# 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 + 1000 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 20 * hbond_geom + 50 * hbond_geom_backbone + 100 * hbond_geom_beta + 200 * 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 T0324.try6-opt2.pdb.gz 208 0.5554 1.6845 1.7233 3.1334 2.9601 3.1801 3.3851 0.0020 -3.9940 0.9698 0.1759 -0.0973 0.2901 0.1683 0.0269 0.2123 0.2913 0.2611 -0.2058 -0.6785 -0.4903 -0.1496 -0.1146 0.0000 0.0000 0.0000 138.8536 T0324.try5-opt2.pdb.gz 208 0.5449 1.6808 1.7019 3.0155 2.9325 3.1897 3.3960 0.0452 -4.8782 0.7366 0.1639 -0.1734 0.2381 0.0625 0.0436 -0.0386 0.0114 0.0035 -0.1896 -0.7023 -0.5131 -0.1508 -0.1215 0.0000 0.0000 0.0000 141.4002 T0324.try6-opt2.repack-nonPC.pdb.gz 208 0.5533 1.6845 1.7233 3.2437 2.9813 3.1847 3.3771 -0.0108 -3.8221 0.9698 0.1759 -0.0973 0.2541 0.1683 0.0269 0.2123 0.2913 0.2611 -0.1851 -0.6496 -0.4903 -0.1496 -0.1146 0.0000 0.0000 0.0000 141.8274 T0324.try7-opt2.pdb.gz 208 0.5677 1.7065 1.7476 3.1190 3.0838 3.3677 3.5846 0.9324 -4.9990 0.5682 0.1237 -0.1842 0.2055 0.0481 0.0254 0.2606 0.3552 0.3134 -0.1394 -0.5804 -0.4472 -0.1253 -0.1109 0.0000 0.0000 0.0000 144.1298 T0324.try8-opt1.pdb 208 0.5609 1.6688 1.7272 3.0990 2.9793 3.1869 3.3916 0.0196 -3.5961 0.9423 0.2034 -0.0652 0.2242 0.1298 0.0283 0.1776 0.2478 0.2204 -0.1680 -0.6503 -0.4718 -0.1405 -0.1107 0.0000 0.0000 0.0000 144.5434 T0324.try5-opt2.repack-nonPC.pdb.gz 208 0.5602 1.6808 1.7019 3.1573 2.9539 3.2048 3.4000 0.0410 -4.6652 0.7366 0.1639 -0.1734 0.1536 0.0625 0.0436 -0.0386 0.0114 0.0035 -0.1497 -0.6822 -0.5131 -0.1508 -0.1215 0.0000 0.0000 0.0000 144.5969 T0324.try6-opt1.pdb.gz 208 0.5610 1.6932 1.7189 3.1974 2.9928 3.2100 3.3905 0.0142 -3.7769 1.1031 0.1931 -0.0721 0.3256 0.1683 0.0222 0.2126 0.2922 0.2615 -0.1588 -0.6287 -0.4652 -0.1388 -0.1047 0.0000 0.0000 0.0000 144.9816 T0324.try7-opt2.repack-nonPC.pdb.gz 208 0.5655 1.7065 1.7476 3.0957 3.1093 3.3745 3.5753 0.8857 -4.7453 0.5682 0.1237 -0.1842 0.1632 0.0481 0.0254 0.2606 0.3552 0.3134 -0.1062 -0.5568 -0.4472 -0.1253 -0.1109 0.0000 0.0000 0.0000 145.4443 T0324.try9-opt1.pdb 208 0.5648 1.7257 1.7583 3.1578 2.9804 3.2603 3.4344 0.1953 -4.0106 0.7566 0.1574 -0.0650 0.5749 0.1298 0.0181 0.1922 0.2406 0.2209 -0.0243 -0.5960 -0.4527 -0.1247 -0.0960 0.0000 0.0000 0.0000 148.9883 