# 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 + 8 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 4 * pred_alpha2k + 5 * pred_alpha04 + 6 * pred_alpha06 + 10 * constraints + 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 constraints 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 10N T0286.try15-opt2.pdb.gz 205 0.5617 1.7079 1.7315 3.0152 3.0336 3.3625 3.5298 -0.3339 -6.2847 0.3717 0.1407 -0.1636 0.1897 0.0439 0.0725 -0.1518 -0.1616 -0.1778 -0.1122 -0.6210 -0.4604 -0.0865 -0.0701 0.0000 135.9709 T0286.try14-opt2.pdb.gz 205 0.5654 1.7028 1.7500 3.0308 3.0044 3.3235 3.5241 -0.3675 -6.2039 0.3788 0.1443 -0.1605 0.3650 0.1902 0.0764 -0.1354 -0.1251 -0.1376 -0.4320 -0.6287 -0.4530 -0.0885 -0.0719 0.0000 136.8392 T0286.try15-opt1.pdb.gz 205 0.5646 1.7066 1.7314 3.0301 3.0384 3.3699 3.5309 -0.3378 -6.2626 0.3833 0.1405 -0.1636 0.1932 0.0439 0.0743 -0.1519 -0.1618 -0.1780 -0.1060 -0.6136 -0.4559 -0.0841 -0.0682 0.0000 137.2840 T0286.try13-opt2.pdb.gz 205 0.5643 1.7071 1.7320 3.0231 3.0389 3.3714 3.5298 -0.3335 -6.2185 0.3887 0.1378 -0.1576 0.1982 0.0439 0.0681 -0.1265 -0.1310 -0.1435 -0.1115 -0.6132 -0.4557 -0.0841 -0.0686 0.0000 137.7522 T0286.try12-opt2.pdb.gz 205 0.5623 1.6905 1.7379 3.0367 3.0198 3.3738 3.5360 -0.3294 -6.1594 0.4138 0.1474 -0.1607 0.2107 0.0390 0.0825 -0.1256 -0.1301 -0.1426 -0.0496 -0.6061 -0.4528 -0.0819 -0.0676 0.0000 140.1196 T0286.try13-opt1.pdb.gz 205 0.5626 1.7027 1.7428 3.0412 3.0169 3.3689 3.5359 -0.3309 -6.1288 0.4192 0.1474 -0.1613 0.2108 0.0439 0.0777 -0.0966 -0.0987 -0.1111 -0.0699 -0.6059 -0.4505 -0.0827 -0.0683 0.0000 140.3513 T0286.try6-opt2.pdb.gz 205 0.5469 1.7326 1.7874 3.0490 3.0500 3.4164 3.5672 0.0674 -6.0294 0.2938 0.1126 -0.2097 0.2374 0.0195 0.0777 -0.0328 -0.0407 -0.0381 -0.3537 -0.6062 -0.4512 -0.0943 -0.0634 0.0000 141.0370 T0286.try12-opt1.pdb.gz 205 0.5645 1.6929 1.7385 3.0588 3.0387 3.3776 3.5360 -0.3279 -6.1303 0.4148 0.1554 -0.1607 0.2196 0.0390 0.0891 -0.1267 -0.1313 -0.1437 -0.0380 -0.6033 -0.4526 -0.0816 -0.0675 0.0000 141.9026 T0286.try14-opt1.pdb.gz 205 0.5658 1.7017 1.7504 3.1011 3.0291 3.3614 3.5302 -0.3757 -6.0215 0.3943 0.1458 -0.1678 0.3876 0.1902 0.0844 -0.0860 -0.0905 -0.1026 -0.4113 -0.6140 -0.4494 -0.0874 -0.0725 0.0000 142.2267 T0286.try10-opt2.pdb.gz 205 0.5410 