CB) [> 5.6644 = 7.0805 < 14.1610] w=0.9854 # Constraint # added constraint: constraint((T0381)A219.CB, (T0381)L260.CB) [> 5.0307 = 6.2884 < 12.5769] w=0.6710 # Constraint # added constraint: constraint((T0381)P215.CB, (T0381)L238.CB) [> 4.7726 = 5.9657 < 11.9315] w=0.0031 # Constraint # added constraint: constraint((T0381)S211.CB, (T0381)S230.CB) [> 3.7499 = 4.6874 < 9.3748] w=0.9897 # Constraint # added constraint: constraint((T0381)L201.CB, (T0381)S211.CB) [> 3.5239 = 4.4048 < 8.8097] w=0.8415 # Constraint # added constraint: constraint((T0381)V113.CB, (T0381)Y123.CB) [> 5.7510 = 7.1888 < 14.3776] w=0.9925 # Constraint # added constraint: constraint((T0381)S112.CB, (T0381)V227.CB) [> 5.8617 = 7.3271 < 14.6542] w=0.9809 # Constraint # added constraint: constraint((T0381)F30.CB, (T0381)V66.CB) [> 5.5228 = 6.9035 < 13.8070] w=0.6291 # Constraint # added constraint: constraint((T0381)A214.CB, (T0381)T252.CB) [> 5.4460 = 6.8075 < 13.6150] w=0.5621 # Constraint # added constraint: constraint((T0381)V122.CB, (T0381)T141.CB) [> 5.7504 = 7.1880 < 14.3760] w=0.9778 # Constraint # added constraint: constraint((T0381)Y166.CB, (T0381)L209.CB) [> 4.9753 = 6.2192 < 12.4383] w=0.0008 # Constraint # added constraint: constraint((T0381)L103.CB, (T0381)V227.CB) [> 5.6112 = 7.0140 < 14.0280] w=0.8331 # Constraint # added constraint: constraint((T0381)R178.CB, (T0381)D202.CB) [> 5.0195 = 6.2744 < 12.5487] w=0.9848 # Constraint # added constraint: constraint((T0381)S110.CB, (T0381)R126.CB) [> 5.4307 = 6.7884 < 13.5769] w=0.9839 # Constraint # added constraint: constraint((T0381)L154.CB, (T0381)T223.CB) [> 4.8282 = 6.0352 < 12.0705] w=0.9857 # Constraint # added constraint: constraint((T0381)A147.CB, (T0381)I180.CB) [> 5.7446 = 7.1807 < 14.3615] w=0.9851 # Constraint # added constraint: constraint((T0381)L39.CB, (T0381)R54.CB) [> 4.7070 = 5.8838 < 11.7675] w=0.8633 # Constraint # added constraint: constraint((T0381)A125.CB, (T0381)I139.CB) [> 5.1985 = 6.4981 < 12.9963] w=0.8305 # Constraint # added constraint: constraint((T0381)I115.CB, (T0381)L154.CB) [> 6.0363 = 7.5453 < 15.0907] w=0.4934 # Constraint # added constraint: constraint((T0381)S110.CB, (T0381)I229.CB) [> 5.7810 = 7.2263 < 14.4526] w=0.9805 # Constraint # added constraint: constraint((T0381)V42.CB, (T0381)L80.CB) [> 5.6817 = 7.1022 < 14.2043] w=0.0066 # Constraint # added constraint: constraint((T0381)A147.CB, (T0381)L205.CB) [> 3.9336 = 4.9170 < 9.8339] w=0.9845 # Constraint # added constraint: constraint((T0381)A96.CB, (T0381)V227.CB) [> 5.7981 = 7.2476 < 14.4953] w=0.7041 # Constraint # added constraint: constraint((T0381)H108.CB, (T0381)R131.CB) [> 4.5136 = 5.6420 < 11.2841] w=0.6288 # Constraint # added constraint: constraint((T0381)Y123.CB, (T0381)T138.CB) [> 5.6342 = 7.0427 < 14.0855] w=0.8345 # Constraint # added constraint: constraint((T0381)R194.CB, (T0381)L209.CB) [> 4.8285 = 6.0356 < 12.0713] w=0.0039 # Constraint # added constraint: constraint((T0381)R217.CB, (T0381)A253.CB) [> 6.0640 = 7.5799 < 15.1599] w=0.1390 # Constraint # added constraint: constraint((T0381)V107.CB, (T0381)T231.CB) [> 6.2707 = 7.8384 < 15.6768] w=0.6179 # Constraint # added constraint: constraint((T0381)D117.CB, (T0381)R142.CB) [> 5.8179 = 7.2723 < 14.5447] w=0.6351 # Constraint # added constraint: constraint((T0381)V26.CB, (T0381)V224.CB) [> 5.4796 = 6.8495 < 13.6990] w=0.0121 # Constraint # added constraint: constraint((T0381)S111.CB, (T0381)N228.CB) [> 5.5307 = 6.9133 < 13.8267] w=0.9814 # Constraint # added constraint: constraint((T0381)M150.CB, (T0381)N228.CB) [> 3.9087 = 4.8859 < 9.7719] w=0.9848 # Constraint # added constraint: constraint((T0381)R210.CB, (T0381)Y236.CB) [> 3.4651 = 4.3314 < 8.6627] w=0.6145 # Constraint # added constraint: constraint((T0381)K102.CB, (T0381)T252.CB) [> 5.2054 = 6.5067 < 13.0134] w=0.8159 # Constraint # added constraint: constraint((T0381)L167.CB, (T0381)R183.CB) [> 4.0882 = 5.1103 < 10.2206] w=1.0000 # Constraint # added constraint: constraint((T0381)D120.CB, (T0381)I137.CB) [> 5.1639 = 6.4549 < 12.9098] w=0.0119 # Constraint # added constraint: constraint((T0381)A147.CB, (T0381)L201.CB) [> 5.5852 = 6.9815 < 13.9631] w=0.8396 # Constraint # added constraint: constraint((T0381)V227.CB, (T0381)L249.CB) [> 4.7493 = 5.9367 < 11.8734] w=0.8343 # Constraint # added constraint: constraint((T0381)S112.CB, (T0381)I137.CB) [> 5.4083 = 6.7604 < 13.5208] w=0.8312 # Constraint # added constraint: constraint((T0381)L116.CB, (T0381)A225.CB) [> 5.3271 = 6.6589 < 13.3178] w=0.4860 # Constraint # added constraint: constraint((T0381)L170.CB, (T0381)R183.CB) [> 6.2557 = 7.8196 < 15.6393] w=0.3416 # Constraint # added constraint: constraint((T0381)L92.CB, (T0381)V224.CB) [> 5.3745 = 6.7181 < 13.4363] w=0.8414 # Constraint # added constraint: constraint((T0381)V95.CB, (T0381)D259.CB) [> 4.0459 = 5.0574 < 10.1148] w=0.8704 # Constraint # added constraint: constraint((T0381)Y65.CB, (T0381)R78.CB) [> 4.3064 = 5.3830 < 10.7660] w=0.5542 # Constraint # added constraint: constraint((T0381)V107.CB, (T0381)I229.CB) [> 4.4282 = 5.5352 < 11.0705] w=0.9811 # Constraint # added constraint: constraint((T0381)V113.CB, (T0381)V122.CB) [> 5.5556 = 6.9445 < 13.8890] w=0.0170 # Constraint # added constraint: constraint((T0381)V122.CB, (T0381)I139.CB) [> 5.5351 = 6.9189 < 13.8378] w=0.3787 # Constraint # added constraint: constraint((T0381)L163.CB, (T0381)K187.CB) [> 5.7553 = 7.1941 < 14.3883] w=0.9855 # Constraint # added constraint: constraint((T0381)L163.CB, (T0381)I190.CB) [> 5.6404 = 7.0505 < 14.1011] w=0.9877 # Constraint # added constraint: constraint((T0381)A25.CB, (T0381)F56.CB) [> 5.8163 = 7.2703 < 14.5406] w=0.0261 # Constraint # added constraint: constraint((T0381)I216.CB, (T0381)A226.CB) [> 5.0404 = 6.3005 < 12.6009] w=0.9927 # Constraint # added constraint: constraint((T0381)A214.CB, (T0381)L249.CB) [> 3.7958 = 4.7448 < 9.4896] w=0.9585 # Constraint # added constraint: constraint((T0381)I27.CB, (T0381)Y65.CB) [> 5.2153 = 6.5191 < 13.0382] w=0.6347 # Constraint # added constraint: constraint((T0381)P93.CB, (T0381)A125.CB) [> 4.2547 = 5.3184 < 10.6367] w=0.9741 # Constraint # added constraint: constraint((T0381)Y123.CB, (T0381)L143.CB) [> 5.5577 = 6.9471 < 13.8942] w=0.9799 # Constraint # added constraint: constraint((T0381)I216.CB, (T0381)V227.CB) [> 4.9710 = 6.2138 < 12.4276] w=0.9933 # Constraint # added constraint: constraint((T0381)L24.CB, (T0381)Y86.CB) [> 4.9316 = 6.1645 < 12.3289] w=0.0960 # Constraint # added constraint: constraint((T0381)I172.CB, (T0381)R183.CB) [> 5.7530 = 7.1912 < 14.3825] w=0.6954 # Constraint # added constraint: constraint((T0381)A225.CB, (T0381)I256.CB) [> 6.1042 = 7.6303 < 15.2606] w=0.6425 # Constraint # added constraint: constraint((T0381)A213.CB, (T0381)V227.CB) [> 5.2524 = 6.5655 < 13.1310] w=0.9909 # Constraint # added constraint: constraint((T0381)S112.CB, (T0381)M150.CB) [> 5.5210 = 6.9013 < 13.8026] w=0.9773 # Constraint # added constraint: constraint((T0381)L209.CB, (T0381)S230.CB) [> 5.0719 = 6.3398 < 12.6797] w=0.9845 # Constraint # added constraint: constraint((T0381)S104.CB, (T0381)P128.CB) [> 6.0347 = 7.5434 < 15.0867] w=0.8405 # Constraint # added constraint: constraint((T0381)A119.CB, (T0381)L170.CB) [> 4.3531 = 5.4414 < 10.8827] w=0.8654 # Constraint # added constraint: constraint((T0381)V193.CB, (T0381)A219.CB) [> 5.1766 = 6.4707 < 12.9415] w=0.0041 # Constraint # added constraint: constraint((T0381)S111.CB, (T0381)V127.CB) [> 3.7806 = 4.7257 < 9.4515] w=0.9764 # Constraint # added constraint: constraint((T0381)T148.CB, (T0381)E204.CB) [> 5.8563 = 7.3204 < 14.6408] w=0.8396 # Constraint # added constraint: constraint((T0381)Y16.CB, (T0381)V26.CB) [> 5.0717 = 6.3397 < 12.6794] w=0.0096 # Constraint # added constraint: constraint((T0381)E109.CB, (T0381)V129.CB) [> 4.7834 = 5.9792 < 11.9584] w=0.9730 # Constraint # added constraint: constraint((T0381)I216.CB, (T0381)A253.CB) [> 4.0930 = 5.1163 < 10.2326] w=0.8332 # Constraint # added constraint: constraint((T0381)V95.CB, (T0381)I256.CB) [> 4.7595 = 5.9493 < 11.8987] w=0.7169 # Constraint # added constraint: constraint((T0381)R152.CB, (T0381)A189.CB) [> 5.2129 = 6.5161 < 13.0321] w=0.9845 # Constraint # added constraint: constraint((T0381)L24.CB, (T0381)A96.CB) [> 5.3338 = 6.6673 < 13.3346] w=0.0174 # Constraint # added constraint: constraint((T0381)M212.CB, (T0381)L245.CB) [> 4.2076 = 5.2596 < 10.5191] w=0.9550 # Constraint # added constraint: constraint((T0381)N228.CB, (T0381)L249.CB) [> 5.9134 = 7.3917 < 14.7834] w=0.7179 # Constraint # added constraint: constraint((T0381)A67.CB, (T0381)T76.CB) [> 4.2893 = 5.3617 < 10.7234] w=0.6069 # Constraint # added constraint: constraint((T0381)S19.CB, (T0381)F56.CB) [> 5.8096 = 7.2620 < 14.5240] w=0.4375 # Constraint # added constraint: constraint((T0381)R152.CB, (T0381)A213.CB) [> 5.7463 = 7.1828 < 14.3657] w=0.9845 # Constraint # added constraint: constraint((T0381)A214.CB, (T0381)R250.CB) [> 4.1232 = 5.1539 < 10.3079] w=0.8212 # Constraint # added constraint: constraint((T0381)L20.CB, (T0381)L60.CB) [> 5.2360 = 6.5450 < 13.0900] w=0.1227 # Constraint # added constraint: constraint((T0381)M212.CB, (T0381)I229.CB) [> 3.9991 = 4.9989 < 9.9977] w=0.9891 # Constraint # added constraint: constraint((T0381)L209.CB, (T0381)P232.CB) [> 5.5188 = 6.8985 < 13.7970] w=0.8284 # Constraint # added constraint: constraint((T0381)R28.CB, (T0381)A45.CB) [> 5.6627 = 7.0783 < 14.1566] w=0.0283 # Constraint # added constraint: constraint((T0381)C29.CB, (T0381)V42.CB) [> 4.8810 = 6.1012 < 12.2024] w=0.6559 # Constraint # added constraint: constraint((T0381)V17.CB, (T0381)F56.CB) [> 5.0778 = 6.3473 < 12.6946] w=0.0260 # Constraint # added constraint: constraint((T0381)V224.CB, (T0381)L238.CB) [> 5.1952 = 6.4940 < 12.9879] w=0.0071 # Constraint # added constraint: constraint((T0381)S149.CB, (T0381)N228.CB) [> 4.3386 = 5.4232 < 10.8465] w=0.9845 # Constraint # added constraint: