# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 30 * dry5(5) + 40 * dry6.5(6.5) + 30 * dry8(8) + 15 * dry12(12) + 1 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 150 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 20 * constraints + 5 * hbond_geom + 5 * hbond_geom_backbone + 1 * missing_atoms ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit sidechain n_ca_c bad_peptide bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 constraints hbond_geom hbond_geom_backbone missing_atoms cost 10S 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N T0365.try7-opt2.pdb.gz 226 0.5273 1.5956 1.6504 2.7814 2.8380 3.1983 3.5338 2.6661 -6.4057 0.2411 0.1057 -0.0247 0.0989 0.0398 0.0189 -0.3941 -0.4473 -0.4543 0.8082 -0.7526 -0.6525 0.0000 354.2673 T0365.try7-opt1.pdb.gz 226 0.5310 1.5965 1.6514 2.8006 2.8471 3.2106 3.5405 2.6887 -6.4162 0.2459 0.1071 -0.0258 0.1179 0.0487 0.0193 -0.3717 -0.4238 -0.4255 0.8110 -0.7477 -0.6478 0.0000 356.4651 T0365.try8-opt2.pdb.gz 226 0.5408 1.6445 1.6920 2.8026 2.8389 3.2381 3.5545 2.7427 -6.1285 0.2319 0.1470 -0.0209 0.1440 0.0531 0.0192 -0.3200 -0.3340 -0.3429 0.6036 -0.7409 -0.6396 0.0000 356.5493 T0365.try6-opt2.pdb.gz 226 0.5310 1.5960 1.6507 2.7960 2.8507 3.2135 3.5427 2.6897 -6.4284 0.2472 0.1083 -0.0247 0.1267 0.0398 0.0208 -0.3924 -0.4457 -0.4527 0.8106 -0.7458 -0.6458 0.0000 356.8041 chimera-8-7.pdb.gz 226 0.5388 1.6614 1.6855 2.8049 2.8431 3.2432 3.5600 2.6064 -6.1977 0.2150 0.1563 -0.0191 0.2097 0.0708 0.0322 -0.3904 -0.4045 -0.4135 0.5638 -0.7490 -0.6388 0.0000 358.6260 T0365.try6-opt1.pdb.gz 226 0.5287 1.6003 1.6564 2.8107 2.8645 3.2225 3.5441 2.6746 -6.3009 0.2497 0.1137 -0.0226 0.1642 0.0442 0.0212 -0.3659 -0.4254 -0.4352 0.7698 -0.7341 -0.6488 0.0000 358.9815 T0365.try5-opt2.pdb.gz 226 0.5212 1.5923 1.6576 2.8038 2.8649 3.2207 3.5444 2.6732 -6.5128 0.2365 0.1175 -0.0204 0.2073 0.0442 0.0273 -0.4028 -0.4562 -0.4653 0.7676 -0.7338 -0.6505 0.0000 359.0510 T0365.try10-opt2.pdb.gz 226 0.5428 1.6434 1.6990 2.8233 2.8597 3.2618 3.5431 2.5106 -6.2570 0.3215 0.1081 -0.0285 0.2966 0.0619 0.0175 -0.2167 -0.2512 -0.2625 0.6128 -0.7088 -0.6007 0.0000 361.6372 T0365.try7-opt2.repack-nonPC.pdb.gz 226 0.5348 1.5956 1.6504 2.8695 2.9113 3.2464 3.5513 2.6953 -6.3705 0.2411 0.1057 -0.0247 0.0921 0.0398 0.0189 -0.3941 -0.4473 -0.4543 0.8087 -0.7414 -0.6525 0.0000 361.7953 