# 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 + 20 * n_ca_c + 20 * bad_peptide + 8 * sidechain + 8 * bystroff + 60 * 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 ) 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 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 T0308.try5-opt2.pdb.gz 165 0.5394 1.6648 1.6989 2.9567 2.9485 3.2070 3.4095 -0.7984 0.2906 0.1557 -5.4580 -0.1624 0.0941 0.0545 0.0430 0.1271 0.1426 0.1114 -0.6592 -0.5026 -0.2052 -0.1840 0.0000 134.6364 T0308.try4-opt2.pdb.gz 165 0.5528 1.6490 1.6758 3.0412 3.0053 3.2169 3.4234 -0.7869 0.2389 0.1839 -4.9175 -0.2270 0.0365 0.0061 0.0085 0.4639 0.4840 0.5150 -0.6616 -0.4858 -0.1953 -0.1692 0.0000 136.7034 T0308.try7-opt2.pdb.gz 165 0.5533 1.6274 1.7261 3.0117 2.9610 3.2139 3.4333 -0.7759 0.3935 0.2049 -5.4037 -0.2149 0.0339 0.0061 0.0420 0.2273 0.2377 0.2274 -0.6594 -0.4862 -0.2001 -0.1845 0.0000 136.9032 T0308.try5-opt1.pdb.gz 165 0.5438 1.6582 1.7044 2.9814 2.9636 3.2160 3.4123 -0.7964 0.2872 0.1572 -5.3060 -0.1568 0.0745 0.0364 0.0479 0.1396 0.1612 0.1282 -0.6595 -0.4896 -0.2000 -0.1769 0.0000 137.7982 T0308.try8-opt2.pdb.gz 165 0.5487 1.6485 1.7424 3.0389 2.9798 3.2159 3.4344 -0.7808 0.4011 0.2195 -5.3404 -0.2150 0.0260 0.0061 0.0476 0.1961 0.2268 0.2108 -0.6628 -0.4802 -0.2013 -0.1868 0.0000 138.9601 T0308.try2-chimera-opt2.pdb.gz 165 0.5479 1.6610 1.7075 2.9842 2.9726 3.2175 3.4116 -0.7970 0.2744 0.1563 -5.2780 -0.1624 0.0871 0.0364 0.0502 0.1185 0.1354 0.1067 -0.6641 -0.4854 -0.1971 -0.1746 0.0000 139.3723 T0308.try5-opt2.repack-nonPC.pdb.gz 165 0.5630 1.6648 1.6989 3.0730 3.0151 3.2364 3.4202 -0.7954 0.2906 0.1557 -5.2178 -0.1624 0.0802 0.0545 0.0430 0.1271 0.1426 0.1114 -0.6585 -0.5026 -0.2052 -0.1840 0.0000 139.6643 T0308.try4-opt2.repack-nonPC.pdb.gz 165 0.5716 1.6490 1.6758 3.0784 3.0491 3.2404 3.4382 -0.7850 0.2389 0.1839 -4.6458 -0.2270 0.0224 0.0061 0.0085 0.4639 0.4840 0.5150 -0.6426 -0.4858 -0.1953 -0.1692 0.0000 140.2669 T0308.try7-opt1.pdb.gz 165 0.5559 1.6269 1.7200 3.0324 2.9742 3.2165 3.4332 -0.7746 0.3867 0.2059 -5.2245 -0.1892 0.0389 0.0061 0.0424 0.2627 0.2762 0.2662 -0.6670 -0.4856 -0.1972 -0.1811 0.0000 140.3455 T0308.try3-opt2.pdb.gz 165 0.5473 1.6586 1.6983 3.0025 2.9655 3.2241 3.4168 -0.7923 0.2602 0.1584 -5.2529 -0.1309 0.1147 0.0485 0.0489 0.1421 0.1649 0.1309 -0.6650 -0.4795 -0.1909 -0.1750 0.0000 141.8320 T0308.try3-opt2.repack-nonPC.pdb.gz 165 0.5640 1.6586 1.6983 3.0569 3.0119 3.2293 3.4170 -0.7938 0.2602 0.1584 -5.2470 -0.1309 0.0919 0.0485 