T0324.try8-opt1-scwrl.pdb 208 0.5702 1.6688 1.7272 3.1428 3.0227 3.2256 3.3908 -0.0345 -4.7732 0.9423 0.2034 -0.0652 0.5677 0.1298 0.0283 0.1776 0.2478 0.2204 -0.1589 -0.5793 -0.4718 -0.1405 -0.1107 0.0000 0.0000 0.0000 149.1737 T0324.try7-opt1.pdb.gz 208 0.5724 1.7148 1.7554 3.1756 3.1299 3.3829 3.5783 0.8171 -4.8511 0.5941 0.1206 -0.1427 0.3339 0.0577 0.0234 0.2839 0.3752 0.3336 -0.0884 -0.5391 -0.4350 -0.1219 -0.1074 0.0000 0.0000 0.0000 150.7040 T0324.try6-opt1-scwrl.pdb.gz 208 0.5656 1.6932 1.7189 3.2904 3.0640 3.2406 3.3851 -0.0461 -4.7379 1.1031 0.1931 -0.0721 0.6894 0.1683 0.0222 0.2126 0.2922 0.2615 -0.1521 -0.5873 -0.4652 -0.1388 -0.1047 0.0000 0.0000 0.0000 151.5489 T0324.try7-opt1-scwrl.pdb.gz 208 0.5696 1.7148 1.7554 3.2319 3.1466 3.3935 3.5789 0.8215 -5.2444 0.5941 0.1206 -0.1427 0.5120 0.0577 0.0234 0.2839 0.3752 0.3336 -0.0799 -0.5387 -0.4350 -0.1219 -0.1074 0.0000 0.0000 0.0000 153.6968 T0324.try5-opt1.pdb.gz 208 0.5544 1.6570 1.7119 3.0684 2.9337 3.2091 3.4029 0.0975 -4.8191 0.7940 0.1739 -0.1176 0.3137 0.0577 0.0532 -0.0543 -0.0069 -0.0232 -0.1764 -0.6803 -0.5049 -0.1470 -0.1189 0.0000 0.0000 0.0000 156.5090 T0324.try9-opt1-scwrl.pdb 208 0.5749 1.7257 1.7583 3.3602 3.0743 3.3454 3.4196 0.0864 -4.6724 0.7566 0.1574 -0.0650 0.7820 0.1298 0.0181 0.1922 0.2406 0.2209 0.0231 -0.5826 -0.4527 -0.1247 -0.0960 0.0000 0.0000 0.0000 156.6132 T0324.try5-opt2.gromacs0.pdb.gz 208 0.5506 1.6981 1.7177 3.0443 2.9434 3.1996 3.3993 0.0463 -3.4165 0.4043 0.2622 -0.1233 0.0550 0.0337 0.0469 0.3691 0.4601 0.4510 -0.1830 -0.6569 -0.4673 -0.1403 -0.1098 0.0000 0.0000 0.0000 158.1731 T0324.try1-opt2.pdb.gz 208 0.5603 1.7284 1.7430 3.0422 2.9644 3.2846 3.5236 0.6807 -5.0312 0.6559 0.1351 -0.1652 0.2343 0.0577 0.0462 0.1432 0.1994 0.1737 -0.1000 -0.6172 -0.4693 -0.1289 -0.1077 0.0000 0.0000 0.0000 158.3357 T0324.try1-opt2.repack-nonPC.pdb.gz 208 0.5749 1.7284 1.7430 3.0483 3.0121 3.3182 3.5370 0.6652 -4.6767 0.6559 0.1351 -0.1652 0.1988 0.0577 0.0462 0.1432 0.1994 0.1737 -0.0997 -0.6137 -0.4693 -0.1289 -0.1077 0.0000 0.0000 0.0000 161.2744 T0324.try5-opt1-scwrl.pdb.gz 208 0.5650 1.6570 1.7119 3.1651 3.0243 3.2539 3.3971 0.0278 -5.4039 0.7940 0.1739 -0.1176 0.4851 0.0577 0.0532 -0.0543 -0.0069 -0.0232 -0.1389 -0.6375 -0.5049 -0.1470 -0.1189 0.0000 0.0000 0.0000 162.1686 