T0365.try12-opt2.pdb.gz 226 0.5369 1.6680 1.7074 2.8152 2.9217 3.4103 3.6573 3.2427 -5.8654 0.3803 0.0979 0.0003 0.3587 0.1150 0.0306 -0.1232 -0.1387 -0.1528 -0.1682 -0.6326 -0.5504 0.0000 362.1100 T0365.try8-opt2.repack-nonPC.pdb.gz 226 0.5491 1.6445 1.6920 2.8763 2.9086 3.2636 3.5602 2.7138 -6.2176 0.2319 0.1470 -0.0209 0.1169 0.0531 0.0192 -0.3200 -0.3340 -0.3429 0.6484 -0.7428 -0.6396 0.0000 362.3980 T0365.try6-opt2.repack-nonPC.pdb.gz 226 0.5330 1.5960 1.6507 2.8520 2.9194 3.2532 3.5517 2.6912 -6.2795 0.2472 0.1083 -0.0247 0.1009 0.0398 0.0208 -0.3924 -0.4457 -0.4527 0.8076 -0.7375 -0.6458 0.0000 362.8000 T0365.try8-opt1.pdb.gz 226 0.5481 1.6462 1.6944 2.8401 2.8725 3.2782 3.5596 2.7475 -5.9163 0.2355 0.1701 -0.0206 0.1746 0.0531 0.0287 -0.3167 -0.3328 -0.3412 0.6135 -0.7129 -0.6351 0.0000 364.1612 T0365.try5-opt2.repack-nonPC.pdb.gz 226 0.5395 1.5923 1.6576 2.8674 2.9375 3.2652 3.5608 2.7321 -6.3095 0.2365 0.1175 -0.0204 0.1209 0.0442 0.0273 -0.4028 -0.4562 -0.4653 0.7948 -0.7485 -0.6505 0.0000 365.5362 T0365.try7-opt2.gromacs0.pdb.gz 226 0.5263 1.6170 1.6730 2.8256 2.8631 3.2097 3.5351 2.6664 -5.3507 0.1703 0.2199 0.0075 0.0277 0.0221 0.0328 -0.1621 -0.2078 -0.2244 0.8081 -0.7367 -0.6266 0.0000 365.6271 T0365.try10-opt2.repack-nonPC.pdb.gz 226 0.5323 1.6434 1.6990 2.9289 2.9132 3.2949 3.5521 2.4748 -6.0441 0.3215 0.1081 -0.0285 0.1477 0.0619 0.0175 -0.2167 -0.2512 -0.2625 0.6214 -0.7230 -0.6007 0.0000 366.0666 T0365.try5-opt1.pdb.gz 226 0.5270 1.5903 1.6599 2.8284 2.9007 3.2536 3.5571 2.7770 -6.5873 0.2327 0.1301 -0.0243 0.2264 0.0487 0.0474 -0.4312 -0.4723 -0.4847 0.8015 -0.7405 -0.6539 0.0000 366.1989 T0365.try6-opt2.gromacs0.pdb.gz 226 0.5281 1.6174 1.6613 2.8309 2.8706 3.2155 3.5437 2.6897 -5.4978 0.1403 0.2151 0.0067 0.0295 0.0133 0.0387 -0.1715 -0.2173 -0.2354 0.8081 -0.7363 -0.6295 0.0000 366.2729 T0365.try12-opt1.pdb.gz 226 0.5356 1.6574 1.7091 2.8533 2.9633 3.4285 3.6680 3.2618 -5.8767 0.3803 0.0923 0.0072 0.4012 0.1239 0.0300 -0.1471 -0.1472 -0.1626 -0.1702 -0.6127 -0.5345 0.0000 366.3333 T0365.try7-opt1-scwrl.pdb.gz 226 0.5418 1.5965 1.6514 2.9051 2.9273 3.2550 3.5635 2.6943 -6.8283 0.2459 0.1071 -0.0258 0.3179 0.0487 0.0193 -0.3717 -0.4238 -0.4255 0.7936 -0.7206 -0.6478 0.0000 366.3774 T0365.try8-opt2.gromacs0.pdb.gz 226 0.5430 1.6565 1.7023 2.8592 2.8507 3.2430 3.5564 2.7437 -5.1385 0.1601 0.2442 0.0004 0.0302 