# 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) + 4 * phobic_fit + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 30 * soft_clashes + 2 * backbone_clashes + 50 * 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 T0285.try7-opt2.pdb.gz 125 0.5786 1.7805 1.7410 3.0357 3.0162 3.4179 3.5888 -0.1334 0.4196 0.1714 -5.1134 -0.0298 0.1263 0.0240 0.0986 0.1548 0.1098 0.1098 -0.5809 -0.4331 -0.1970 -0.1427 0.0000 161.5080 T0285.try7-opt2.repack-nonPC.pdb.gz 125 0.5705 1.7805 1.7410 3.0875 3.0688 3.4815 3.5944 -0.0974 0.4196 0.1714 -4.8417 -0.0298 0.1012 0.0240 0.0986 0.1548 0.1098 0.1098 -0.5549 -0.4331 -0.1970 -0.1427 0.0000 165.0776 T0285.try8-opt2.pdb.gz 125 0.5461 1.6061 1.5923 3.0473 3.0894 3.5172 3.6894 0.2310 0.0771 0.0911 -5.5875 -0.2290 0.1196 0.0160 0.0300 0.2818 0.2045 0.2045 -0.5099 -0.3759 -0.0980 -0.0811 0.0000 165.1201 T0285.try8-opt2.repack-nonPC.pdb.gz 125 0.5482 1.6061 1.5923 3.0890 3.1278 3.5679 3.7191 0.3106 0.0771 0.0911 -5.2776 -0.2290 0.1037 0.0160 0.0300 0.2818 0.2045 0.2045 -0.4940 -0.3759 -0.0980 -0.0811 0.0000 168.9197 T0285.try5-opt2.pdb.gz 125 0.5531 1.7514 1.7440 3.0639 2.9792 3.3738 3.5687 0.1827 0.6951 0.1422 -4.0290 -0.0448 0.2436 0.0320 0.0491 0.4301 0.4212 0.4212 -0.5559 -0.4222 -0.1954 -0.1438 0.0000 173.5441 T0285.try3-opt2.pdb.gz 125 0.5642 1.6962 1.6976 3.0705 3.1154 3.4903 3.7246 0.7824 0.3353 0.1913 -5.3557 -0.1246 0.2707 0.0240 0.1239 0.0767 0.0262 0.0262 -0.6178 -0.5028 -0.1664 -0.1170 0.0000 174.0011 T0285.try5-opt2.repack-nonPC.pdb.gz 125 0.5721 1.7514 1.7440 3.1096 3.0682 3.4353 3.5873 0.2465 0.6951 0.1422 -4.1935 -0.0448 0.1590 0.0320 0.0491 0.4301 0.4212 0.4212 -0.5261 -0.4222 -0.1954 -0.1438 0.0000 174.3546 T0285.try8-opt1.pdb.gz 125 0.5587 1.6072 1.6007 3.1003 3.1526 3.5640 3.7174 0.3331 0.0690 0.0882 -5.3337 -0.1992 0.1326 0.0240 0.0232 0.4649 0.3837 0.3837 -0.4510 -0.3438 -0.0844 -0.0709 0.0000 174.5834 T0285.try8-opt2.gromacs0.pdb.gz 125 0.5525 1.5947 1.5840 3.0733 3.1014 3.5269 3.6849 0.2290 0.1187 0.1978 -4.7291 -0.2213 0.0378 0.0160 0.0049 0.7616 0.6927 0.6927 -0.5085 -0.3722 -0.0943 -0.0781 0.0000 175.4155 T0285.try1-opt2.pdb.gz 125 0.5667 1.6149 1.6747 3.0257 3.0237 3.3501 3.6287 0.4896 0.3162 0.2072 -4.9348 -0.1194 0.2728 0.0400 0.1594 0.3053 0.2859 0.2859 -0.5932 -0.4543 -0.1615 -0.1097 0.0000 176.0140 T0285.try2-opt2.pdb.gz 125 0.5785 1.6759 1.6922 3.0727 3.1135 3.5575 3.7736 0.9204 0.2943 0.1528 -5.3373 -0.1438 0.2529 0.0880 0.0680 0.2887 0.2535 0.2535 -0.5920 -0.4378 -0.1573 -0.1103 0.0000 176.0316 