# 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 + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 50 * soft_clashes + 2 * backbone_clashes + 200 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms + 10 * deep_knot ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit n_ca_c bad_peptide sidechain bystroff soft_clashes backbone_clashes break pred_alpha2k pred_alpha04 pred_alpha06 hbond_geom hbond_geom_backbone hbond_geom_beta hbond_geom_beta_pair missing_atoms deep_knot 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 T0321.try14-opt2.pdb.gz 251 0.5635 1.7486 1.7589 2.9469 3.0220 3.3553 3.5260 0.3736 0.3479 0.1828 -4.8408 -0.1359 0.0892 0.0319 0.0522 0.1654 0.2065 0.2092 -0.5234 -0.4017 -0.1886 -0.1642 0.0000 0.0000 166.0283 T0321.try14-opt1.pdb.gz 251 0.5653 1.7512 1.7605 2.9572 3.0221 3.3493 3.5226 0.3419 0.3549 0.1919 -4.8628 -0.1324 0.1206 0.0319 0.0580 0.1504 0.1855 0.1916 -0.5176 -0.4003 -0.1873 -0.1627 0.0000 0.0000 169.0094 T0321.try14-opt2.repack-nonPC.pdb.gz 251 0.5676 1.7486 1.7589 3.0257 3.0961 3.4053 3.5332 0.4218 0.3479 0.1828 -4.6113 -0.1359 0.0805 0.0319 0.0522 0.1654 0.2065 0.2092 -0.5010 -0.4017 -0.1886 -0.1642 0.0000 0.0000 170.4667 T0321.try13-opt2.pdb.gz 251 0.5664 1.7470 1.7646 2.9331 3.0141 3.3379 3.5195 0.3102 0.3351 0.1988 -4.9220 -0.1324 0.1498 0.0319 0.0687 0.1513 0.1864 0.1925 -0.5185 -0.4014 -0.1869 -0.1623 0.0000 0.0000 171.5434 T0321.try13-opt1.pdb.gz 251 0.5685 1.7541 1.7790 2.9558 3.0281 3.3486 3.5254 0.2964 0.4639 0.1974 -4.6334 -0.1280 0.1315 0.0239 0.0603 0.1761 0.2149 0.2181 -0.5231 -0.3951 -0.1832 -0.1585 0.0000 0.0000 173.5192 T0321.try13-opt2.repack-nonPC.pdb.gz 251 0.5647 1.7470 1.7646 3.0313 3.0918 3.3867 3.5258 0.3689 0.3351 0.1988 -4.7690 -0.1324 0.1136 0.0319 0.0687 0.1513 0.1864 0.1925 -0.4899 -0.4014 -0.1869 -0.1623 0.0000 0.0000 174.5251 T0321.try11-opt2.pdb.gz 251 0.5693 1.7747 1.8058 2.9571 3.0461 3.3520 3.5200 0.1534 0.4730 0.2020 -4.6035 -0.1283 0.1490 0.0438 0.0593 0.1836 0.2229 0.2291 -0.5049 -0.3861 -0.1752 -0.1517 0.0000 0.0000 176.3037 T0321.try11-opt2.repack-nonPC.pdb.gz 251 0.5670 1.7747 1.8058 3.0289 3.1089 3.3849 3.5181 0.2049 0.4730 0.2020 -4.5817 -0.1283 0.1147 0.0438 0.0593 0.1836 0.2229 0.2291 -0.4663 -0.3861 -0.1752 -0.1517 0.0000 0.0000 177.7766 T0321.try11-opt1.pdb.gz 251 0.5625 1.7721 1.7870 2.9962 3.0654 3.3764 