constraint((T0381)V200.CB, (T0381)R210.CB) [> 5.7778 = 7.2223 < 14.4445] w=0.8406 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)V124.CB) [> 5.3600 = 6.7000 < 13.4000] w=0.9829 # Constraint # added constraint: constraint((T0381)I132.CB, (T0381)T231.CB) [> 5.5704 = 6.9629 < 13.9259] w=0.2242 # Constraint # added constraint: constraint((T0381)V26.CB, (T0381)L60.CB) [> 5.5497 = 6.9372 < 13.8743] w=0.6488 # Constraint # added constraint: constraint((T0381)L158.CB, (T0381)T223.CB) [> 5.5520 = 6.9400 < 13.8799] w=0.7109 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)M150.CB) [> 3.2557 = 4.0696 < 8.1392] w=0.9771 # Constraint # added constraint: constraint((T0381)S112.CB, (T0381)N228.CB) [> 3.7019 = 4.6273 < 9.2547] w=0.9809 # Constraint # added constraint: constraint((T0381)L103.CB, (T0381)L245.CB) [> 4.9041 = 6.1301 < 12.2601] w=0.0200 # Constraint # added constraint: constraint((T0381)L20.CB, (T0381)L82.CB) [> 6.0451 = 7.5563 < 15.1126] w=0.0260 # Constraint # added constraint: constraint((T0381)H99.CB, (T0381)I256.CB) [> 4.2452 = 5.3065 < 10.6131] w=0.8060 # Constraint # added constraint: constraint((T0381)T134.CB, (T0381)T231.CB) [> 4.6246 = 5.7808 < 11.5616] w=0.2732 # Constraint # added constraint: constraint((T0381)V113.CB, (T0381)N228.CB) [> 6.1254 = 7.6568 < 15.3135] w=0.7634 # Constraint # added constraint: constraint((T0381)V17.CB, (T0381)T59.CB) [> 5.4555 = 6.8194 < 13.6389] w=0.0193 # Constraint # added constraint: constraint((T0381)L154.CB, (T0381)A226.CB) [> 4.5638 = 5.7048 < 11.4096] w=0.9845 # Constraint # added constraint: constraint((T0381)H99.CB, (T0381)V227.CB) [> 5.9809 = 7.4762 < 14.9523] w=0.8327 # Constraint # added constraint: constraint((T0381)R152.CB, (T0381)V193.CB) [> 4.4743 = 5.5929 < 11.1857] w=0.9851 # Constraint # added constraint: constraint((T0381)I121.CB, (T0381)L143.CB) [> 3.3773 = 4.2217 < 8.4433] w=0.9817 # Constraint # added constraint: constraint((T0381)M212.CB, (T0381)L241.CB) [> 5.1941 = 6.4926 < 12.9852] w=0.9539 # Constraint # added constraint: constraint((T0381)L82.CB, (T0381)V122.CB) [> 5.1375 = 6.4219 < 12.8437] w=0.0163 # Constraint # added constraint: constraint((T0381)A156.CB, (T0381)P215.CB) [> 5.6802 = 7.1002 < 14.2004] w=0.7109 # Constraint # added constraint: constraint((T0381)S40.CB, (T0381)R50.CB) [> 4.9760 = 6.2200 < 12.4400] w=0.8298 # Constraint # added constraint: constraint((T0381)S19.CB, (T0381)T59.CB) [> 4.7206 = 5.9007 < 11.8015] w=0.0318 # Constraint # added constraint: constraint((T0381)E109.CB, (T0381)S230.CB) [> 4.9341 = 6.1676 < 12.3351] w=0.9805 # Constraint # added constraint: constraint((T0381)M150.CB, (T0381)A226.CB) [> 3.2142 = 4.0178 < 8.0355] w=0.9845 # Constraint # added constraint: constraint((T0381)D120.CB, (T0381)L143.CB) [> 5.2655 = 6.5818 < 13.1637] w=0.9424 # Constraint # added constraint: constraint((T0381)W74.CB, (T0381)Y84.CB) [> 5.0110 = 6.2638 < 12.5276] w=0.0102 # Constraint # added constraint: constraint((T0381)V26.CB, (T0381)V42.CB) [> 4.7058 = 5.8823 < 11.7646] w=0.7588 # Constraint # added constraint: constraint((T0381)L175.CB, (T0381)L205.CB) [> 4.5442 = 5.6803 < 11.3605] w=0.9864 # Constraint # added constraint: constraint((T0381)V113.CB, (T0381)V124.CB) [> 4.3266 = 5.4083 < 10.8166] w=0.9895 # Constraint # added constraint: constraint((T0381)R126.CB, (T0381)I139.CB) [> 4.7693 = 5.9616 < 11.9232] w=0.8274 # Constraint # added constraint: constraint((T0381)R210.CB, (T0381)T231.CB) [> 5.0212 = 6.2765 < 12.5529] w=0.8286 # Constraint # added constraint: constraint((T0381)M150.CB, (T0381)S211.CB) [> 5.8157 = 7.2696 < 14.5392] w=0.8396 # Constraint # added constraint: constraint((T0381)A214.CB, (T0381)A226.CB) [> 5.2255 = 6.5318 < 13.0636] w=0.9904 # Constraint # added constraint: constraint((T0381)D202.CB, (T0381)A233.CB) [> 5.6310 = 7.0388 < 14.0776] w=0.5588 # Constraint # added constraint: constraint((T0381)Y146.CB, (T0381)T179.CB) [> 6.1609 = 7.7011 < 15.4021] w=0.7855 # Constraint # added constraint: constraint((T0381)L100.CB, (T0381)A125.CB) [> 5.1271 = 6.4089 < 12.8179] w=0.9803 # Constraint # added constraint: constraint((T0381)L158.CB, (T0381)L222.CB) [> 6.3570 = 7.9463 < 15.8925] w=0.2102 # Constraint # added constraint: constraint((T0381)D202.CB, (T0381)L238.CB) [> 4.7120 = 5.8900 < 11.7799] w=0.3452 # Constraint # added constraint: constraint((T0381)T134.CB, (T0381)L222.CB) [> 3.9834 = 4.9792 < 9.9584] w=0.0009 # Constraint # added constraint: constraint((T0381)Y65.CB, (T0381)L82.CB) [> 5.2786 = 6.5983 < 13.1966] w=0.1366 # Constraint # added constraint: constraint((T0381)V42.CB, (T0381)L57.CB) [> 5.7277 = 7.1596 < 14.3192] w=0.7366 # Constraint # added constraint: constraint((T0381)A213.CB, (T0381)I229.CB) [> 6.1052 = 7.6315 < 15.2630] w=0.9886 # Constraint # added constraint: constraint((T0381)Y65.CB, (T0381)T76.CB) [> 4.5307 = 5.6633 < 11.3267] w=0.6004 # Constraint # added constraint: constraint((T0381)L20.CB, (T0381)T59.CB) [> 5.8034 = 7.2542 < 14.5085] w=0.0700 # Constraint # added constraint: constraint((T0381)S211.CB, (T0381)T231.CB) [> 6.2075 = 7.7594 < 15.5187] w=0.3568 # Constraint # added constraint: constraint((T0381)L116.CB, (T0381)Y166.CB) [> 6.1933 = 7.7416 < 15.4832] w=0.1497 # Constraint # added constraint: constraint((T0381)A214.CB, (T0381)A253.CB) [> 3.5077 = 4.3846 < 8.7692] w=0.8429 # Constraint # added constraint: constraint((T0381)K106.CB, (T0381)S248.CB) [> 4.3517 = 5.4396 < 10.8793] w=0.8195 # Constraint # added constraint: constraint((T0381)V113.CB, (T0381)A226.CB) [> 5.9885 = 7.4856 < 14.9712] w=0.9820 # Constraint # added constraint: constraint((T0381)I121.CB, (T0381)T148.CB) [> 4.8384 = 6.0480 < 12.0959] w=0.9755 # Constraint # added constraint: constraint((T0381)A96.CB, (T0381)I216.CB) [> 6.0295 = 7.5369 < 15.0738] w=0.5041 # Constraint # added constraint: constraint((T0381)L154.CB, (T0381)P215.CB) [> 5.5741 = 6.9677 < 13.9354] w=0.8408 # Constraint # added constraint: constraint((T0381)I132.CB, (T0381)P232.CB) [> 5.4386 = 6.7982 < 13.5964] w=0.1313 # Constraint # added constraint: constraint((T0381)R131.CB, (T0381)T231.CB) [> 5.6888 = 7.1110 < 14.2220] w=0.3592 # Constraint # added constraint: constraint((T0381)P144.CB, (T0381)L205.CB) [> 5.5972 = 6.9965 < 13.9929] w=0.8401 # Constraint # added constraint: constraint((T0381)V107.CB, (T0381)S248.CB) [> 5.0973 = 6.3716 < 12.7432] w=0.8667 # Constraint # added constraint: constraint((T0381)L100.CB, (T0381)V227.CB) [> 5.6728 = 7.0910 < 14.1820] w=0.9780 # Constraint # added constraint: constraint((T0381)A67.CB, (T0381)P77.CB) [> 5.5494 = 6.9367 < 13.8735] w=0.2307 # Constraint # added constraint: constraint((T0381)I198.CB, (T0381)A213.CB) [> 5.2504 = 6.5630 < 13.1260] w=0.9907 # Constraint # added constraint: constraint((T0381)T138.CB, (T0381)L163.CB) [> 4.9759 = 6.2199 < 12.4399] w=0.0059 # Constraint # added constraint: constraint((T0381)L80.CB, (T0381)V224.CB) [> 4.6832 = 5.8540 < 11.7079] w=0.0018 # Constraint # added constraint: constraint((T0381)L92.CB, (T0381)A225.CB) [> 4.6339 = 5.7924 < 11.5847] w=0.8410 # Constraint # added constraint: constraint((T0381)V26.CB, (T0381)F56.CB) [> 4.2159 = 5.2699 < 10.5399] w=0.6304 # Constraint # added constraint: constraint((T0381)P215.CB, (T0381)A253.CB) [> 5.2499 = 6.5623 < 13.1247] w=0.8212 # Constraint # added constraint: constraint((T0381)T223.CB, (T0381)L241.CB) [> 4.0371 = 5.0464 < 10.0927] w=0.0032 # Constraint # added constraint: constraint((T0381)S149.CB, (T0381)A213.CB) [> 2.8483 = 3.5604 < 7.1207] w=0.9847 # Constraint # added constraint: constraint((T0381)A207.CB, (T0381)A233.CB) [> 6.0326 = 7.5408 < 15.0815] w=0.1350 # Constraint # added constraint: constraint((T0381)Y86.CB, (T0381)I115.CB) [> 6.1924 = 7.7406 < 15.4811] w=0.1015 # Constraint # added constraint: constraint((T0381)L167.CB, (T0381)K187.CB) [> 5.1241 = 6.4052 < 12.8103] w=0.2202 # Constraint # added constraint: constraint((T0381)L92.CB, (T0381)V124.CB) [> 5.8405 = 7.3006 < 14.6012] w=0.7067 # Constraint # added constraint: constraint((T0381)V153.CB, (T0381)A226.CB) [> 3.5816 = 4.4770 < 8.9540] w=0.9845 # Constraint # added constraint: constraint((T0381)S112.CB, (T0381)A125.CB) [> 5.6491 = 7.0613 < 14.1227] w=0.9858 # Constraint # added constraint: constraint((T0381)L155.CB, (T0381)I190.CB) [> 4.4893 = 5.6116 < 11.2232] w=0.9851 # Constraint # added constraint: constraint((T0381)S111.CB, (T0381)R126.CB) [> 5.5809 = 6.9762 < 13.9523] w=0.9864 # Constraint # added constraint: constraint((T0381)L103.CB, (T0381)S248.CB) [> 4.9476 = 6.1844 < 12.3689] w=0.9616 # Constraint # added constraint: constraint((T0381)A119.CB, (T0381)Y166.CB) [> 4.4573 = 5.5716 < 11.1432] w=0.9379 # Constraint # added constraint: constraint((T0381)L60.CB, (T0381)T76.CB) [> 6.1437 = 7.6797 < 15.3593] w=0.2139 # Constraint # added constraint: constraint((T0381)M212.CB, (T0381)Y236.CB) [> 5.9723 = 7.4654 < 14.9309] w=0.4897 # Constraint # added constraint: constraint((T0381)C199.CB, (T0381)M212.CB) [> 5.8076 = 7.2595 < 14.5190] w=0.9869 # Constraint # added constraint: constraint((T0381)A156.CB, (T0381)I190.CB) [> 3.6006 = 4.5008 < 9.0016] w=0.9845 # Constraint # added constraint: constraint((T0381)M212.CB, (T0381)L249.CB) [> 4.5939 = 5.7424 < 11.4848] w=0.8220 # Constraint # added constraint: constraint((T0381)R22.CB, (T0381)T46.CB) [> 5.0878 = 6.3598 < 12.7195] w=0.5758 # Constraint # added constraint: constraint((T0381)L20.CB, (T0381)A53.CB) [> 5.5429 = 6.9287 < 13.8573] w=0.0077 # Constraint # added constraint: constraint((T0381)M212.CB, (T0381)I246.CB) [> 4.5804 = 5.7255 < 11.4509] w=0.8323 # Constraint # added constraint: constraint((T0381)R126.CB, (T0381)T138.CB) [> 5.5467 = 6.9334 < 13.8668] w=0.5533 # Constraint # added constraint: constraint((T0381)L57.CB, (T0381)F73.CB) [> 5.0643 = 6.3303 < 12.6606] w=0.6133 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)N228.CB) [> 5.3287 = 6.6609 < 13.3218] w=0.9774 # Constraint # added constraint: constraint((T0381)C199.CB, (T0381)A214.CB) [> 6.0939 = 7.6173 < 15.2347] w=0.9863 # Constraint # added constraint: constraint((T0381)V224.CB, (T0381)L260.CB) [> 5.7067 = 7.1334 < 14.2669] w=0.5897 # Constraint # added constraint: constraint((T0381)V26.CB, (T0381)A53.CB) [> 5.5219 = 6.9024 < 13.8047] w=0.6162 # Constraint # added constraint: constraint((T0381)A219.CB, (T0381)D259.CB) [> 5.2230 = 6.5288 < 13.0576] w=0.0552 # Constraint # added constraint: constraint((T0381)I216.CB, (T0381)L260.CB) [> 5.6769 = 7.0961 < 14.1921] w=0.8036 # Constraint # added constraint: constraint((T0381)S111.CB, (T0381)I229.CB) [> 4.6306 = 5.7883 < 11.5766] w=0.9809 # Constraint # added constraint: constraint((T0381)L175.CB, (T0381)E206.CB) [> 5.5581 = 6.9476 < 13.8952] w=0.7992 # Constraint # added constraint: constraint((T0381)L209.CB, (T0381)L222.CB) [> 4.0118 = 5.0147 < 10.0294] w=0.0035 # Constraint # added constraint: constraint((T0381)L100.CB, (T0381)T252.CB) [> 5.8964 = 7.3705 < 14.7409] w=0.8203 # Constraint # added constraint: constraint((T0381)I27.CB, (T0381)L80.CB) [> 5.6230 = 7.0287 < 14.0574] w=0.0229 # Constraint # added constraint: constraint((T0381)Y146.CB, (T0381)L155.CB) [> 5.5802 = 6.9753 < 13.9506] w=0.6155 # Constraint # added constraint: constraint((T0381)V42.CB, (T0381)A53.CB) [> 4.1558 = 5.1948 < 10.3895] w=0.8725 # Constraint # added constraint: constraint((T0381)L57.CB, (T0381)L80.CB) [> 4.7427 = 5.9284 < 11.8567] w=0.0070 # Constraint # added constraint: constraint((T0381)R178.CB, (T0381)E204.CB) [> 4.0376 = 5.0470 < 10.0939] w=0.9850 # Constraint # added constraint: constraint((T0381)L209.CB, (T0381)A233.CB) [> 5.4858 = 6.8573 < 13.7146] w=0.8180 # Constraint # added constraint: constraint((T0381)V61.CB, (T0381)P77.CB) [> 5.7899 = 7.2374 < 14.4748] w=0.0054 # Constraint # added constraint: constraint((T0381)V224.CB, (T0381)D259.CB) [> 5.8507 = 7.3134 < 14.6268] w=0.0566 # Constraint # added constraint: constraint((T0381)S110.CB, (T0381)V127.CB) [> 5.5252 = 6.9065 < 13.8131] w=0.9786 # Constraint # added constraint: constraint((T0381)S149.CB, (T0381)S211.CB) [> 3.1611 = 3.9514 < 7.9028] w=0.9845 # Constraint # added constraint: constraint((T0381)V113.CB, (T0381)A225.CB) [> 4.8324 = 6.0404 < 12.0809] w=0.9811 # Constraint # added constraint: constraint((T0381)L20.CB, (T0381)F56.CB) [> 5.4289 = 6.7861 < 13.5723] w=0.1100 # Constraint # added constraint: constraint((T0381)V153.CB, (T0381)A214.CB) [> 4.8120 = 6.0150 < 12.0299] w=0.9845 # Constraint # added constraint: constraint((T0381)P144.CB, (T0381)L175.CB) [> 5.6992 = 7.1240 < 14.2481] w=0.6835 # Constraint # added constraint: constraint((T0381)R22.CB, (T0381)T52.CB) [> 5.2977 = 6.6221 < 13.2441] w=0.2500 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)A226.CB) [> 3.9867 = 4.9834 < 9.9668] w=0.9803 # Constraint # added constraint: constraint((T0381)F30.CB, (T0381)F73.CB) [> 5.3827 = 6.7284 < 13.4568] w=0.5062 # Constraint # added constraint: constraint((T0381)L116.CB, (T0381)V224.CB) [> 4.7171 = 5.8963 < 11.7927] w=0.4864 # Constraint # added constraint: constraint((T0381)V17.CB, (T0381)L82.CB) [> 5.7800 = 7.2250 < 14.4500] w=0.0096 # Constraint # added constraint: constraint((T0381)S112.CB, (T0381)R126.CB) [> 4.0580 = 5.0725 < 10.1450] w=0.9779 # Constraint # added constraint: constraint((T0381)L100.CB, (T0381)V113.CB) [> 5.0379 = 6.2974 < 12.5947] w=0.9876 # Constraint # added constraint: constraint((T0381)E109.CB, (T0381)I229.CB) [> 3.8892 = 4.8615 < 9.7229] w=0.9811 # Constraint # added constraint: constraint((T0381)L116.CB, (T0381)T223.CB) [> 5.5417 = 6.9271 < 13.8542] w=0.4846 # Constraint # added constraint: constraint((T0381)I216.CB, (T0381)A225.CB) [> 3.3919 = 4.2399 < 8.4798] w=0.9979 # Constraint # added constraint: constraint((T0381)L201.CB, (T0381)R210.CB) [> 5.1799 = 6.4749 < 12.9498] w=0.8418 # Constraint # added constraint: constraint((T0381)A43.CB, (T0381)R54.CB) [> 6.2878 = 7.8597 < 15.7194] w=0.0149 # Constraint # added constraint: constraint((T0381)T38.CB, (T0381)F73.CB) [> 5.7760 = 7.2200 < 14.4399] w=0.6434 # Constraint # added constraint: constraint((T0381)I137.CB, (T0381)S230.CB) [> 6.1330 = 7.6662 < 15.3325] w=0.4038 # Constraint # added constraint: constraint((T0381)S149.CB, (T0381)C199.CB) [> 3.5976 = 4.4970 < 8.9941] w=0.9847 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)Y123.CB) [> 4.5221 = 5.6526 < 11.3053] w=0.9901 # Constraint # added constraint: constraint((T0381)L92.CB, (T0381)V113.CB) [> 5.7500 = 7.1875 < 14.3750] w=0.6998 # Constraint # added constraint: constraint((T0381)Y84.CB, (T0381)V124.CB) [> 5.9195 = 7.3994 < 14.7988] w=0.0764 # Constraint # added constraint: constraint((T0381)R152.CB, (T0381)L201.CB) [> 5.6320 = 7.0400 < 14.0800] w=0.8413 # Constraint # added constraint: constraint((T0381)Y16.CB, (T0381)Y86.CB) [> 3.7973 = 4.7467 < 9.4933] w=0.0108 # Constraint # added constraint: constraint((T0381)M150.CB, (T0381)A213.CB) [> 3.5361 = 4.4202 < 8.8403] w=0.9845 # Constraint # added