T0285.try7-opt1.pdb.gz 125 0.5954 1.7743 1.7343 3.1043 3.0666 3.4531 3.5851 -0.0875 0.4128 0.1807 -4.6211 0.0270 0.2325 0.0240 0.1022 0.4289 0.4475 0.4475 -0.5084 -0.4040 -0.1855 -0.1395 0.0000 176.2337 T0285.try3-opt2.repack-nonPC.pdb.gz 125 0.5573 1.6962 1.6976 3.1633 3.2139 3.5075 3.7249 0.8185 0.3353 0.1913 -5.0013 -0.1246 0.1956 0.0240 0.1239 0.0767 0.0262 0.0262 -0.6397 -0.5028 -0.1664 -0.1170 0.0000 177.0712 T0285.try2-opt2.repack-nonPC.pdb.gz 125 0.5850 1.6759 1.6922 3.1053 3.1623 3.5797 3.7824 0.9468 0.2943 0.1528 -5.0049 -0.1438 0.1735 0.0880 0.0680 0.2887 0.2535 0.2535 -0.5460 -0.4378 -0.1573 -0.1103 0.0000 177.5851 T0285.try4-opt2.pdb.gz 125 0.5576 1.6730 1.6954 3.1080 3.2208 3.5943 3.7662 0.6202 0.3471 0.1785 -5.4383 -0.0930 0.1882 0.0080 0.1414 0.1218 0.1043 0.1043 -0.5409 -0.4444 -0.1643 -0.1101 0.0000 178.2349 T0285.try1-opt2.repack-nonPC.pdb.gz 125 0.5696 1.6149 1.6747 3.1027 3.0861 3.3810 3.6297 0.4883 0.3162 0.2072 -4.5051 -0.1194 0.2330 0.0400 0.1594 0.3053 0.2859 0.2859 -0.6081 -0.4543 -0.1615 -0.1097 0.0000 179.8048 T0285.try4-opt2.repack-nonPC.pdb.gz 125 0.5571 1.6730 1.6954 3.2235 3.2803 3.6338 3.7515 0.6545 0.3471 0.1785 -4.9229 -0.0930 0.1048 0.0080 0.1414 0.1218 0.1043 0.1043 -0.5386 -0.4444 -0.1643 -0.1101 0.0000 181.8924 T0285.try7-opt1-scwrl.pdb.gz 125 0.6050 1.7743 1.7343 3.1916 3.1220 3.5244 3.5936 -0.1767 0.4128 0.1807 -4.8274 0.0270 0.4953 0.0240 0.1022 0.4289 0.4475 0.4475 -0.5049 -0.4040 -0.1855 -0.1395 0.0000 186.4186 T0285.try5-opt1.pdb.gz 125 0.5726 1.7742 1.7654 3.1118 3.0227 3.4091 3.5758 0.1957 0.7251 0.1431 -3.6328 0.0510 0.3443 0.0240 0.0416 0.7111 0.7349 0.7349 -0.5033 -0.4028 -0.1912 -0.1403 0.0000 186.6437 T0285.try2-opt1.pdb.gz 125 0.5985 1.6736 1.6957 3.1475 3.1711 3.6097 3.8065 1.0829 0.3330 0.1530 -4.9516 -0.1562 0.2804 0.0960 0.0637 0.4838 0.4442 0.4442 -0.5601 -0.4298 -0.1486 -0.1008 0.0000 186.9837 T0285.try7-opt2.gromacs0.pdb.gz 125 0.5873 1.7918 1.7358 3.0963 3.0365 3.4394 3.5888 -0.1362 0.6393 0.2872 -2.7232 0.1401 0.0275 0.0160 0.0608 1.1367 1.1916 1.1916 -0.5724 -0.4236 -0.1954 -0.1415 0.0000 189.2659 T0285.try4-opt1.pdb.gz 125 0.5783 1.6725 1.7023 3.1654 3.2764 3.6319 3.7869 0.6746 0.3750 0.1637 -4.9550 -0.1080 0.2722 0.0080 0.1244 0.3753 0.3438 0.3438 -0.5425 -0.4364 -0.1577 -0.1037 0.0000 189.3483 T0285.try3-opt1.pdb.gz 125 0.5724 1.6761 1.7042 3.1261 3.1907 3.5676 3.7777 1.0716 0.3399 0.1849 -4.8486 -0.1379 0.4529 0.0320 0.1085 0.2684 0.2273 0.2273 -0.5749 -0.4803 -0.1580 -0.1045 0.0000 190.5363 