# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 25 * dry5(5) + 30 * dry6.5(6.5) + 20 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 5 * sidechain + 10 * n_ca_c + 15 * bad_peptide + 5 * bystroff + 80 * soft_clashes + 2 * backbone_clashes + 180 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 6 * hbond_geom + 12 * hbond_geom_backbone + 60 * hbond_geom_beta + 110 * hbond_geom_beta_pair + 1 * missing_atoms + 0.5 * maybe_metal ) 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 hbond_geom_beta hbond_geom_beta_pair missing_atoms maybe_metal 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 10N 10N 10N T0381.try15-opt2.pdb.gz 265 0.5144 1.6437 1.6360 2.9460 2.9400 3.2186 3.4150 -0.3283 -5.4777 0.1982 0.1695 -0.2155 0.0330 0.0151 0.0155 0.1936 0.2171 0.1952 0.0000 -0.7379 -0.4848 -0.1327 -0.1002 0.0000 0.0000 220.2650 T0381.try15-opt2.repack-nonPC.pdb.gz 265 0.5162 1.6437 1.6360 2.9937 2.9671 3.2337 3.4201 -0.3270 -5.5180 0.1982 0.1695 -0.2155 0.0401 0.0151 0.0155 0.1936 0.2171 0.1952 0.0000 -0.7067 -0.4848 -0.1327 -0.1002 0.0000 0.0000 223.1793 T0381.try15-opt1.pdb.gz 265 0.5157 1.6644 1.6410 2.9786 2.9613 3.2365 3.4267 -0.3180 -5.4651 0.2089 0.1735 -0.2231 0.0511 0.0113 0.0140 0.2583 0.2802 0.2548 0.0000 -0.6701 -0.4664 -0.1292 -0.0970 0.0000 0.0000 225.2159 T0381.try16-opt2.pdb.gz 265 0.5141 1.6498 1.6483 2.9336 2.9271 3.2198 3.4210 -0.2644 -5.9811 0.2077 0.1317 -0.2402 0.0925 0.0302 0.0462 0.0295 0.0470 0.0313 0.0000 -0.7236 -0.4847 -0.1334 -0.1036 0.0000 0.0000 225.7167 T0381.try16-opt1.pdb.gz 265 0.5137 1.6421 1.6495 2.9467 2.9312 3.2231 3.4227 -0.2622 -5.9251 0.2151 0.1320 -0.2394 0.1004 0.0264 0.0481 0.0395 0.0605 0.0428 0.0000 -0.7100 -0.4802 -0.1321 -0.1026 0.0000 0.0000 227.9175 T0381.try14-opt2.pdb.gz 265 0.5109 1.6432 1.6486 2.9453 2.9321 3.2256 3.4218 -0.2599 -5.9209 0.2176 0.1314 -0.2394 0.1077 0.0264 0.0466 0.0394 0.0605 0.0425 0.0000 -0.7053 -0.4799 -0.1322 -0.1027 0.0000 0.0000 228.2831 T0381.try15-opt2.gromacs0.pdb.gz 265 0.5126 1.6722 1.6523 3.0050 2.9597 3.2180 3.4137 -0.3313 -4.8639 0.1574 0.2493 -0.2096 0.0130 0.0151 0.0265 0.4302 0.4780 0.4432 0.0000 -0.7346 -0.4630 -0.1294 -0.0962 0.0000 0.0000 229.1796 T0381.try16-opt2.repack-nonPC.pdb.gz 265 0.5222 1.6498 1.6483 2.9930 2.9745 3.2463 3.4224 -0.2547 -5.9177 0.2077 0.1317 -0.2402 0.0859 0.0302 0.0462 0.0295 0.0470 0.0313 0.0000 -0.6898 -0.4847 -0.1334 -0.1036 0.0000 0.0000 229.2939 T0381.try14-opt2.gromacs0.pdb.gz 265 0.5182 1.6397 1.6321 2.9888 2.9542 3.2331 3.4219 -0.2604 -4.7611 0.2476 0.2187 -0.2196 0.0304 0.0226 0.0173 0.4059 0.4494 0.4163 0.0000 -0.7231 -0.4638 -0.1294 -0.0971 0.0000 0.0000 229.3566 T0381.try16-opt2.gromacs0.pdb.gz 265 0.5162 1.6492 1.6418 2.9830 2.9563 3.2297 3.4186 -0.2645 -4.7826 0.2087 0.2304 -0.2266 0.0299 0.0264 0.0250 0.4109 0.4553 0.4202 0.0000 -0.7089 -0.4668 -0.1304 -0.0977 0.0000 0.0000 230.2150 