1.6542 1.6956 3.0786 3.0928 3.4180 3.5693 -0.1732 -6.1619 0.3203 0.1423 -0.1663 0.2441 0.0537 0.1036 -0.1074 -0.1185 -0.1200 -0.3123 -0.5175 -0.4104 -0.0878 -0.0644 0.0000 142.3477 T0286.try9-opt2.pdb.gz 205 0.5645 1.6959 1.7313 3.0605 3.0318 3.3632 3.5371 -0.3281 -6.1325 0.4697 0.1610 -0.1660 0.2265 0.0244 0.0984 -0.1208 -0.1262 -0.1397 -0.0086 -0.6107 -0.4536 -0.0839 -0.0664 0.0000 142.7203 T0286.try15-opt2.repack-nonPC.pdb.gz 205 0.5651 1.7079 1.7315 3.1083 3.1089 3.4017 3.5462 -0.3372 -5.6179 0.3717 0.1407 -0.1636 0.1056 0.0439 0.0725 -0.1518 -0.1616 -0.1778 -0.0898 -0.6206 -0.4604 -0.0865 -0.0701 0.0000 143.4614 T0286.try14-opt2.repack-nonPC.pdb.gz 205 0.5702 1.7028 1.7500 3.1193 3.0773 3.3739 3.5273 -0.3993 -5.5574 0.3788 0.1443 -0.1605 0.2608 0.1902 0.0764 -0.1354 -0.1251 -0.1376 -0.3971 -0.5901 -0.4530 -0.0885 -0.0719 0.0000 144.0374 T0286.try16-opt2.pdb.gz 205 0.5439 1.6935 1.7188 3.0740 3.0654 3.3845 3.5387 0.2686 -5.6375 0.3223 0.1121 -0.1164 0.2221 0.0537 0.0647 -0.0056 -0.0337 -0.0446 -0.4255 -0.5608 -0.4253 -0.0861 -0.0616 0.0000 144.2351 T0286.try11-opt2.pdb.gz 205 0.5552 1.6981 1.7544 3.0155 3.0017 3.3073 3.4797 -0.1794 -5.5538 0.2820 0.1223 -0.2236 0.2430 0.0195 0.1044 0.0053 0.0666 0.0718 -0.2644 -0.5638 -0.4326 -0.0906 -0.0615 0.0000 145.0202 T0286.try13-opt2.repack-nonPC.pdb.gz 205 0.5619 1.7071 1.7320 3.1029 3.1235 3.4093 3.5438 -0.3207 -5.5422 0.3887 0.1378 -0.1576 0.1052 0.0439 0.0681 -0.1265 -0.1310 -0.1435 -0.0890 -0.6116 -0.4557 -0.0841 -0.0686 0.0000 145.0507 T0286.try6-opt2.repack-nonPC.pdb.gz 205 0.5529 1.7326 1.7874 3.1432 3.0658 3.4151 3.5563 0.0804 -5.5028 0.2938 0.1126 -0.2097 0.1399 0.0195 0.0777 -0.0328 -0.0407 -0.0381 -0.3607 -0.5918 -0.4512 -0.0943 -0.0634 0.0000 145.0729 T0286.try10-opt2.repack-nonPC.pdb.gz 205 0.5540 1.6542 1.6956 3.1446 3.1322 3.4324 3.5777 -0.1880 -5.7566 0.3203 0.1423 -0.1663 0.1277 0.0537 0.1036 -0.1074 -0.1185 -0.1200 -0.3054 -0.5304 -0.4104 -0.0878 -0.0644 0.0000 145.4682 T0286.try9-opt1.pdb.gz 205 0.5684 1.7036 1.7349 3.0739 3.0450 3.3701 3.5400 -0.3410 -5.9686 0.4717 0.1578 -0.1561 0.2703 0.0390 0.0975 -0.1027 -0.1182 -0.1345 -0.0093 -0.6018 -0.4475 -0.0812 -0.0643 0.0000 146.1885 T0286.try12-opt2.repack-nonPC.pdb.gz 205 0.5687 1.6905 1.7379 3.1076 3.0954 3.3943 3.5397 -0.3795 -5.5054 