constraint: constraint((T0381)T176.CB, (T0381)E206.CB) [> 5.1752 = 6.4690 < 12.9381] w=0.9857 # Constraint # added constraint: constraint((T0381)V113.CB, (T0381)A125.CB) [> 3.2484 = 4.0605 < 8.1210] w=0.9831 # Constraint # added constraint: constraint((T0381)A147.CB, (T0381)T179.CB) [> 4.1402 = 5.1752 < 10.3505] w=0.9850 # Constraint # added constraint: constraint((T0381)Y123.CB, (T0381)R142.CB) [> 6.2397 = 7.7997 < 15.5993] w=0.7577 # Constraint # added constraint: constraint((T0381)I216.CB, (T0381)E257.CB) [> 4.1152 = 5.1440 < 10.2879] w=0.8123 # Constraint # added constraint: constraint((T0381)R210.CB, (T0381)A233.CB) [> 4.0965 = 5.1206 < 10.2412] w=0.8178 # Constraint # added constraint: constraint((T0381)P215.CB, (T0381)A226.CB) [> 4.5043 = 5.6304 < 11.2607] w=0.9917 # Constraint # added constraint: constraint((T0381)I27.CB, (T0381)P77.CB) [> 5.1958 = 6.4947 < 12.9895] w=0.0098 # Constraint # added constraint: constraint((T0381)A189.CB, (T0381)C199.CB) [> 6.1403 = 7.6753 < 15.3506] w=0.6869 # Constraint # added constraint: constraint((T0381)I229.CB, (T0381)S248.CB) [> 5.7192 = 7.1490 < 14.2979] w=0.5095 # Constraint # added constraint: constraint((T0381)Y146.CB, (T0381)L186.CB) [> 4.6327 = 5.7908 < 11.5816] w=0.9845 # Constraint # added constraint: constraint((T0381)V124.CB, (T0381)I139.CB) [> 4.9694 = 6.2117 < 12.4234] w=0.8283 # Constraint # added constraint: constraint((T0381)A43.CB, (T0381)T52.CB) [> 5.9610 = 7.4513 < 14.9026] w=0.7175 # Constraint # added constraint: constraint((T0381)D196.CB, (T0381)I246.CB) [> 5.3441 = 6.6801 < 13.3602] w=0.2206 # Constraint # added constraint: constraint((T0381)P93.CB, (T0381)V113.CB) [> 5.5424 = 6.9281 < 13.8561] w=0.9794 # Constraint # added constraint: constraint((T0381)I121.CB, (T0381)A226.CB) [> 5.8192 = 7.2740 < 14.5480] w=0.7941 # Constraint # added constraint: constraint((T0381)S149.CB, (T0381)V200.CB) [> 4.8186 = 6.0233 < 12.0465] w=0.8402 # Constraint # added constraint: constraint((T0381)V122.CB, (T0381)L143.CB) [> 5.7559 = 7.1949 < 14.3899] w=0.6294 # Constraint # added constraint: constraint((T0381)T176.CB, (T0381)A207.CB) [> 4.5108 = 5.6385 < 11.2769] w=0.9865 # Constraint # added constraint: constraint((T0381)V95.CB, (T0381)L260.CB) [> 5.1816 = 6.4769 < 12.9539] w=0.6955 # Constraint # added constraint: constraint((T0381)R152.CB, (T0381)I190.CB) [> 5.2003 = 6.5004 < 13.0007] w=0.9845 # Constraint # added constraint: constraint((T0381)A147.CB, (T0381)L175.CB) [> 4.5229 = 5.6537 < 11.3073] w=0.9857 # Constraint # added constraint: constraint((T0381)I115.CB, (T0381)A225.CB) [> 4.3031 = 5.3789 < 10.7579] w=0.9799 # Constraint # added constraint: constraint((T0381)L155.CB, (T0381)Y166.CB) [> 5.5353 = 6.9192 < 13.8383] w=0.9907 # Constraint # added constraint: constraint((T0381)I115.CB, (T0381)V124.CB) [> 4.0163 = 5.0203 < 10.0407] w=0.9781 # Constraint # added constraint: constraint((T0381)L39.CB, (T0381)F73.CB) [> 5.8431 = 7.3038 < 14.6077] w=0.6201 # Constraint # added constraint: constraint((T0381)A156.CB, (T0381)C199.CB) [> 5.3160 = 6.6450 < 13.2899] w=0.9847 # Constraint # added constraint: constraint((T0381)E109.CB, (T0381)I132.CB) [> 4.5662 = 5.7077 < 11.4154] w=0.2262 # Constraint # added constraint: constraint((T0381)V124.CB, (T0381)T134.CB) [> 5.1894 = 6.4867 < 12.9734] w=0.0201 # Constraint # added constraint: constraint((T0381)Y123.CB, (T0381)I139.CB) [> 3.9758 = 4.9697 < 9.9394] w=0.8289 # Constraint # added constraint: constraint((T0381)L100.CB, (T0381)V127.CB) [> 3.8295 = 4.7869 < 9.5738] w=0.9747 # Constraint # added constraint: constraint((T0381)A213.CB, (T0381)A226.CB) [> 3.8568 = 4.8210 < 9.6421] w=0.9878 # Constraint # added constraint: constraint((T0381)V227.CB, (T0381)T252.CB) [> 4.5997 = 5.7496 < 11.4992] w=0.9588 # Constraint # added constraint: constraint((T0381)S112.CB, (T0381)Y123.CB) [> 4.4401 = 5.5501 < 11.1001] w=0.9850 # Constraint # added constraint: constraint((T0381)A96.CB, (T0381)I256.CB) [> 4.1614 = 5.2017 < 10.4034] w=0.8065 # Constraint # added constraint: constraint((T0381)R131.CB, (T0381)P232.CB) [> 6.2930 = 7.8662 < 15.7324] w=0.1700 # Constraint # added constraint: constraint((T0381)S104.CB, (T0381)V127.CB) [> 3.6010 = 4.5013 < 9.0026] w=0.9760 # Constraint # added constraint: constraint((T0381)R210.CB, (T0381)P232.CB) [> 5.9458 = 7.4323 < 14.8645] w=0.8281 # Constraint # added constraint: constraint((T0381)Y146.CB, (T0381)I172.CB) [> 4.3902 = 5.4877 < 10.9754] w=0.9845 # Constraint # added constraint: constraint((T0381)Y16.CB, (T0381)L63.CB) [> 4.4307 = 5.5383 < 11.0766] w=0.0352 # Constraint # added constraint: constraint((T0381)I115.CB, (T0381)V224.CB) [> 5.7582 = 7.1978 < 14.3955] w=0.9784 # Constraint # added constraint: constraint((T0381)L103.CB, (T0381)L249.CB) [> 5.4522 = 6.8153 < 13.6306] w=0.8225 # Constraint # added constraint: constraint((T0381)S211.CB, (T0381)N228.CB) [> 4.2886 = 5.3608 < 10.7215] w=0.9869 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)A225.CB) [> 