0.0133 0.0351 -0.0958 -0.1138 -0.1154 0.6353 -0.7430 -0.6287 0.0000 366.7729 T0365.try6-opt1-scwrl.pdb.gz 226 0.5341 1.6003 1.6564 2.9190 2.9464 3.2644 3.5662 2.6931 -6.7829 0.2497 0.1137 -0.0226 0.3158 0.0442 0.0212 -0.3659 -0.4254 -0.4352 0.7922 -0.7234 -0.6488 0.0000 368.3185 T0365.try9-opt2.pdb.gz 226 0.5476 1.6708 1.7376 2.7925 2.8897 3.3666 3.6241 3.2826 -6.3425 0.2647 0.1377 -0.0290 0.1527 0.0354 0.0121 -0.4009 -0.4116 -0.4148 0.9386 -0.7422 -0.6418 0.0000 368.4399 T0365.try8-opt1-scwrl.pdb.gz 226 0.5526 1.6462 1.6944 2.9138 2.9201 3.2735 3.5550 2.6925 -6.5317 0.2355 0.1701 -0.0206 0.3669 0.0531 0.0287 -0.3167 -0.3328 -0.3412 0.6295 -0.7185 -0.6351 0.0000 369.1373 T0365.try5-opt2.gromacs0.pdb.gz 226 0.5268 1.6218 1.6539 2.8496 2.8855 3.2272 3.5452 2.6780 -5.3198 0.1666 0.2229 0.0085 0.0485 0.0221 0.0419 -0.1654 -0.2096 -0.2262 0.7752 -0.7155 -0.6235 0.0000 369.2754 T0365.try12-opt2.repack-nonPC.pdb.gz 226 0.5333 1.6680 1.7074 2.9261 3.0153 3.4691 3.6750 3.2900 -5.7247 0.3803 0.0979 0.0003 0.2181 0.1150 0.0306 -0.1232 -0.1387 -0.1528 -0.1485 -0.6466 -0.5504 0.0000 369.4227 T0365.try10-opt2.gromacs0.pdb.gz 226 0.5418 1.6501 1.6976 2.8747 2.8751 3.2709 3.5444 2.5118 -5.2848 0.2020 0.2453 -0.0422 0.0707 0.0265 0.0427 -0.0117 -0.0303 -0.0441 0.6101 -0.7047 -0.5842 0.0000 370.2008 T0365.try10-opt1.pdb.gz 226 0.5448 1.6435 1.7020 2.9138 2.9022 3.2885 3.5483 2.4719 -6.1412 0.3327 0.1279 -0.0283 0.3767 0.0708 0.0210 -0.2155 -0.2497 -0.2614 0.6244 -0.6879 -0.5933 0.0000 370.2957 T0365.try8-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5422 1.6565 1.7023 2.9239 2.8971 3.2586 3.5559 2.7259 -5.3199 0.1601 0.2442 0.0004 0.0454 0.0133 0.0351 -0.0958 -0.1138 -0.1154 0.6361 -0.7340 -0.6287 0.0000 370.4583 T0365.try7-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5369 1.6170 1.6730 2.8967 2.9249 3.2595 3.5598 2.7208 -5.6460 0.1703 0.2199 0.0075 0.0316 0.0221 0.0328 -0.1621 -0.2078 -0.2244 0.8070 -0.7155 -0.6266 0.0000 370.9964 T0365.try4-opt2.pdb.gz 226 0.5260 1.5903 1.6599 2.8603 2.9163 3.2758 3.5655 2.8627 -6.7106 0.1464 0.1512 -0.0308 0.2011 0.0221 0.0733 -0.4519 -0.4936 -0.5083 0.8139 -0.7393 -0.6552 0.0000 371.2117 T0365.try9-opt2.repack-nonPC.pdb.gz 226 0.5383 1.6708 1.7376 2.8240 2.9395 3.4030 3.6259 3.2558 -6.3465 0.2647 0.1377 -0.0290 0.1084 0.0354 0.0121 -0.4009 -0.4116 -0.4148 0.9440 -0.7321 -0.6418 0.0000 371.5801 