T0381.try14-opt2.repack-nonPC.pdb.gz 265 0.5161 1.6432 1.6486 2.9987 2.9637 3.2470 3.4224 -0.2504 -5.8454 0.2176 0.1314 -0.2394 0.0929 0.0264 0.0466 0.0394 0.0605 0.0425 0.0000 -0.6778 -0.4799 -0.1322 -0.1027 0.0000 0.0000 230.4506 T0381.try15-opt2.gromacs0.repack-nonPC.pdb.gz 265 0.5191 1.6722 1.6523 3.0292 2.9816 3.2247 3.4179 -0.3282 -5.0223 0.1574 0.2493 -0.2096 0.0240 0.0151 0.0265 0.4302 0.4780 0.4432 0.0000 -0.6768 -0.4630 -0.1294 -0.0962 0.0000 0.0000 231.1299 T0381.try2-opt2.pdb.gz 265 0.5138 1.6366 1.6392 2.9523 2.9422 3.2343 3.4241 -0.2455 -6.0725 0.2148 0.1366 -0.2381 0.1434 0.0226 0.0510 0.0431 0.0698 0.0506 0.0000 -0.7068 -0.4780 -0.1308 -0.1017 0.0000 0.0000 232.1427 T0381.try14-opt1.pdb.gz 265 0.5151 1.6444 1.6379 2.9521 2.9445 3.2398 3.4247 -0.2484 -6.0741 0.2185 0.1366 -0.2381 0.1433 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-4.4905 0.2080 0.2121 -0.1357 0.0427 0.0189 0.0213 0.4030 0.4528 0.4189 0.0000 -0.5800 -0.3841 -0.1095 -0.0809 0.0000 0.0000 244.5454 T0381.try1-opt2.repack-nonPC.pdb.gz 265 0.5233 1.6388 1.6713 3.0556 2.9947 3.2951 3.4635 0.2364 -5.8455 0.2429 0.1409 -0.1945 0.1645 0.0415 0.0559 0.0227 0.0203 0.0089 0.0000 -0.6674 -0.4750 -0.1221 -0.0948 0.0000 0.0000 244.6224 T0381.try10-opt2.gromacs0.repack-nonPC.pdb.gz 265 0.5530 1.7097 1.7052 3.0525 3.0484 3.3286 3.4790 -0.0591 -4.3056 0.2272 0.2177 -0.1420 0.0366 0.0151 0.0203 0.3965 0.4458 0.4127 0.0000 -0.6053 -0.4001 -0.1142 -0.0824 0.0000 0.0000 245.0551 T0381.try11-opt2.repack-nonPC.pdb.gz 265 0.5408 1.6559 1.6737 3.0979 3.0868 3.3246 3.4784 -0.0151 -5.2498 0.2886 0.1642 -0.1755 0.0894 0.0226 0.0366 0.0728 0.0670 0.0370 0.0000 -0.6520 -0.4559 -0.1182 -0.0828 0.0000 0.0000 245.4437 T0381.try11-opt1.pdb.gz 265 0.5279 1.6758 1.6795 3.0538 3.0671 3.3354 3.4879 0.0728 -5.4536 0.2894 0.1677 -0.1732 0.1114 0.0189 0.0378 0.1361 0.1295 0.1049 0.0000 -0.6667 -0.4488 -0.1173 -0.0825 0.0000 0.0000 245.6168 T0381.try11-opt2.gromacs0.repack-nonPC.pdb.gz 265 0.5330 1.6738 1.6603 3.1134 3.1025 3.3058 3.4818 -0.0187 -4.5370 0.2199 0.2432 -0.1471 0.0234 0.0151 0.0305 0.4362 0.4605 0.4062 0.0000 -0.6589 -0.4451 -0.1158 -0.0811 0.0000 0.0000 246.3205 T0381.try10-opt1.pdb.gz 265 0.5402 1.6885 1.7015 3.0292 2.9798 3.2922 3.4695 -0.0072 -5.5469 0.3192 0.1030 -0.1717 0.1848 0.0302 0.0344 0.0562 0.0610 0.0492 0.0000 -0.5549 -0.3926 -0.1134 -0.0848 0.0000 0.0000 246.7027 T0381.try4-opt2.gromacs0.repack-nonPC.pdb.gz 265 0.5497 1.7129 1.7120 3.0803 3.0711 3.3344 3.4723 -0.0012 -4.3602 0.2080 0.2121 -0.1357 0.0358 0.0189 0.0213 0.4030 0.4528 0.4189 0.0000 -0.5964 -0.3841 -0.1095 -0.0809 0.0000 0.0000 246.9600 T0381.try5-opt2.gromacs0.pdb.gz 265 0.5222 1.7380 1.7408 3.0272 3.0222 3.3190 3.4952 0.2360 -4.5591 0.1963 0.2427 -0.1594 0.0489 0.0151 0.0363 0.5365 0.5849 0.5153 0.0000 -0.6473 -0.4268 -0.1133 -0.0810 0.0000 0.0000 246.9672 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