5.0564 = 6.3205 < 12.6411] w=0.9808 # Constraint # added constraint: constraint((T0381)I172.CB, (T0381)L186.CB) [> 5.3169 = 6.6461 < 13.2922] w=0.4888 # Constraint # added constraint: constraint((T0381)A43.CB, (T0381)A53.CB) [> 3.5000 = 4.3750 < 8.7501] w=0.8730 # Constraint # added constraint: constraint((T0381)L57.CB, (T0381)V66.CB) [> 5.1619 = 6.4523 < 12.9046] w=0.8636 # Constraint # added constraint: constraint((T0381)L155.CB, (T0381)L186.CB) [> 6.2606 = 7.8258 < 15.6516] w=0.7113 # Constraint # added constraint: constraint((T0381)I198.CB, (T0381)M212.CB) [> 4.9008 = 6.1260 < 12.2519] w=0.9917 # Constraint # added constraint: constraint((T0381)R152.CB, (T0381)C199.CB) [> 3.2916 = 4.1145 < 8.2290] w=0.9851 # Constraint # added constraint: constraint((T0381)Y84.CB, (T0381)V122.CB) [> 5.2090 = 6.5112 < 13.0224] w=0.0773 # Constraint # added constraint: constraint((T0381)C29.CB, (T0381)A45.CB) [> 4.7589 = 5.9486 < 11.8972] w=0.6948 # Constraint # added constraint: constraint((T0381)A147.CB, (T0381)T176.CB) [> 6.1019 = 7.6274 < 15.2547] w=0.6839 # Constraint # added constraint: constraint((T0381)S104.CB, (T0381)V129.CB) [> 5.1135 = 6.3918 < 12.7837] w=0.9782 # Constraint # added constraint: constraint((T0381)A214.CB, (T0381)I246.CB) [> 5.7739 = 7.2174 < 14.4348] w=0.7490 # Constraint # added constraint: constraint((T0381)Y146.CB, (T0381)L170.CB) [> 5.0399 = 6.2998 < 12.5997] w=0.7890 # Constraint # added constraint: constraint((T0381)V66.CB, (T0381)T76.CB) [> 4.6803 = 5.8504 < 11.7007] w=0.6081 # Constraint # added constraint: constraint((T0381)V200.CB, (T0381)S211.CB) [> 5.7063 = 7.1329 < 14.2657] w=0.8426 # Constraint # added constraint: constraint((T0381)A67.CB, (T0381)R78.CB) [> 4.3350 = 5.4188 < 10.8376] w=0.0150 # Constraint # added constraint: constraint((T0381)I121.CB, (T0381)P144.CB) [> 5.9754 = 7.4692 < 14.9384] w=0.9603 # Constraint # added constraint: constraint((T0381)V122.CB, (T0381)R142.CB) [> 4.7022 = 5.8777 < 11.7554] w=0.9779 # Constraint # added constraint: constraint((T0381)S149.CB, (T0381)M212.CB) [> 4.6589 = 5.8236 < 11.6472] w=0.9845 # Constraint # added constraint: constraint((T0381)Y123.CB, (T0381)T141.CB) [> 3.5832 = 4.4791 < 8.9581] w=0.9736 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)A213.CB) [> 5.9824 = 7.4780 < 14.9559] w=0.8321 # Constraint # added constraint: constraint((T0381)V200.CB, (T0381)M212.CB) [> 4.5050 = 5.6313 < 11.2625] w=0.8421 # Constraint # added constraint: constraint((T0381)A25.CB, (T0381)T46.CB) [> 4.5282 = 5.6602 < 11.3204] w=0.6220 # Constraint # added constraint: constraint((T0381)V153.CB, (T0381)T223.CB) [> 5.6765 = 7.0956 < 14.1913] w=0.8640 # Constraint # added constraint: constraint((T0381)A96.CB, (T0381)A225.CB) [> 5.8843 = 7.3554 < 14.7107] w=0.4940 # Constraint # added constraint: constraint((T0381)I180.CB, (T0381)A189.CB) [> 4.8079 = 6.0099 < 12.0198] w=0.9876 # Constraint # added constraint: constraint((T0381)I121.CB, (T0381)L154.CB) [> 5.1424 = 6.4280 < 12.8560] w=0.9745 # Constraint # added constraint: constraint((T0381)F30.CB, (T0381)W74.CB) [> 5.5540 = 6.9425 < 13.8850] w=0.5298 # Constraint # added constraint: constraint((T0381)S110.CB, (T0381)S230.CB) [> 4.1773 = 5.2217 < 10.4433] w=0.9805 # Constraint # added constraint: constraint((T0381)A214.CB, (T0381)V227.CB) [> 4.6278 = 5.7847 < 11.5694] w=0.9886 # Constraint # added constraint: constraint((T0381)A207.CB, (T0381)S220.CB) [> 5.3323 = 6.6654 < 13.3308] w=0.0023 # Constraint # added constraint: constraint((T0381)P144.CB, (T0381)L170.CB) [> 5.7990 = 7.2488 < 14.4976] w=0.5697 # Constraint # added constraint: constraint((T0381)C199.CB, (T0381)A213.CB) [> 4.0309 = 5.0386 < 10.0772] w=0.9878 # Constraint # added constraint: constraint((T0381)D120.CB, (T0381)R142.CB) [> 3.7791 = 4.7239 < 9.4478] w=0.9413 # Constraint # added constraint: constraint((T0381)T179.CB, (T0381)L205.CB) [> 6.0144 = 7.5180 < 15.0360] w=0.9875 # Constraint # added constraint: constraint((T0381)L116.CB, (T0381)L154.CB) [> 3.9989 = 4.9986 < 9.9972] w=0.9775 # Constraint # added constraint: constraint((T0381)P93.CB, (T0381)V124.CB) [> 4.7643 = 5.9554 < 11.9108] w=0.9742 # Constraint # added constraint: constraint((T0381)H99.CB, (T0381)T252.CB) [> 3.8620 = 4.8275 < 9.6550] w=0.8587 # Constraint # added constraint: constraint((T0381)R217.CB, (T0381)L260.CB) [> 5.7203 = 7.1503 < 14.3006] w=0.5710 # Constraint # added constraint: constraint((T0381)I27.CB, (T0381)L60.CB) [> 5.3793 = 6.7241 < 13.4482] w=0.6532 # Constraint # added constraint: constraint((T0381)L63.CB, (T0381)R78.CB) [> 5.7436 = 7.1795 < 14.3590] w=0.4432 # Constraint # added constraint: constraint((T0381)I198.CB, (T0381)R250.CB) [> 5.3013 = 6.6267 < 13.2533] w=0.8208 # Constraint # added constraint: constraint((T0381)P215.CB, (T0381)A225.CB) [> 6.0999 = 7.6248 < 15.2497] w=0.7007 # Constraint # added constraint: constraint((T0381)T134.CB, (T0381)P232.CB) [> 5.4911 = 6.8639 < 13.7277] w=0.2732 # Constraint # added constraint: constraint((T0381)L100.CB, (T0381)S111.CB) [> 3.7891 = 4.7363 < 9.4727] w=0.9873 # Constraint # added constraint: constraint((T0381)R22.CB, (T0381)F56.CB) [> 4.8871 = 6.1089 < 12.2178] w=0.5169 # Constraint # added constraint: constraint((T0381)S110.CB, (T0381)P128.CB) [> 3.9783 = 4.9728 < 9.9456] w=0.9776 # Constraint # added constraint: constraint((T0381)T148.CB, (T0381)L201.CB) [> 4.5382 = 5.6728 < 11.3455] w=0.8406 # Constraint # added constraint: constraint((T0381)L92.CB, (T0381)I115.CB) [> 5.9985 = 7.4981 < 14.9963] w=0.7013 # Constraint # added constraint: constraint((T0381)S111.CB, (T0381)S230.CB) [> 6.1514 = 7.6892 < 15.3785] w=0.5071 # Constraint # added constraint: constraint((T0381)V153.CB, (T0381)V193.CB) [> 5.0441 = 6.3052 < 12.6103] w=0.9851 # Constraint # added constraint: constraint((T0381)V61.CB, (T0381)W74.CB) [> 6.0187 = 7.5234 < 15.0467] w=0.0162 # Constraint # added constraint: constraint((T0381)H99.CB, (T0381)D255.CB) [> 4.4286 = 5.5357 < 11.0714] w=0.9375 # Constraint # added constraint: constraint((T0381)S110.CB, (T0381)V129.CB) [> 4.2874 = 5.3593 < 10.7186] w=0.9710 # Constraint # added constraint: constraint((T0381)S19.CB, (T0381)T52.CB) [> 5.4118 = 6.7648 < 13.5295] w=0.0192 # Constraint # added constraint: constraint((T0381)L39.CB, (T0381)L57.CB) [> 5.1226 = 6.4032 < 12.8065] w=0.8508 # Constraint # added constraint: constraint((T0381)L167.CB, (T0381)L186.CB) [> 5.7145 = 7.1431 < 14.2861] w=0.8751 # Constraint # added constraint: constraint((T0381)Y146.CB, (T0381)I180.CB) [> 5.0209 = 6.2761 < 12.5521] w=0.9853 # Constraint # added constraint: constraint((T0381)L209.CB, (T0381)T223.CB) [> 4.6252 = 5.7814 < 11.5629] w=0.0052 # Constraint # added constraint: constraint((T0381)L155.CB, (T0381)T223.CB) [> 6.2436 = 7.8045 < 15.6090] w=0.2104 # Constraint # added constraint: constraint((T0381)L39.CB, (T0381)R50.CB) [> 4.8169 = 6.0212 < 12.0423] w=0.8516 # Constraint # added constraint: constraint((T0381)T148.CB, (T0381)A213.CB) [> 6.0266 = 7.5332 < 15.0664] w=0.9707 # Constraint # added constraint: constraint((T0381)L39.CB, (T0381)A53.CB) [> 4.3842 = 5.4803 < 10.9606] w=0.8651 # Constraint # added constraint: constraint((T0381)C29.CB, (T0381)T46.CB) [> 4.6267 = 5.7834 < 11.5668] w=0.3705 # Constraint # added constraint: constraint((T0381)L163.CB, (T0381)L186.CB) [> 5.8348 = 7.2936 < 14.5871] w=0.4302 # Constraint # added constraint: constraint((T0381)S114.CB, (T0381)L143.CB) [> 5.1512 = 6.4390 < 12.8781] w=0.7830 # Constraint # added constraint: constraint((T0381)V153.CB, (T0381)P215.CB) [> 3.8356 = 4.7944 < 9.5889] w=0.9845 # Constraint # added constraint: constraint((T0381)T148.CB, (T0381)S211.CB) [> 5.1198 = 6.3997 < 12.7994] w=0.8396 # Constraint # added constraint: constraint((T0381)T179.CB, (T0381)E204.CB) [> 3.8868 = 4.8585 < 9.7169] w=0.9850 # Constraint # added constraint: constraint((T0381)L24.CB, (T0381)L82.CB) [> 4.7709 = 5.9636 < 11.9272] w=0.0676 # Constraint # added constraint: constraint((T0381)V107.CB, (T0381)L158.CB) [> 5.4146 = 6.7683 < 13.5366] w=0.0212 # Constraint # added constraint: constraint((T0381)S211.CB, (T0381)I229.CB) [> 5.3591 = 6.6989 < 13.3978] w=0.9885 # Constraint # added constraint: constraint((T0381)S19.CB, (T0381)L63.CB) [> 4.3298 = 5.4123 < 10.8246] w=0.0340 # Constraint # added constraint: constraint((T0381)D120.CB, (T0381)P144.CB) [> 5.5055 = 6.8819 < 13.7637] w=0.8453 # Constraint # added constraint: constraint((T0381)Q97.CB, (T0381)V127.CB) [> 6.0962 = 7.6203 < 15.2406] w=0.6894 # Constraint # added constraint: constraint((T0381)R217.CB, (T0381)E257.CB) [> 3.6283 = 4.5354 < 9.0708] w=0.8153 # SetCost created cost = # ( 1.0000 * constraints ) # command:# Prefix for input files set to # command:# reading script from file servers-noscwrl.under # Prefix for input files set to /projects/compbio/experiments/protein-predict/casp7/T0381/decoys/ # ReadConformPDB reading from PDB file chimera1-1.pdb.gz looking for model 1 # choosing archetypes in rotamer library # Found a chain break before 256 # copying to AlignedFragments data structure # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-1mkmA-1mkm.pdb.gz looking for chain 'A' model 1 WARNING: atoms too close: (T0381)L241.C and (T0381)H242.C only 0 apart, marking (T0381)H242.C as missing WARNING: atoms too close: (T0381)H242.N and (T0381)S243.N only 0 apart, marking (T0381)H242.N as missing WARNING: atoms too close: (T0381)H242.CA and (T0381)S243.CA only 0 apart, marking (T0381)H242.CA as missing # WARNING: incomplete conformation T0381 can't currently be optimized by undertaker # naming current conformation dimer//dimer-1mkmA-1mkm # ReadConformPDB reading from PDB file ../dimer/decoys/dimer-2g7uA-2g7u.pdb.gz looking for chain 'A' model 1 # WARNING: incomplete conformation T0381 can't currently be optimized by undertaker # naming current conformation dimer//dimer-2g7uA-2g7u # command:# No conformation to output in ExtractConstraints # command: