# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 15 * dry5(5) + 20 * dry6.5(6.5) + 15 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms + 0.5 * maybe_metal + 1 * maybe_ssbond ) 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 maybe_ssbond 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 10N T0383.try15-opt2.pdb.gz 127 0.5359 1.6535 1.6413 3.0540 2.9642 3.4504 3.6786 2.8322 -4.6746 0.3171 0.1590 -0.0599 0.2911 0.0315 0.0863 0.2664 0.2518 0.2631 0.0000 -0.5502 -0.4710 -0.2904 -0.2478 0.0000 0.0000 0.0000 149.9188 T0383.try15-opt2.repack-nonPC.pdb.gz 127 0.5582 1.6535 1.6413 3.1875 3.0160 3.5000 3.7276 2.9484 -4.4024 0.3171 0.1590 -0.0599 0.1894 0.0315 0.0863 0.2664 0.2518 0.2631 0.0000 -0.5520 -0.4710 -0.2904 -0.2478 0.0000 0.0000 0.0000 153.8330 T0383.try5-opt2.pdb.gz 127 0.5452 1.6625 1.6730 2.9879 3.0265 3.5717 3.7663 2.9031 -5.3155 0.3192 0.1034 -0.1550 0.1140 0.0394 0.0245 0.3185 0.2725 0.3253 0.0000 -0.6840 -0.5247 -0.1782 -0.1666 0.0000 0.0000 0.0000 154.8736 T0383.try1-opt2.pdb.gz 127 0.5371 1.6937 1.6413 3.0709 3.0369 3.6159 3.8022 4.2337 -4.6116 0.4333 0.1211 -0.1186 0.2427 0.1654 0.0406 0.5137 0.5364 0.5408 0.0000 -0.5231 -0.4529 -0.2658 -0.2488 0.0000 0.0000 0.0000 158.0558 T0383.try4-opt2.pdb.gz 127 0.5175 1.6825 1.6206 3.1363 3.0647 3.6719 3.8577 4.8183 -4.6181 0.3552 0.1406 -0.1638 0.2246 0.1339 0.0770 0.2766 0.3139 0.3269 0.0000 -0.6737 -0.4975 -0.2790 -0.2543 0.0000 0.0000 0.0000 158.6184 T0383.try9-opt2.pdb.gz 127 0.5509 1.6841 1.7148 3.0478 3.1079 3.6885 3.9756 2.6764 -4.8882 0.4213 0.1443 -0.0836 0.1151 0.0236 0.1042 0.4498 0.4295 0.4603 0.0000 -0.6446 -0.5084 -0.2405 -0.2306 0.0000 0.0000 0.0000 159.2327 T0383.try1-opt2.repack-nonPC.pdb.gz 127 0.5507 1.6937 1.6413 3.1603 3.0472 3.6446 3.8193 4.2574 -4.3037 0.4333 0.1211 -0.1186 0.1713 0.1654 0.0406 0.5137 0.5364 0.5408 0.0000 -0.5328 -0.4529 -0.2658 -0.2488 0.0000 0.0000 0.0000 160.4347 T0383.try5-opt2.repack-nonPC.pdb.gz 127 0.5927 1.6625 1.6730 3.1064 3.0921 3.6097 3.7992 3.0308 -5.0617 0.3192 0.1034 -0.1550 0.0790 0.0394 0.0245 0.3185 0.2725 0.3253 0.0000 -0.6143 -0.5247 -0.1782 -0.1666 0.0000 0.0000 0.0000 160.5848 T0383.try15-opt1.pdb.gz 127 0.5497 1.6759 1.6618 3.0949 3.0129 3.4685 3.6868 2.8405 -4.0272 0.3811 0.1423 -0.0706 0.3071 0.0866 0.0693 0.6087 0.6777 0.6423 0.0000 -0.5414 -0.4458 -0.2695 -0.2285 0.0000 0.0000 0.0000 160.7429 T0383.try7-opt2.pdb.gz 127 0.5440 1.6838 1.7432 3.1137 3.1169 3.6055 3.8350 2.5045 -4.9005 0.4501 0.1288 -0.1481 0.1456 0.0236 0.0247 0.5299 0.5248 0.5448 0.0000 -0.6136 -0.4316 -0.2042 -0.1971 0.0000 0.0000 0.0000 160.9882 T0383.try15-opt2.gromacs0.pdb.gz 127 0.5345 1.6629 1.6535 3.0882 2.9908 3.4586 3.6780 2.8386 -2.8073 0.3899 0.2583 -0.0593 0.0521 0.0157 0.0561 1.0894 1.1634 1.1005 0.0000 -0.5296 -0.4442 -0.2768 -0.2383 0.0000 0.0000 0.0000 162.7150 T0383.try5-opt2.gromacs0.pdb.gz 127 0.5492 1.6631 1.6722 3.0198 3.0350 3.5805 3.7670 2.9029 -4.2440 0.2282 0.2096 -0.1011 0.0252 0.0236 0.0121 0.7172 0.6979 0.7321 0.0000 -0.6746 -0.5015 -0.1740 -0.1625 0.0000 0.0000 0.0000 162.8873 T0383.try4-opt2.repack-nonPC.pdb.gz 127 0.5355 1.6825 1.6206 3.2167 3.1418 3.7168 3.8722 4.7990 -4.3426 0.3552 0.1406 -0.1638 0.1649 0.1339 0.0770 0.2766 0.3139 0.3269 0.0000 -0.5890 -0.4975 -0.2790 -0.2543 0.0000 0.0000 0.0000 162.9481 T0383.try13-opt2.pdb.gz 127 0.5560 1.6910 1.7393 3.1169 3.1392 3.6306 3.8477 2.4200 -4.9267 0.5360 0.1607 -0.0978 0.1782 0.0551 0.0709 0.1312 0.1453 0.1694 0.0000 -0.5587 -0.4364 -0.2187 -0.1965 0.0000 0.0000 0.0000 163.0931 T0383.try3-opt2.pdb.gz 127 0.5641 1.6403 1.7588 2.9413 2.9587 3.6806 3.9553 2.8854 -6.3574 0.2125 0.0832 -0.1792 0.0682 0.0079 0.0128 0.1807 0.1559 0.2232 0.0000 -0.7785 -0.6116 -0.0618 -0.0559 0.0000 0.0000 0.0000 163.1707 T0383.try9-opt2.repack-nonPC.pdb.gz 127 0.5726 1.6841 1.7148 3.2107 3.1930 3.7202 3.9792 2.7113 -4.6262 0.4213 0.1443 -0.0836 0.0914 0.0236 0.1042 0.4498 0.4295 0.4603 0.0000 -0.6390 -0.5084 -0.2405 -0.2306 0.0000 0.0000 0.0000 165.1277 T0383.try6-opt2.pdb.gz 127 0.5296 1.6982 1.6388 3.1859 3.2127 3.7573 3.9227 4.4676 -4.6815 0.5194 0.1160 -0.1024 0.1138 0.0315 0.0351 0.5506 0.5592 0.5642 0.0000 -0.5136 -0.4193 -0.2579 -0.2372 0.0000 0.0000 0.0000 165.4785 T0383.try3-opt2.repack-nonPC.pdb.gz 127 0.5645 1.6403 1.7588 3.0079 3.0058 3.7108 3.9709 2.9678 -6.3563 0.2125 0.0832 -0.1792 0.0444 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