# 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 + 20 * 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 T0316.try8-opt2.pdb.gz 373 0.5389 1.7618 1.7972 3.0453 3.0765 3.4728 3.5943 1.2560 -4.8292 0.4666 0.1839 -0.1988 0.2731 0.1046 0.1051 0.2961 0.2993 0.2668 0.0000 -0.5288 -0.3883 -0.1833 -0.1348 0.0000 0.0000 0.0000 168.1750 T0316.try14-opt2.pdb.gz 373 0.5452 1.7582 1.8425 3.0901 3.1163 3.4695 3.5839 0.6643 -4.8792 0.5700 0.1547 -0.1872 0.1763 0.0804 0.0517 0.3331 0.3173 0.3015 0.0000 -0.5033 -0.3622 -0.1573 -0.1119 0.0000 0.0000 0.0000 168.1990 T0316.try10-opt2.pdb.gz 373 0.5493 1.7640 1.8281 3.0977 3.1209 3.4712 3.5900 0.7399 -4.8515 0.5045 0.1503 -0.1823 0.1694 0.0751 0.0531 0.3716 0.3308 0.3226 0.0000 -0.4965 -0.3592 -0.1575 -0.1114 0.0000 0.0000 0.0000 168.5984 T0316.try12-opt2.pdb.gz 373 0.5516 1.8081 1.8211 3.0945 3.0446 3.4194 3.5321 1.2633 -4.7103 0.4971 0.1754 -0.1512 0.3289 0.0670 0.0916 0.3389 0.3206 0.3025 0.0000 -0.5038 -0.3680 -0.1713 -0.1323 0.0000 0.0000 0.0000 170.3582 T0316.try14-opt1.pdb.gz 373 0.5457 1.7582 1.8409 3.1081 3.1418 3.4713 3.5926 0.6979 -4.7314 0.6000 0.1554 -0.1756 0.2290 0.0751 0.0551 0.3353 0.3156 0.3046 0.0000 -0.4956 -0.3605 -0.1563 -0.1113 0.0000 0.0000 0.0000 171.4575 T0316.try14-opt2.repack-nonPC.pdb.gz 373 0.5454 1.7582 1.8425 3.1414 3.1679 3.4961 3.5860 0.7093 -4.4893 0.5700 0.1547 -0.1872 0.1238 0.0804 0.0517 0.3331 0.3173 0.3015 0.0000 -0.4868 -0.3622 -0.1573 -0.1119 0.0000 0.0000 0.0000 171.4821 T0316.try10-opt1.pdb.gz 373 0.5481 1.7638 1.8398 3.1050 3.1357 3.4779 3.5976 0.7736 -4.7276 0.5661 0.1561 -0.1812 0.2238 0.0751 0.0583 0.3598 0.3211 0.3125 0.0000 -0.4967 -0.3579 -0.1574 -0.1114 0.0000 0.0000 0.0000 171.5345 T0316.try8-opt2.repack-nonPC.pdb.gz 373 0.5441 1.7618 1.7972 3.1295 3.1498 3.5230 3.6044 1.2997 -4.4796 0.4666 0.1839 -0.1988 0.1858 0.1046 0.1051 0.2961 0.2993 0.2668 0.0000 -0.5257 -0.3883 -0.1833 -0.1348 0.0000 0.0000 0.0000 171.8907 T0316.try6-opt2.pdb.gz 373 0.5480 1.7643 1.8324 3.1109 3.1347 3.4712 3.5966 0.7243 -4.8364 0.4540 0.1683 -0.1728 0.2713 0.0858 0.0758 0.3167 0.3050 0.2962 0.0000 -0.4932 -0.3625 -0.1578 -0.1115 0.0000 0.0000 0.0000 172.0588 T0316.try10-opt2.repack-nonPC.pdb.gz 373 0.5469 1.7640 1.8281 3.1320 3.1779 3.4936 3.5850 0.7802 -4.4058 0.5045 0.1503 -0.1823 0.1326 0.0751 0.0531 0.3716 0.3308 0.3226 0.0000 -0.4864 -0.3592 -0.1575 -0.1114 0.0000 0.0000 0.0000 172.1539 T0316.try12-opt2.repack-nonPC.pdb.gz 373 0.5478 1.8081 1.8211 3.1499 3.0914 3.4488 3.5338 1.3025 -4.2188 0.4971 0.1754 -0.1512 0.2238 0.0670 0.0916 0.3389 0.3206 0.3025 0.0000 -0.5192 -0.3680 -0.1713 -0.1323 0.0000 0.0000 0.0000 172.8725 T0316.try8-opt1.pdb.gz 373 0.5421 1.7589 1.7984 3.0928 3.1036 3.4909 3.6050 1.3424 -4.7981 0.4745 0.1849 -0.2043 0.3548 0.1206 0.1087 0.4363 0.3876 0.3732 0.0000 -0.5063 -0.3780 -0.1767 -0.1326 0.0000 0.0000 0.0000 173.4243 T0316.try6-opt2.repack-nonPC.pdb.gz 373 0.5546 1.7643 1.8324 3.1579 3.1855 3.5059 3.6002 0.7748 -4.4606 0.4540 0.1683 -0.1728 0.1948 0.0858 0.0758 0.3167 0.3050 0.2962 0.0000 -0.4774 -0.3625 -0.1578 -0.1115 0.0000 0.0000 0.0000 174.9461 T0316.try12-opt1.pdb.gz 373 0.5506 1.8062 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