0.0489 0.1421 0.1649 0.1309 -0.6512 -0.4795 -0.1909 -0.1750 0.0000 142.6517 T0308.try6-opt2.pdb.gz 165 0.5519 1.6347 1.7219 3.0525 2.9923 3.2276 3.4333 -0.7743 0.3826 0.2089 -5.1324 -0.1873 0.0476 0.0061 0.0424 0.3079 0.3346 0.3363 -0.6682 -0.4810 -0.1963 -0.1806 0.0000 143.2575 T0308.try4-opt1.pdb.gz 165 0.5669 1.6644 1.6779 3.0733 3.0397 3.2448 3.4284 -0.7869 0.2106 0.1977 -4.6981 -0.1952 0.0654 0.0061 0.0090 0.4649 0.4850 0.5160 -0.6094 -0.4741 -0.1870 -0.1616 0.0000 143.7254 T0308.try8-opt2.repack-nonPC.pdb.gz 165 0.5729 1.6485 1.7424 3.1205 3.0430 3.2398 3.4328 -0.7827 0.4011 0.2195 -5.0553 -0.2150 0.0215 0.0061 0.0476 0.1961 0.2268 0.2108 -0.6418 -0.4802 -0.2013 -0.1868 0.0000 144.2747 T0308.try8-opt1.pdb.gz 165 0.5602 1.6542 1.7460 3.0905 3.0196 3.2360 3.4394 -0.7759 0.3481 0.2349 -4.8881 -0.1947 0.0219 0.0061 0.0479 0.2273 0.2641 0.2423 -0.6565 -0.4824 -0.1974 -0.1824 0.0000 144.9704 T0308.try7-opt2.repack-nonPC.pdb.gz 165 0.5624 1.6274 1.7261 3.1752 3.0595 3.2713 3.4402 -0.7787 0.3935 0.2049 -5.0127 -0.2149 0.0263 0.0061 0.0420 0.2273 0.2377 0.2274 -0.6580 -0.4862 -0.2001 -0.1845 0.0000 145.0332 T0308.try4-opt1-scwrl.pdb.gz 165 0.5695 1.6644 1.6779 3.1149 3.0670 3.2639 3.4278 -0.7877 0.2106 0.1977 -4.8267 -0.1952 0.0824 0.0061 0.0090 0.4649 0.4850 0.5160 -0.6111 -0.4741 -0.1870 -0.1616 0.0000 145.2006 T0308.try2-chimera-opt1.pdb.gz 165 0.5639 1.6596 1.7209 3.0310 3.0118 3.2326 3.4184 -0.7953 0.2805 0.1571 -5.0330 -0.1533 0.0912 0.0424 0.0442 0.2904 0.3259 0.3046 -0.6398 -0.4803 -0.1932 -0.1716 0.0000 145.5918 T0308.try3-opt1.pdb.gz 165 0.5568 1.6575 1.7055 3.0409 2.9981 3.2261 3.4170 -0.7960 0.2628 0.1642 -5.1675 -0.1272 0.1211 0.0545 0.0514 0.1397 0.1652 0.1307 -0.6410 -0.4735 -0.1871 -0.1711 0.0000 145.7835 T0308.try1-opt2.pdb.gz 165 0.5572 1.6490 1.6971 3.0166 3.0064 3.2234 3.4153 -0.7971 0.2665 0.1612 -5.1236 -0.1176 0.1295 0.0485 0.0409 0.4106 0.4754 0.4495 -0.5936 -0.4721 -0.1865 -0.1717 0.0000 148.1623 T0308.try6-opt2.repack-nonPC.pdb.gz 165 0.5547 1.6347 1.7219 3.1630 3.0743 3.2565 3.4352 -0.7779 0.3826 0.2089 -4.7863 -0.1873 0.0255 0.0061 0.0424 0.3079 0.3346 0.3363 -0.6796 -0.4810 -0.1963 -0.1806 0.0000 148.4144 T0308.try5-opt1-scwrl.pdb.gz 165 0.5592 1.6582 1.7044 3.0716 3.0380 3.2609 3.4272 -0.7969 0.2872 0.1572 -5.6848 -0.1568 0.2586 0.0364 0.0479 0.1396 0.1612 0.1282 -0.6074 -0.4896 -0.2000 -0.1769 0.0000 149.8969 T0308.try5-opt2.gromacs0.pdb.gz 165 0.5411 1.6856 1.7216 3.0187 2.9762 3.2229 3.4116 -0.7982 0.2200 0.2457 -4.0996 -0.1219 