# 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) + 1 * phobic_fit + 10 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 80 * 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 sidechain n_ca_c bad_peptide 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 T0295.try7-opt2.pdb.gz 275 0.5087 1.6017 1.6243 3.0012 2.9252 3.1303 3.3909 2.5667 -5.6824 0.4283 0.1647 -0.1874 0.0455 0.0109 0.0523 0.0951 0.0900 0.0465 -0.6447 -0.5040 -0.1405 -0.1120 0.0000 128.3065 T0295.try7-opt1.pdb.gz 275 0.5090 1.6030 1.6277 3.0053 2.9246 3.1293 3.3907 2.5498 -5.6444 0.4279 0.1665 -0.1951 0.0465 0.0145 0.0533 0.1121 0.1020 0.0584 -0.6443 -0.5024 -0.1404 -0.1118 0.0000 129.1825 T0295.try6-opt2.pdb.gz 275 0.5088 1.6036 1.6290 3.0051 2.9253 3.1307 3.3907 2.5504 -5.6353 0.4289 0.1683 -0.1956 0.0470 0.0182 0.0553 0.1100 0.0997 0.0565 -0.6432 -0.5013 -0.1404 -0.1119 0.0000 129.7664 T0295.try6-opt1.pdb.gz 275 0.5112 1.6035 1.6309 3.0151 2.9336 3.1392 3.3927 2.5560 -5.4872 0.4262 0.1687 -0.2241 0.0512 0.0109 0.0524 0.1411 0.1413 0.0886 -0.6460 -0.5020 -0.1398 -0.1116 0.0000 131.7918 T0295.try5-opt2.pdb.gz 275 0.5131 1.6070 1.6282 3.0161 2.9361 3.1442 3.3940 2.5657 -5.4560 0.4252 0.1693 -0.2251 0.0530 0.0109 0.0521 0.1652 0.1605 0.1111 -0.6434 -0.5007 -0.1391 -0.1117 0.0000 132.7027 T0295.try7-opt2.repack-nonPC.pdb.gz 275 0.5066 1.6017 1.6243 3.0627 2.9610 3.1459 3.3862 2.5707 -5.3731 0.4283 0.1647 -0.1874 0.0455 0.0109 0.0523 0.0951 0.0900 0.0465 -0.6585 -0.5040 -0.1405 -0.1120 0.0000 133.1469 T0295.try6-opt2.repack-nonPC.pdb.gz 275 0.5052 1.6036 1.6290 3.0643 2.9619 3.1441 3.3858 2.5499 -5.3644 0.4289 0.1683 -0.1956 0.0489 0.0182 0.0553 0.1100 0.0997 0.0565 -0.6655 -0.5013 -0.1404 -0.1119 0.0000 134.2597 T0295.try2-opt2.pdb.gz 275 0.5216 1.6330 1.6538 2.9990 2.9589 3.1945 3.4612 1.5656 -5.4975 0.4761 0.1618 -0.1869 0.0931 0.0145 0.0458 0.1281 0.0810 0.0529 -0.6504 -0.5057 -0.1399 -0.1124 0.0000 134.3611 T0295.try5-opt1.pdb.gz 275 0.5107 1.6070 1.6282 3.0267 2.9422 3.1440 3.3936 2.5662 -5.3928 0.4252 0.1693 -0.2251 0.0671 0.0109 0.0521 0.1652 0.1605 0.1111 -0.6276 -0.5007 -0.1391 -0.1117 0.0000 134.7751 T0295.try2-opt2.repack-nonPC.pdb.gz 275 0.5145 1.6330 1.6538 3.0659 3.0092 3.2297 3.4704 1.6133 -5.2501 0.4761 0.1618 -0.1869 0.0559 0.0145 0.0458 0.1281 0.0810 0.0529 -0.6500 -0.5057 -0.1399 -0.1124 0.0000 136.3897 T0295.try4-opt2.pdb.gz 275 0.5140 1.6070 1.6295 3.0202 2.9393 3.1474 3.3958 2.5648 -5.3154 0.4271 0.1688 -0.2251 0.0830 0.0109 0.0521 0.1652 0.1605 0.1111 -0.6284 -0.5007 -0.1391 -0.1117 0.0000 136.7834 T0295.try5-opt2.repack-nonPC.pdb.gz 275 0.5099 1.6070 1.6282 3.0722 2.9790 3.1565 3.3948 2.5726 -5.1287 0.4252 0.1693 -0.2251 0.0501 0.0109 0.0521 0.1652 0.1605 0.1111 -0.6633 -0.5007 -0.1391 -0.1117 0.0000 137.4880 T0295.try4-opt2.repack-nonPC.pdb.gz 275 0.5081 1.6070 1.6295 3.0782 2.9832 3.1599 3.3931 2.5742 -4.9873 0.4271 0.1688 -0.2251 0.0596 0.0109 0.0521 0.1652 0.1605 0.1111 -0.6528 -0.5007 -0.1391 -0.1117 0.0000 139.9159 T0295.try2-opt1.pdb.gz 275 0.5225 1.6347 1.6469 3.0250 2.9676 3.2031 3.4632 1.6643 -5.1802 0.4784 0.1689 -0.2155 0.1222 0.0145 0.0470 0.1965 0.1584 0.1234 -0.6103 -0.4914 -0.1377 -0.1112 0.0000 142.2720 T0295.try4-opt1.pdb.gz 275 0.5046 1.6130 1.6167 3.0304 2.9747 3.1654 3.4060 2.8362 -5.2975 0.3701 0.1806 -0.2289 0.1305 0.0145 0.0677 0.1981 0.1876 0.1471 -0.5981 -0.4779 -0.1385 -0.1115 0.0000 145.8008 T0295.try7-opt2.gromacs0.pdb.gz 275 0.5073 1.6089 1.6317 3.0178 2.9557 3.1397 3.3912 2.5652 -4.0581 0.2420 0.2392 -0.1891 0.0126 0.0218 0.0482 0.6277 0.6065 0.5515 -0.6428 -0.4958 -0.1403 -0.1114 0.0000 148.3259 T0295.try5-opt2.gromacs0.pdb.gz 275 0.5108 1.6178 1.6240 3.0235 2.9652 3.1483 3.3941 2.5635 -4.0424 0.2552 0.2429 -0.1935 0.0147 0.0145 0.0475 0.6269 0.6068 0.5516 -0.6372 -0.4900 -0.1373 -0.1105 0.0000 149.3721 T0295.try6-opt2.gromacs0.pdb.gz 275 0.5071 1.6154 1.6338 3.0223 2.9462 3.1394 3.3895 2.5483 -3.9994 0.2552 0.2430 -0.1894 0.0132 0.0145 0.0518 0.6249 0.6039 0.5486 -0.6460 -0.4953 -0.1401 -0.1113 0.0000 149.6271 T0295.try2-opt2.gromacs0.pdb.gz 275 0.5232 1.6537 1.6610 3.0204 2.9812 3.1978 3.4622 1.5647 -4.1917 0.2570 0.2387 -0.1975 0.0300 0.0109 0.0498 0.5833 0.5660 0.5123 -0.6515 -0.4940 -0.1388 -0.1116 0.0000 149.6293 T0295.try1-opt2.repack-nonPC.pdb.gz 275 0.5090 1.6234 1.6202 3.1059 3.0393 3.1837 3.4166 2.8605 -4.8650 0.3706 0.1831 -0.2215 0.0781 0.0109 0.0712 0.2045 0.1987 0.1582 -0.6015 -0.4707 -0.1326 -0.1080 0.0000 150.4214 T0295.try4-opt2.gromacs0.pdb.gz 275 0.5156 1.6165 1.6299 3.0416 2.9678 3.1548 3.3965 2.5621 -4.0457 0.2478 0.2400 -0.1886 0.0262 0.0109 0.0474 0.6189 0.5971 0.5410 -0.6365 -0.4939 -0.1383 -0.1111 0.0000 150.4617 T0295.try1-opt2.pdb.gz 275 0.5108 1.6234 1.6202 3.0620 2.9868 3.1662 3.4160 2.8511 -5.1064 0.3706 0.1831 -0.2215 0.1506 0.0109 0.0712 0.2045 0.1987 0.1582 -0.5931 -0.4707 -0.1326 -0.1080 0.0000 151.8894 T0295.try7-opt1-scwrl.pdb.gz 275 0.5222 1.6030 1.6277 3.1214 3.0336 3.1736 3.3991 2.5304 -5.7565 0.4279 0.1665 -0.1951 0.2867 0.0145 0.0533 0.1121 0.1020 0.0584 -0.6217 -0.5024 -0.1404 -0.1118 0.0000 152.1942 T0295.try6-opt1-scwrl.pdb.gz 275 0.5200 1.6035 1.6309 3.1177 3.0355 3.1759 3.3992 2.5396 -5.6133 0.4262 0.1687 -0.2241 0.2816 0.0109 0.0524 0.1411 0.1413 0.0886 -0.6206 -0.5020 -0.1398 -0.1116 0.0000 153.3643 T0295.try5-opt1-scwrl.pdb.gz 275 0.5143 1.6070 1.6282 3.1290 3.0455 3.1815 3.3983 2.5582 -5.5822 0.4252 0.1693 -0.2251 0.2754 0.0109 0.0521 0.1652 0.1605 0.1111 -0.6199 -0.5007 -0.1391 -0.1117 0.0000 153.8197 T0295.try2-opt1-scwrl.pdb.gz 275 0.5256 1.6347 1.6469 3.0951 3.0560 3.2255 3.4755 1.6819 -5.4933 0.4784 0.1689 -0.2155 0.2715 0.0145 0.0470 0.1965 0.1584 0.1234 -0.6114 -0.4914 -0.1377 -0.1112 0.0000 154.3551 T0295.try1-opt2.gromacs0.pdb.gz 275 0.5135 1.6448 1.6263 3.0815 3.0087 3.1717 3.4150 2.8496 -3.9215 0.2392 0.2450 -0.1877 0.0416 0.0073 0.0512 0.5989 0.5944 0.5553 -0.5943 -0.4640 -0.1303 -0.1067 0.0000 157.1959 T0295.try4-opt1-scwrl.pdb.gz 275 0.5140 1.6130 1.6167 3.1167 3.0545 3.1924 3.4114 2.8338 -5.5362 0.3701 0.1806 -0.2289 0.2745 0.0145 0.0677 0.1981 0.1876 0.1471 -0.5870 -0.4779 -0.1385 -0.1115 0.0000 158.4503 T0295.try1-opt1.pdb.gz 275 0.5152 1.6175 1.6105 3.1072 3.0476 3.1957 3.4193 2.9967 -4.8559 0.2687 0.1991 -0.2123 0.2304 0.0255 0.0749 0.3611 0.3424 0.3025 -0.5674 -0.4533 -0.1227 -0.1011 0.0000 166.9808 T0295.try1-opt1-scwrl.pdb.gz 275 0.5185 1.6175 1.6105 3.1277 3.0885 3.2141 3.4332 2.9754 -5.0199 0.2687 0.1991 -0.2123 0.3080 0.0255 0.0749 0.3611 0.3424 0.3025 -0.5607 -0.4533 -0.1227 -0.1011 0.0000 173.0802