T0365.try6-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5344 1.6174 1.6613 2.9052 2.9277 3.2543 3.5512 2.6814 -5.5836 0.1403 0.2151 0.0067 0.0330 0.0133 0.0387 -0.1715 -0.2173 -0.2354 0.7998 -0.7276 -0.6295 0.0000 371.6710 T0365.try11-opt2.pdb.gz 226 0.5375 1.6336 1.7077 2.8795 2.9916 3.4327 3.6840 3.1342 -5.4988 0.4062 0.0781 0.0060 0.3644 0.0929 0.0078 -0.0813 -0.0893 -0.1024 0.0957 -0.6338 -0.5406 0.0000 371.6820 T0365.try5-opt1-scwrl.pdb.gz 226 0.5392 1.5903 1.6599 2.9043 2.9587 3.2856 3.5681 2.8048 -6.7998 0.2327 0.1301 -0.0243 0.2641 0.0487 0.0474 -0.4312 -0.4723 -0.4847 0.8044 -0.7444 -0.6539 0.0000 371.8618 T0365.try10-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5386 1.6501 1.6976 2.9260 2.9220 3.3084 3.5497 2.4659 -5.5203 0.2020 0.2453 -0.0422 0.0467 0.0265 0.0427 -0.0117 -0.0303 -0.0441 0.6018 -0.7083 -0.5842 0.0000 372.8863 T0365.try10-opt1-scwrl.pdb.gz 226 0.5465 1.6435 1.7020 2.9442 2.9554 3.3184 3.5478 2.4762 -6.4577 0.3327 0.1279 -0.0283 0.4198 0.0708 0.0210 -0.2155 -0.2497 -0.2614 0.6136 -0.6914 -0.5933 0.0000 373.3041 T0365.try12-opt2.gromacs0.pdb.gz 226 0.5365 1.6716 1.7263 2.8844 2.9441 3.4271 3.6565 3.2414 -4.2638 0.2546 0.2518 0.0200 0.0825 0.0841 0.0555 0.1519 0.1417 0.1393 -0.1646 -0.6448 -0.5576 0.0000 374.5159 T0365.try5-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5282 1.6218 1.6539 2.9358 2.9490 3.2556 3.5553 2.7030 -5.4534 0.1666 0.2229 0.0085 0.0383 0.0221 0.0419 -0.1654 -0.2096 -0.2262 0.7778 -0.7242 -0.6235 0.0000 374.5916 T0365.try4-opt2.repack-nonPC.pdb.gz 226 0.5264 1.5903 1.6599 2.8912 2.9696 3.3031 3.5636 2.8651 -6.4097 0.1464 0.1512 -0.0308 0.1058 0.0221 0.0733 -0.4519 -0.4936 -0.5083 0.8283 -0.7549 -0.6552 0.0000 374.8771 T0365.try9-opt2.gromacs0.pdb.gz 226 0.5447 1.6786 1.7366 2.8221 2.9138 3.3749 3.6247 3.2844 -5.5075 0.1915 0.2397 -0.0182 0.0352 0.0310 0.0249 -0.2399 -0.2491 -0.2487 0.9446 -0.7461 -0.6341 0.0000 376.0978 T0365.try9-opt1.pdb.gz 226 0.5572 1.6712 1.7305 2.8365 2.9457 3.4117 3.6435 3.3181 -6.1858 0.2756 0.1629 -0.0249 0.1847 0.0398 0.0153 -0.4097 -0.4241 -0.4257 0.9595 -0.7350 -0.6326 0.0000 376.4683 T0365.try12-opt1-scwrl.pdb.gz 226 0.5473 1.6574 1.7091 3.0103 3.0606 3.4719 3.6717 3.2215 -6.2700 0.3803 0.0923 0.0072 0.5048 0.1239 0.0300 -0.1471 -0.1472 -0.1626 -0.1454 -0.5991 -0.5345 0.0000 377.1003 T0365.try11-opt2.repack-nonPC.pdb.gz 226 0.5300 