0.4138 0.1474 -0.1607 0.1264 0.0390 0.0825 -0.1256 -0.1301 -0.1426 -0.0243 -0.6051 -0.4528 -0.0819 -0.0676 0.0000 146.8181 T0286.try16-opt2.repack-nonPC.pdb.gz 205 0.5450 1.6935 1.7188 3.1709 3.1059 3.3951 3.5486 0.2377 -5.3270 0.3223 0.1121 -0.1164 0.1407 0.0537 0.0647 -0.0056 -0.0337 -0.0446 -0.4264 -0.5613 -0.4253 -0.0861 -0.0616 0.0000 147.5071 T0286.try9-opt2.repack-nonPC.pdb.gz 205 0.5626 1.6959 1.7313 3.1158 3.0834 3.4064 3.5510 -0.3389 -5.6526 0.4697 0.1610 -0.1660 0.1523 0.0244 0.0984 -0.1208 -0.1262 -0.1397 0.0072 -0.5804 -0.4536 -0.0839 -0.0664 0.0000 147.9129 T0286.try11-opt2.repack-nonPC.pdb.gz 205 0.5557 1.6981 1.7544 3.1038 3.0482 3.3295 3.4852 -0.2637 -5.2064 0.2820 0.1223 -0.2236 0.1417 0.0195 0.1044 0.0053 0.0666 0.0718 -0.2567 -0.5701 -0.4326 -0.0906 -0.0615 0.0000 148.2743 T0286.try15-opt1-scwrl.pdb.gz 205 0.5635 1.7066 1.7314 3.1404 3.1341 3.4341 3.5482 -0.3878 -6.2471 0.3833 0.1405 -0.1636 0.5007 0.0439 0.0743 -0.1519 -0.1618 -0.1780 -0.0688 -0.5896 -0.4559 -0.0841 -0.0682 0.0000 148.5538 T0286.try8-opt2.pdb.gz 205 0.5667 1.7061 1.7371 3.0602 3.0558 3.3825 3.5380 -0.3367 -5.9186 0.4702 0.1537 -0.1701 0.3805 0.1610 0.0925 -0.1070 -0.1202 -0.1362 0.0109 -0.5926 -0.4391 -0.0738 -0.0570 0.0000 150.2507 T0286.try14-opt1-scwrl.pdb.gz 205 0.5661 1.7017 1.7504 3.1772 3.1057 3.4502 3.5436 -0.3978 -6.1933 0.3943 0.1458 -0.1678 0.6632 0.1902 0.0844 -0.0860 -0.0905 -0.1026 -0.3691 -0.5753 -0.4494 -0.0874 -0.0725 0.0000 151.0170 T0286.try10-opt1.pdb.gz 205 0.5459 1.6559 1.6983 3.1032 3.1387 3.4403 3.5822 -0.1521 -5.8011 0.3245 0.1313 -0.1562 0.3029 0.0634 0.0977 0.0730 0.0494 0.0594 -0.2818 -0.4927 -0.4027 -0.0842 -0.0614 0.0000 151.5460 T0286.try1-opt2.pdb.gz 205 0.5772 1.7250 1.7960 3.0550 3.1226 3.4995 3.6553 0.3613 -5.4953 0.3347 0.0828 -0.1420 0.2425 0.0244 0.0330 0.1624 0.1865 0.1704 -0.3533 -0.5539 -0.4120 -0.0869 -0.0601 0.0000 152.2354 T0286.try10-opt1-scwrl.pdb.gz 205 0.5539 1.6559 1.6983 3.1237 3.1664 3.4628 3.5875 -0.1256 -5.8432 0.3245 0.1313 -0.1562 0.2908 0.0634 0.0977 0.0730 0.0494 0.0594 -0.2826 -0.4953 -0.4027 -0.0842 -0.0614 0.0000 152.3422 T0286.try6-opt1.pdb.gz 205 0.5490 1.7257 1.7942 3.1045 3.1130 3.4741 3.6090 0.1437 -5.7075 0.2612 0.1119 -0.1933 0.3276 0.0244 0.0806 0.1143 0.1383 0.1520 -0.3595 -0.5723 -0.4343 -0.0847 -0.0589 0.0000 152.6677 T0286.try2-opt2.pdb.gz 205 0.5641 1.7822 1.8091 3.0456 3.0674 3.4441 3.6056 0.2109 -5.4056 0.3026 0.1184 -0.1153 0.2377 0.0244 0.0665 0.1602 0.1504 0.1606 -0.2140 -0.6025 -0.4228 -0.0915 -0.0595 0.0000 153.0205 T0286.try6-opt1-scwrl.pdb.gz 205 0.5542 1.7257 1.7942 3.1267 3.1317 3.4613 3.6040 0.1148 -5.8398 0.2612 0.1119 -0.1933 0.3823 0.0244 0.0806 0.1143 0.1383 0.1520 -0.3610 -0.5756 -0.4343 -0.0847 -0.0589 0.0000 153.1798 T0286.try13-opt1-scwrl.pdb.gz 205 0.5681 1.7027 1.7428 3.1658 3.1208 3.4415 3.5491 -0.3878 -6.1638 0.4192 0.1474 -0.1613 0.6234 0.0439 0.0777 -0.0966 -0.0987 -0.1111 -0.0332 -0.5808 -0.4505 -0.0827 -0.0683 0.0000 153.8853 T0286.try8-opt1.pdb.gz 205 0.5651 1.7062 1.7496 3.0634 3.0562 3.3860 3.5451 -0.3333 -5.7198 0.4522 0.1457 -0.1385 0.4118 0.1220 0.0909 -0.0539 -0.0794 -0.0925 0.0598 -0.5706 -0.4309 -0.0722 -0.0557 0.0000 154.0591 T0286.try8-opt2.repack-nonPC.pdb.gz 205 0.5682 1.7061 1.7371 3.1044 3.1005 3.4033 3.5449 -0.3619 -5.4258 0.4702 0.1537 -0.1701 0.2800 0.1610 0.0925 -0.1070 -0.1202 -0.1362 0.0254 -0.5831 -0.4391 -0.0738 -0.0570 0.0000 154.2522 T0286.try1-opt2.repack-nonPC.pdb.gz 205 0.5746 1.7250 1.7960 3.1370 3.1574 3.5233 3.6532 0.3866 -5.2444 0.3347 0.0828 -0.1420 0.1462 0.0244 0.0330 0.1624 0.1865 0.1704 -0.3480 -0.5519 -0.4120 -0.0869 -0.0601 0.0000 154.6620 T0286.try2-opt2.repack-nonPC.pdb.gz 205 0.5671 1.7822 1.8091 3.1195 3.1097 3.4654 3.6290 0.2393 -5.2383 0.3026 0.1184 -0.1153 0.1349 0.0244 0.0665 0.1602 0.1504 0.1606 -0.2201 -0.6004 -0.4228 -0.0915 -0.0595 0.0000 154.7443 T0286.try12-opt1-scwrl.pdb.gz 205 0.5653 1.6929 1.7385 3.1884 3.1294 3.4417 3.5553 -0.3808 -6.1720 0.4148 0.1554 -0.1607 0.6219 0.0390 0.0891 -0.1267 -0.1313 -0.1437 -0.0066 -0.5844 -0.4526 -0.0816 -0.0675 0.0000 154.7460 T0286.try11-opt1.pdb.gz 205 0.5554 1.7113 1.7384 3.0865 3.0710 3.3362 3.4899 -0.1686 -5.3525 0.2759 0.1075 -0.2101 0.3784 0.0390 0.0991 0.1675 0.2036 0.2032 -0.2356 -0.5253 -0.4030 -0.0885 -0.0585 0.0000 155.2565 T0286.try11-opt1-scwrl.pdb.gz 205 0.5617 1.7113 1.7384 3.1385 3.0739 3.3440 3.5004 -0.2002 -5.6151 0.2759 0.1075 -0.2101 0.4665 0.0390 0.0991 0.1675 0.2036 0.2032 -0.2483 -0.5247 -0.4030 -0.0885 -0.0585 0.0000 155.8339 T0286.try3-opt2.pdb.gz 205 0.5813 1.7811 1.8198 3.0603 3.0977 3.4261 