T0324.try1-opt2.gromacs0.pdb.gz 208 0.5662 1.7087 1.7569 3.0635 2.9836 3.2900 3.5246 0.6817 -3.6509 0.4457 0.2497 -0.1095 0.0483 0.0385 0.0424 0.5370 0.6402 0.5964 -0.0887 -0.6189 -0.4529 -0.1281 -0.1010 0.0000 0.0000 0.0000 163.7940 T0324.try1-opt1.pdb.gz 208 0.5691 1.7141 1.7418 3.1195 3.0167 3.3127 3.5316 0.7256 -4.8909 0.6260 0.1343 -0.1404 0.3644 0.0769 0.0432 0.1629 0.2220 0.2001 -0.0691 -0.5685 -0.4564 -0.1230 -0.1031 0.0000 0.0000 0.0000 165.0560 T0324.try7-opt2.gromacs0.pdb.gz 208 0.5703 1.7218 1.7310 3.1081 3.1007 3.3707 3.5890 0.9331 -3.8172 0.3435 0.2342 -0.0940 0.0421 0.0385 0.0392 0.5516 0.6666 0.6222 -0.1096 -0.5724 -0.4286 -0.1249 -0.1054 0.0000 0.0000 0.0000 165.5921 T0324.try1-opt1-scwrl.pdb.gz 208 0.5821 1.7141 1.7418 3.1466 3.0461 3.3416 3.5379 0.7095 -5.2304 0.6260 0.1343 -0.1404 0.5309 0.0769 0.0432 0.1629 0.2220 0.2001 -0.0587 -0.5746 -0.4564 -0.1230 -0.1031 0.0000 0.0000 0.0000 168.2912 T0324.try2-opt2.pdb.gz 208 0.5524 1.6872 1.7247 3.0820 3.0257 3.3389 3.5422 0.8152 -5.2773 0.5630 0.1514 -0.1490 0.2641 0.0385 0.0837 0.0577 0.0983 0.0957 -0.1376 -0.6729 -0.5040 -0.1397 -0.1145 0.0000 0.0000 0.0000 191.3308 T0324.try2-opt1.pdb.gz 208 0.5610 1.6875 1.7424 3.1468 3.0449 3.3452 3.5546 0.8134 -4.8249 0.5877 0.1433 -0.1172 0.3229 0.0433 0.0743 0.1630 0.2125 0.2025 -0.1025 -0.6100 -0.4757 -0.1309 -0.1068 0.0000 0.0000 0.0000 193.4214 T0324.try2-opt2.repack-nonPC.pdb.gz 208 0.5718 1.6872 1.7247 3.1198 3.0463 3.3424 3.5327 0.7571 -4.9653 0.5630 0.1514 -0.1490 0.1800 0.0385 0.0837 0.0577 0.0983 0.0957 -0.1069 -0.6355 -0.5040 -0.1397 -0.1145 0.0000 0.0000 0.0000 193.4224 T0324.try2-opt1-scwrl.pdb.gz 208 0.5610 1.6875 1.7424 3.1599 3.0665 3.3452 3.5632 0.7671 -5.1416 0.5877 0.1433 -0.1172 0.5149 0.0433 0.0743 0.1630 0.2125 0.2025 -0.0664 -0.5896 -0.4757 -0.1309 -0.1068 0.0000 0.0000 0.0000 197.0256 T0324.try6-opt2.gromacs0.pdb.gz 208 0.5613 1.7052 1.6998 3.0941 2.9680 3.1931 3.3884 0.0005 -2.7278 0.4980 0.2993 -0.0548 0.0715 0.0913 0.0818 0.4216 0.5178 0.5033 -0.1916 -0.6380 -0.4514 -0.1433 -0.1040 0.0000 0.0000 0.0000 201.5536 T0324.try2-opt2.gromacs0.pdb.gz 208 0.5542 1.6925 1.7263 3.0841 3.0460 3.3308 3.5421 0.8165 -3.8561 0.6841 0.2648 -0.1122 0.0562 0.0288 0.0853 0.4503 0.5432 0.5122 -0.1170 -0.6369 -0.4676 -0.1382 -0.1137 0.0000 0.0000 0.0000 203.7250 T0324.try4-opt2.gromacs0.pdb.gz 208 0.5451 1.6952 1.7036 3.0476 2.9606 3.1979 3.4027 0.1056 -3.3204 0.5953 0.3059 -0.0619 0.0766 0.1202 0.1035 0.3381 0.4218 0.4062 -0.1786 -0.6773 -0.4718 -0.1445 -0.1086 0.0000 0.0000 0.0000 216.9062 T0324.try3-opt2.gromacs0.pdb.gz 208 0.5597 1.6986 1.7150 3.0898 3.0007 3.2164 3.4017 0.0599 -3.3465 0.6632 0.3097 -0.0555 0.1030 0.1250 0.1015 0.3068 0.3894 0.3743 -0.1665 -0.6312 -0.4507 -0.1399 -0.1043 0.0000 0.0000 0.0000 220.8891 T0324.try4-opt2.pdb.gz 208 0.5419 1.6658 1.7034 3.0203 2.9399 3.1886 3.4019 0.1066 -5.3968 0.4376 0.2268 -0.1158 0.2546 0.1106 0.1419 -0.1414 -0.1214 -0.1245 -0.1993 -0.7322 -0.5246 -0.1580 -0.1246 0.0000 0.0000 0.0000 233.8717 T0324.try3-opt1.pdb.gz 208 0.5565 1.6865 1.7336 3.1216 3.0232 3.2389 3.4024 0.0563 -4.9665 0.4715 0.2178 -0.1050 0.4119 0.0817 0.1226 0.0242 0.0645 0.0408 -0.1050 -0.6336 -0.4721 -0.1319 -0.1050 0.0000 0.0000 0.0000 237.4036 T0324.try4-opt2.repack-nonPC.pdb.gz 208 0.5498 1.6658 1.7034 3.1133 2.9940 3.2126 3.4049 0.0860 -5.0707 0.4376 0.2268 -0.1158 0.1967 0.1106 0.1419 -0.1414 -0.1214 -0.1245 -0.1686 -0.6807 -0.5246 -0.1580 -0.1246 0.0000 0.0000 0.0000 238.6118 T0324.try4-opt1.pdb.gz 208 0.5500 1.6782 1.7082 3.0516 2.9621 3.1988 3.4077 0.1001 -5.4743 0.4323 0.2248 -0.1230 0.2737 0.1058 0.1432 -0.1382 -0.1096 -0.1228 -0.1790 -0.6919 -0.5128 -0.1517 -0.1210 0.0000 0.0000 0.0000 239.3228 T0324.try3-opt1-scwrl.pdb.gz 208 0.5757 1.6865 1.7336 3.1941 3.0908 3.3023 3.3948 0.0741 -5.4343 0.4715 0.2178 -0.1050 0.4737 0.0817 0.1226 0.0242 0.0645 0.0408 -0.0931 -0.5931 -0.4721 -0.1319 -0.1050 0.0000 0.0000 0.0000 240.9053 T0324.try3-opt2.pdb.gz 208 0.5536 1.6745 1.7317 3.0532 2.9786 3.2037 3.4011 0.0580 -5.4302 0.4215 0.2272 -0.1233 0.3017 0.1058 0.1448 -0.1318 -0.0980 -0.1124 -0.1706 -0.6889 -0.5036 -0.1482 -0.1186 0.0000 0.0000 0.0000 243.6752 T0324.try3-opt2.repack-nonPC.pdb.gz 208 0.5587 1.6745 1.7317 3.1573 3.0158 3.2223 3.4055 0.0526 -4.9439 0.4215 0.2272 -0.1233 0.2137 0.1058 0.1448 -0.1318 -0.0980 -0.1124 -0.1538 -0.6715 -0.5036 -0.1482 -0.1186 0.0000 0.0000 0.0000 247.5324 T0324.try4-opt1-scwrl.pdb.gz 208 0.5674 1.6782 1.7082 3.1868 3.0543 3.2571 3.4024 0.0351 -5.7572 0.4323 0.2248 -0.1230 0.5133 0.1058 0.1432 -0.1382 -0.1096 -0.1228 -0.1534 -0.6427 -0.5128 -0.1517 -0.1210 0.0000 0.0000 0.0000 248.7896