0.0230 0.0303 0.0273 0.6941 0.7366 0.7375 -0.6448 -0.4814 -0.1938 -0.1688 0.0000 150.3230 T0308.try7-opt2.gromacs0.pdb.gz 165 0.5552 1.6665 1.7524 3.0665 2.9874 3.2200 3.4399 -0.7756 0.2240 0.2727 -4.1194 -0.1802 0.0077 0.0000 0.0400 0.6334 0.6276 0.6379 -0.6473 -0.4662 -0.1903 -0.1769 0.0000 151.6117 T0308.try6-opt1.pdb.gz 165 0.5582 1.6406 1.7335 3.1055 3.0410 3.2417 3.4381 -0.7703 0.3615 0.2126 -4.9452 -0.1602 0.0870 0.0061 0.0418 0.3225 0.3511 0.3503 -0.6452 -0.4638 -0.1840 -0.1643 0.0000 151.7809 T0308.try6-opt2.gromacs0.pdb.gz 165 0.5531 1.6413 1.7488 3.0907 3.0219 3.2286 3.4351 -0.7751 0.2371 0.2648 -4.2637 -0.1716 0.0103 0.0000 0.0358 0.6303 0.6294 0.6413 -0.6517 -0.4506 -0.1860 -0.1710 0.0000 151.8869 T0308.try1-opt2.repack-nonPC.pdb.gz 165 0.5680 1.6490 1.6971 3.1000 3.0612 3.2658 3.4260 -0.7873 0.2665 0.1612 -4.6769 -0.1176 0.0965 0.0485 0.0409 0.4106 0.4754 0.4495 -0.6328 -0.4721 -0.1865 -0.1717 0.0000 152.7819 T0308.try2-chimera-opt1-scwrl.pdb.gz 165 0.5648 1.6596 1.7209 3.0719 3.0475 3.2651 3.4325 -0.7951 0.2805 0.1571 -5.5407 -0.1533 0.2477 0.0424 0.0442 0.2904 0.3259 0.3046 -0.5909 -0.4803 -0.1932 -0.1716 0.0000 153.0608 T0308.try3-opt2.gromacs0.pdb.gz 165 0.5469 1.6806 1.7123 3.0347 2.9790 3.2281 3.4206 -0.7929 0.2586 0.2371 -4.0010 -0.0988 0.0194 0.0182 0.0273 0.6968 0.7557 0.7563 -0.6637 -0.4606 -0.1752 -0.1627 0.0000 153.9289 T0308.try5-opt2.gromacs0.repack-nonPC.pdb.gz 165 0.5588 1.6856 1.7216 3.1188 3.0298 3.2460 3.4236 -0.7973 0.2200 0.2457 -4.0244 -0.1219 0.0219 0.0303 0.0273 0.6941 0.7366 0.7375 -0.6418 -0.4814 -0.1938 -0.1688 0.0000 154.1220 T0308.try4-opt2.gromacs0.pdb.gz 165 0.5528 1.6791 1.6930 3.0539 3.0242 3.2293 3.4258 -0.7883 0.1896 0.2531 -4.0450 -0.1759 0.0093 0.0061 0.0396 0.6001 0.6382 0.6659 -0.6535 -0.4662 -0.1853 -0.1535 0.0000 154.1447 T0308.try7-opt1-scwrl.pdb.gz 165 0.5675 1.6269 1.7200 3.1445 3.0949 3.2804 3.4406 -0.7743 0.3867 0.2059 -5.4924 -0.1892 0.2149 0.0061 0.0424 0.2627 0.2762 0.2662 -0.6133 -0.4856 -0.1972 -0.1811 0.0000 154.2929 T0308.try8-opt2.gromacs0.pdb.gz 165 0.5546 1.6867 1.7519 3.0719 2.9989 3.2138 3.4359 -0.7819 0.2523 0.2860 -3.9247 -0.1941 0.0059 0.0061 0.0520 0.6538 0.6263 0.6387 -0.6429 -0.4559 -0.1931 -0.1792 0.0000 156.2838 T0308.try3-opt1-scwrl.pdb.gz 165 0.5678 1.6575 1.7055 3.0805 3.0363 3.2561 3.4281 -0.7911 0.2628 0.1642 -5.5485 -0.1272 0.3077 0.0545 0.0514 0.1397 0.1652 0.1307 -0.5752 -0.4735 -0.1871 -0.1711 0.0000 156.3022 T0308.try4-opt2.gromacs0.repack-nonPC.pdb.gz 165 0.5662 1.6791 1.6930 