T0285.try2-opt2.gromacs0.pdb.gz 125 0.5867 1.6917 1.7124 3.1033 3.1373 3.5702 3.7747 0.9227 0.3341 0.2338 -3.5827 -0.1712 0.0900 0.0560 0.0501 0.9090 0.9535 0.9535 -0.5761 -0.4268 -0.1524 -0.1089 0.0000 190.9311 T0285.try8-opt1-scwrl.pdb.gz 125 0.5640 1.6072 1.6007 3.2490 3.1507 3.6001 3.7371 0.3889 0.0690 0.0882 -5.5978 -0.1992 0.6215 0.0240 0.0232 0.4649 0.3837 0.3837 -0.4455 -0.3438 -0.0844 -0.0709 0.0000 191.0923 T0285.try1-opt1.pdb.gz 125 0.5700 1.6124 1.6931 3.0871 3.0601 3.4040 3.6505 0.5524 0.4595 0.1905 -4.4953 -0.1226 0.4289 0.0640 0.1555 0.5796 0.5523 0.5523 -0.5411 -0.4450 -0.1518 -0.0986 0.0000 191.9375 T0285.try2-opt1-scwrl.pdb.gz 125 0.6034 1.6736 1.6957 3.2171 3.1972 3.6172 3.8098 1.0609 0.3330 0.1530 -4.9363 -0.1562 0.4322 0.0960 0.0637 0.4838 0.4442 0.4442 -0.5556 -0.4298 -0.1486 -0.1008 0.0000 193.3151 T0285.try5-opt1-scwrl.pdb.gz 125 0.5781 1.7742 1.7654 3.2281 3.1739 3.4648 3.5861 0.2171 0.7251 0.1431 -4.1350 0.0510 0.4737 0.0240 0.0416 0.7111 0.7349 0.7349 -0.5144 -0.4028 -0.1912 -0.1403 0.0000 193.7809 T0285.try5-opt2.gromacs0.pdb.gz 125 0.5610 1.7579 1.7450 3.1075 3.0047 3.3926 3.5772 0.1825 0.4637 0.2753 -1.8659 0.1419 0.0573 0.0000 0.0649 1.2627 1.3406 1.3406 -0.5601 -0.3995 -0.1860 -0.1389 0.0000 194.9220 T0285.try1-opt2.gromacs0.pdb.gz 125 0.5772 1.6052 1.6678 3.0833 3.0449 3.3719 3.6293 0.4889 1.0801 0.2815 -2.9819 -0.0590 0.0700 0.0560 0.1108 0.8179 0.8030 0.8030 -0.5964 -0.4356 -0.1530 -0.1068 0.0000 195.6653 T0285.try1-opt1-scwrl.pdb.gz 125 0.5803 1.6124 1.6931 3.1856 3.1171 3.3876 3.6483 0.4543 0.4595 0.1905 -4.6958 -0.1226 0.5667 0.0640 0.1555 0.5796 0.5523 0.5523 -0.5812 -0.4450 -0.1518 -0.0986 0.0000 196.9930 T0285.try3-opt1-scwrl.pdb.gz 125 0.5951 1.6761 1.7042 3.1891 3.2655 3.6100 3.7972 1.0536 0.3399 0.1849 -5.1897 -0.1379 0.6476 0.0320 0.1085 0.2684 0.2273 0.2273 -0.5723 -0.4803 -0.1580 -0.1045 0.0000 198.1296 T0285.try4-opt1-scwrl.pdb.gz 125 0.5765 1.6725 1.7023 3.2708 3.3084 3.6245 3.7876 0.6288 0.3750 0.1637 -5.0395 -0.1080 0.5314 0.0080 0.1244 0.3753 0.3438 0.3438 -0.5437 -0.4364 -0.1577 -0.1037 0.0000 198.6020 T0285.try3-opt2.gromacs0.pdb.gz 125 0.5802 1.6993 1.7313 3.1168 3.1242 3.5095 3.7315 0.7906 1.0953 0.2889 -2.7143 0.0235 0.0657 0.0400 0.1110 0.8127 0.8283 0.8283 -0.6177 -0.4717 -0.1555 -0.1096 0.0000 203.8536 T0285.try4-opt2.gromacs0.pdb.gz 125 0.5596 1.6613 1.6914 3.1711 3.2437 3.6083 3.7673 0.6207 1.0252 0.2789 -3.0570 -0.0244 0.0503 0.0000 0.1052 0.8397 0.8883 0.8883 -0.5279 -0.4196 -0.1568 -0.1085 0.0000 205.1487