3.5777 0.3518 -5.2928 0.3650 0.1267 -0.1292 0.2876 0.0244 0.0820 0.1836 0.2310 0.2112 -0.3793 -0.5251 -0.4124 -0.0879 -0.0671 0.0000 156.0741 T0286.try16-opt1.pdb.gz 205 0.5496 1.7282 1.7246 3.1369 3.0915 3.4127 3.5553 0.3060 -5.4113 0.3021 0.0949 -0.1304 0.4052 0.0585 0.0509 0.2447 0.2305 0.2434 -0.4106 -0.5454 -0.4175 -0.0790 -0.0574 0.0000 156.1416 T0286.try7-opt2.pdb.gz 205 0.5726 1.7002 1.7446 3.0759 3.0752 3.4082 3.5552 -0.3261 -5.6977 0.4744 0.1504 -0.1385 0.4272 0.1268 0.0979 -0.0536 -0.0795 -0.0928 0.0491 -0.5667 -0.4256 -0.0709 -0.0544 0.0000 156.2470 T0286.try9-opt1-scwrl.pdb.gz 205 0.5749 1.7036 1.7349 3.1527 3.1056 3.4359 3.5592 -0.3624 -6.0756 0.4717 0.1578 -0.1561 0.6374 0.0390 0.0975 -0.1027 -0.1182 -0.1345 0.0203 -0.5895 -0.4475 -0.0812 -0.0643 0.0000 156.5654 T0286.try7-opt2.repack-nonPC.pdb.gz 205 0.5734 1.7002 1.7446 3.1178 3.1216 3.4232 3.5587 -0.3542 -5.2796 0.4744 0.1504 -0.1385 0.2877 0.1268 0.0979 -0.0536 -0.0795 -0.0928 0.0838 -0.5767 -0.4256 -0.0709 -0.0544 0.0000 158.8511 T0286.try3-opt2.repack-nonPC.pdb.gz 205 0.5815 1.7811 1.8198 3.1272 3.1588 3.4733 3.5931 0.3045 -5.0463 0.3650 0.1267 -0.1292 0.2229 0.0244 0.0820 0.1836 0.2310 0.2112 -0.3717 -0.5615 -0.4124 -0.0879 -0.0671 0.0000 159.5641 T0286.try16-opt1-scwrl.pdb.gz 205 0.5515 1.7282 1.7246 3.2102 3.1296 3.4304 3.5670 0.2819 -5.6180 0.3021 0.0949 -0.1304 0.6170 0.0585 0.0509 0.2447 0.2305 0.2434 -0.4108 -0.5575 -0.4175 -0.0790 -0.0574 0.0000 160.8258 T0286.try15-opt2.gromacs0.pdb.gz 205 0.5679 1.7026 1.7531 3.0630 3.0654 3.3806 3.5323 -0.3336 -4.3581 0.3919 0.2338 -0.0810 0.0618 0.0244 0.0316 0.4971 0.4923 0.5052 -0.0824 -0.6063 -0.4364 -0.0815 -0.0672 0.0000 161.1076 T0286.try8-opt1-scwrl.pdb.gz 205 0.5683 1.7062 1.7496 3.1421 3.1204 3.4296 3.5631 -0.3859 -5.9694 0.4522 0.1457 -0.1385 0.7252 0.1220 0.0909 -0.0539 -0.0794 -0.0925 0.0912 -0.5794 -0.4309 -0.0722 -0.0557 0.0000 161.7496 T0286.try13-opt2.gromacs0.pdb.gz 205 0.5650 1.6908 1.7530 3.0715 3.0585 3.3891 3.5326 -0.3317 -4.3074 0.3811 0.2332 -0.0827 0.0651 0.0293 0.0303 0.4976 0.4927 0.5026 -0.0731 -0.6058 -0.4309 -0.0795 -0.0657 0.0000 161.8698 T0286.try1-opt1.pdb.gz 205 0.5792 1.7304 1.7845 3.1067 3.1731 3.5450 3.6829 0.4188 -5.2519 0.3607 0.0706 -0.0791 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