1.6336 1.7077 2.9739 3.0863 3.5094 3.7097 3.1581 -5.5055 0.4062 0.0781 0.0060 0.2204 0.0929 0.0078 -0.0813 -0.0893 -0.1024 0.1105 -0.6277 -0.5406 0.0000 378.3182 T0365.try9-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5417 1.6786 1.7366 2.8536 2.9469 3.4150 3.6354 3.2663 -5.6568 0.1915 0.2397 -0.0182 0.0388 0.0310 0.0249 -0.2399 -0.2491 -0.2487 0.9405 -0.7395 -0.6341 0.0000 378.9442 T0365.try9-opt1-scwrl.pdb.gz 226 0.5537 1.6712 1.7305 2.9157 2.9537 3.4172 3.6426 3.2184 -6.6483 0.2756 0.1629 -0.0249 0.3258 0.0398 0.0153 -0.4097 -0.4241 -0.4257 0.9437 -0.7148 -0.6326 0.0000 379.4573 T0365.try12-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5347 1.6716 1.7263 2.9663 3.0159 3.4896 3.6841 3.2968 -4.6491 0.2546 0.2518 0.0200 0.0680 0.0841 0.0555 0.1519 0.1417 0.1393 -0.1595 -0.6410 -0.5576 0.0000 380.0666 T0365.try11-opt2.gromacs0.pdb.gz 226 0.5389 1.6550 1.7130 2.9062 3.0111 3.4505 3.6814 3.1392 -4.2304 0.1793 0.2480 0.0137 0.0874 0.0841 0.0442 0.1750 0.1401 0.1327 0.0864 -0.6576 -0.5573 0.0000 381.8220 T0365.try4-opt2.gromacs0.pdb.gz 226 0.5253 1.6054 1.6641 2.8860 2.9269 3.2733 3.5646 2.8631 -5.2462 0.3319 0.2519 -0.0101 0.0524 0.0310 0.0820 -0.1838 -0.2316 -0.2436 0.8208 -0.7201 -0.6298 0.0000 382.0627 T0365.try11-opt1.pdb.gz 226 0.5453 1.6346 1.7032 2.9364 3.0357 3.4941 3.7160 3.2560 -5.1510 0.4185 0.0779 0.0197 0.4441 0.0885 0.0060 -0.0176 -0.0316 -0.0430 0.1333 -0.5920 -0.5171 0.0000 382.3264 T0365.try4-opt1.pdb.gz 226 0.5399 1.6082 1.6880 2.8878 2.9957 3.3541 3.6033 2.9646 -6.6296 0.1396 0.1697 -0.0106 0.2789 0.0398 0.0825 -0.4421 -0.4910 -0.4971 0.8517 -0.7106 -0.6330 0.0000 383.3547 T0365.try4-opt1-scwrl.pdb.gz 226 0.5380 1.6082 1.6880 2.9028 2.9979 3.3588 3.6018 2.9700 -6.6955 0.1396 0.1697 -0.0106 0.2819 0.0398 0.0825 -0.4421 -0.4910 -0.4971 0.8509 -0.7048 -0.6330 0.0000 383.7312 T0365.try4-opt2.gromacs0.repack-nonPC.pdb.gz 226 0.5371 1.6054 1.6641 2.8999 2.9631 3.2888 3.5642 2.8771 -5.3357 0.3319 0.2519 -0.0101 0.0525 0.0310 0.0820 -0.1838 -0.2316 -0.2436 0.8174 -0.7225 -0.6298 0.0000 384.0540 T0365.try13-opt2.pdb.gz 226 0.5441 1.7121 1.7630 2.7975 2.9237 3.5280 3.8202 3.1637 -6.3612 0.1653 0.0775 -0.0621 0.1847 0.0664 0.0205 -0.3418 -0.3773 -0.3845 1.2916 -0.7433 -0.6340 0.0000 385.8453 T0365.try11-opt1-scwrl.pdb.gz 226 0.5407 1.6346 1.7032 3.0206 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