3.5333 0.3511 0.4865 0.2107 -4.6124 -0.1325 0.1839 0.0478 0.0610 0.2274 0.2696 0.2763 -0.5270 -0.3897 -0.1792 -0.1575 0.0000 0.0000 179.8315 T0321.try9-opt2.pdb.gz 251 0.5614 1.7080 1.7745 3.0035 3.0852 3.4086 3.5644 1.1987 0.4275 0.2298 -4.7769 -0.1349 0.1281 0.0398 0.0803 0.1580 0.1933 0.1987 -0.5221 -0.3879 -0.1866 -0.1634 0.0000 0.0000 180.4594 T0321.try10-opt2.pdb.gz 251 0.5670 1.6998 1.7661 3.0379 3.1054 3.4251 3.5649 1.2188 0.5640 0.2153 -4.3558 -0.1433 0.0757 0.0598 0.0598 0.2823 0.3281 0.3262 -0.5235 -0.3887 -0.1825 -0.1551 0.0000 0.0000 180.6795 T0321.try9-opt2.repack-nonPC.pdb.gz 251 0.5688 1.7080 1.7745 3.0838 3.1608 3.4553 3.5769 1.2070 0.4275 0.2298 -4.6910 -0.1349 0.0999 0.0398 0.0803 0.1580 0.1933 0.1987 -0.4896 -0.3879 -0.1866 -0.1634 0.0000 0.0000 183.2528 T0321.try14-opt1-scwrl.pdb.gz 251 0.5678 1.7512 1.7605 3.0772 3.0952 3.3853 3.5227 0.3787 0.3549 0.1919 -5.3910 -0.1324 0.3780 0.0319 0.0580 0.1504 0.1855 0.1916 -0.4707 -0.4003 -0.1873 -0.1627 0.0000 0.0000 183.3851 T0321.try10-opt2.repack-nonPC.pdb.gz 251 0.5665 1.6998 1.7661 3.1262 3.1712 3.4750 3.5829 1.2620 0.5640 0.2153 -4.2772 -0.1433 0.0774 0.0598 0.0598 0.2823 0.3281 0.3262 -0.4867 -0.3887 -0.1825 -0.1551 0.0000 0.0000 184.8930 T0321.try12-opt2.pdb.gz 251 0.5668 1.7182 1.7601 2.9830 3.0787 3.4077 3.5641 1.2284 0.2894 0.2115 -5.7092 -0.1389 0.2350 0.0438 0.1256 -0.0069 0.0241 0.0244 -0.5292 -0.3961 -0.1900 -0.1587 0.0000 0.0000 186.2577 T0321.try10-opt1.pdb.gz 251 0.5672 1.7028 1.7894 3.0530 3.1127 3.4268 3.5656 1.2067 0.6081 0.2347 -3.9452 -0.1004 0.1042 0.0598 0.0565 0.4281 0.5061 0.4967 -0.5165 -0.3819 -0.1819 -0.1558 0.0000 0.0000 187.2524 T0321.try14-opt2.gromacs0.pdb.gz 251 0.5669 1.7487 1.7890 2.9786 3.0477 3.3658 3.5256 0.3722 0.3165 0.2670 -2.9266 -0.0465 0.0300 0.0239 0.0464 1.0647 1.1980 1.1810 -0.5192 -0.3912 -0.1817 -0.1594 0.0000 0.0000 187.3689 T0321.try12-opt1.pdb.gz 251 0.5676 1.7069 1.7635 2.9870 3.0894 3.4108 3.5700 1.2573 0.2908 0.2107 -5.6336 -0.1424 0.2375 0.0398 0.1273 0.0817 0.1063 0.1066 -0.5212 -0.3940 -0.1888 -0.1581 0.0000 0.0000 188.6111 T0321.try8-opt2.pdb.gz 251 0.5673 1.7081 1.7638 2.9835 3.0898 3.4138 3.5690 1.2562 0.2945 0.2111 -5.6691 -0.1382 0.2448 0.0398 0.1294 0.0313 0.0559 0.0562 -0.5194 -0.3939 -0.1888 -0.1581 0.0000 0.0000 188.7165 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