3.0988 3.0595 3.2505 3.4302 -0.7916 0.1896 0.2531 -3.9963 -0.1759 0.0077 0.0061 0.0396 0.6001 0.6382 0.6659 -0.6458 -0.4662 -0.1853 -0.1535 0.0000 156.3903 T0308.try8-opt1-scwrl.pdb.gz 165 0.5706 1.6542 1.7460 3.1663 3.0795 3.2550 3.4397 -0.7832 0.3481 0.2349 -5.4675 -0.1947 0.2595 0.0061 0.0479 0.2273 0.2641 0.2423 -0.6427 -0.4824 -0.1974 -0.1824 0.0000 157.4215 T0308.try1-opt2.gromacs0.pdb.gz 165 0.5575 1.6756 1.7206 3.0540 3.0181 3.2458 3.4158 -0.7974 0.2658 0.2612 -4.2556 -0.1135 0.0220 0.0242 0.0434 0.6655 0.7241 0.7123 -0.5965 -0.4560 -0.1710 -0.1592 0.0000 157.7631 T0308.try7-opt2.gromacs0.repack-nonPC.pdb.gz 165 0.5644 1.6665 1.7524 3.1566 3.0577 3.2668 3.4483 -0.7726 0.2240 0.2727 -3.8617 -0.1802 0.0223 0.0000 0.0400 0.6334 0.6276 0.6379 -0.6207 -0.4662 -0.1903 -0.1769 0.0000 158.3280 T0308.try6-opt2.gromacs0.repack-nonPC.pdb.gz 165 0.5673 1.6413 1.7488 3.1856 3.0868 3.2719 3.4402 -0.7743 0.2371 0.2648 -3.9584 -0.1716 0.0236 0.0000 0.0358 0.6303 0.6294 0.6413 -0.6132 -0.4506 -0.1860 -0.1710 0.0000 158.9271 T0308.try8-opt2.gromacs0.repack-nonPC.pdb.gz 165 0.5663 1.6867 1.7519 3.1765 3.0523 3.2407 3.4362 -0.7900 0.2523 0.2860 -3.9035 -0.1941 0.0166 0.0061 0.0520 0.6538 0.6263 0.6387 -0.6350 -0.4559 -0.1931 -0.1792 0.0000 160.3356 T0308.try1-opt1-scwrl.pdb.gz 165 0.5691 1.6703 1.6922 3.0938 3.0773 3.2541 3.4193 -0.7996 0.2320 0.1722 -5.2601 -0.1149 0.2598 0.0606 0.0574 0.4554 0.5114 0.4872 -0.5737 -0.4580 -0.1764 -0.1631 0.0000 163.1634 T0308.try1-opt1.pdb.gz 165 0.5712 1.6703 1.6922 3.0856 3.0721 3.2551 3.4197 -0.7984 0.2320 0.1722 -5.2791 -0.1149 0.2671 0.0606 0.0574 0.4554 0.5114 0.4872 -0.5576 -0.4580 -0.1764 -0.1631 0.0000 163.3577 T0308.try6-opt1-scwrl.pdb.gz 165 0.5699 1.6406 1.7335 3.1652 3.0994 3.2737 3.4391 -0.7827 0.3615 0.2126 -5.2084 -0.1602 0.3404 0.0061 0.0418 0.3225 0.3511 0.3503 -0.6080 -0.4638 -0.1840 -0.1643 0.0000 167.7602 tr308-scwrl.pdb.gz 165 0.5774 1.6314 1.6958 3.2074 3.1588 3.3294 3.4647 -0.7756 0.2158 0.2559 -4.2330 -0.1240 0.2211 0.0000 0.0434 0.5934 0.6132 0.6156 -0.5819 -0.4490 -0.1805 -0.1588 0.0000 173.8312 tr308.pdb.gz 165 0.5775 1.6314 1.6958 3.2273 3.1047 3.3113 3.4494 -0.7802 0.2158 0.2559 -1.8632 -0.1240 0.0088 0.0000 0.0434 0.5934 0.6132 0.6156 -0.7888 -0.4490 -0.1805 -0.1588 0.0000 177.8790 T0308.try1-opt2-chimera-D120-H142-mod16.pdb.gz 162 0.5506 1.6172 1.6272 3.0000 3.0121 3.2039 3.4013 -0.6571 0.8679 0.4302 -4.3991 -0.0408 0.6929 0.2000 0.0000 0.2178 0.3439 0.2717 -0.5621 -0.4483 -0.1683 -0.1558 20.0000 217.9901