# 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 + 100 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 50 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * 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 T0320.try4-opt2.pdb.gz 306 0.5381 1.6568 1.6992 3.0217 3.0562 3.5200 3.6988 0.9393 -4.5848 0.3372 0.1347 -0.0576 0.2678 0.1144 0.0657 0.4308 0.4212 0.3659 0.0000 -0.5332 -0.4130 -0.0850 -0.0629 0.0000 0.0000 0.0000 181.5476 T0320.try4-opt2.repack-nonPC.pdb.gz 306 0.5473 1.6568 1.6992 3.0755 3.0923 3.5499 3.6989 0.9568 -4.6410 0.3372 0.1347 -0.0576 0.2171 0.1144 0.0657 0.4308 0.4212 0.3659 0.0000 -0.5154 -0.4130 -0.0850 -0.0629 0.0000 0.0000 0.0000 182.4932 T0320.try7-opt2.pdb.gz 306 0.5314 1.6933 1.7106 3.1102 3.0838 3.5185 3.6431 1.5847 -5.0102 0.3505 0.1403 -0.0556 0.2982 0.0817 0.0741 0.3365 0.2811 0.2454 0.0000 -0.4896 -0.3652 -0.0724 -0.0637 0.0000 0.0000 0.0000 184.4854 T0320.try7-opt2.repack-nonPC.pdb.gz 306 0.5396 1.6933 1.7106 3.1721 3.1272 3.5525 3.6641 1.6334 -5.0046 0.3505 0.1403 -0.0556 0.2336 0.0817 0.0741 0.3365 0.2811 0.2454 0.0000 -0.4686 -0.3652 -0.0724 -0.0637 0.0000 0.0000 0.0000 185.9597 T0320.try4-opt1.pdb.gz 306 0.5369 1.6728 1.7061 3.0677 3.0917 3.5698 3.7332 1.1450 -4.4836 0.4034 0.1285 -0.0580 0.3388 0.1601 0.0647 0.4779 0.5043 0.4221 0.0000 -0.5244 -0.4113 -0.0827 -0.0613 0.0000 0.0000 0.0000 187.2720 T0320.try6-opt2.pdb.gz 306 0.5296 1.6716 1.6998 3.1002 3.0390 3.4836 3.6663 2.8935 -4.6273 0.3533 0.1488 -0.0875 0.2725 0.1242 0.0966 0.4000 0.3650 0.2879 0.0000 -0.5243 -0.3874 -0.0893 -0.0698 0.0000 0.0000 0.0000 187.6668 T0320.try6-opt2.repack-nonPC.pdb.gz 306 0.5385 1.6716 1.6998 3.1646 3.0874 3.5137 3.6754 2.9081 -4.4640 0.3533 0.1488 -0.0875 0.2438 0.1242 0.0966 0.4000 0.3650 0.2879 0.0000 -0.5044 -0.3874 -0.0893 -0.0698 0.0000 0.0000 0.0000 190.6018 T0320.try4-opt2.gromacs0.pdb.gz 306 0.5382 1.6745 1.6966 3.0366 3.0701 3.5266 3.6990 0.9392 -3.2232 0.5208 0.2444 0.0107 0.0782 0.0948 0.0728 0.9819 0.9419 0.8589 0.0000 -0.5406 -0.4031 -0.0807 -0.0627 0.0000 0.0000 0.0000 191.7051 T0320.try7-opt1.pdb.gz 306 0.5326 1.7012 1.7171 3.1663 3.1495 3.5973 3.6865 2.0770 -4.7166 0.3319 0.1345 -0.0354 0.3532 0.1046 0.0725 0.4741 0.4472 0.3514 0.0000 -0.5004 -0.3674 -0.0688 -0.0610 0.0000 0.0000 0.0000 192.7082 T0320.try6-opt1.pdb.gz 306 0.5256 1.6780 1.7051 3.1133 3.0653 3.5206 3.6787 3.0797 -4.4566 0.3015 0.1545 -0.0717 0.2986 0.1405 0.1140 0.4902 0.4602 0.3706 0.0000 -0.5058 -0.3780 -0.0872 -0.0684 0.0000 0.0000 0.0000 193.3625 T0320.try7-opt2.gromacs0.pdb.gz 306 0.5325 1.7107 1.7040 3.1358 3.1072 3.5191 3.6435 1.5857 -3.2201 0.5556 0.2442 -0.0112 0.0836 0.0523 0.0606 1.0694 1.0435 0.9622 0.0000 -0.5050 -0.3557 -0.0703 -0.0607 0.0000 0.0000 0.0000 195.8087 T0320.try3-opt2.repack-nonPC.pdb.gz 306 0.5642 1.7285 1.7486 3.1698 3.0887 3.5121 3.6309 1.1242 -4.3534 0.3001 0.1436 -0.1074 0.3791 0.2092 0.0855 0.6238 0.6015 0.5150 0.0000 -0.4722 -0.3263 -0.0576 -0.0380 0.0000 0.0000 0.0000 196.6134 T0320.try3-opt2.pdb.gz 306 0.5628 1.7285 1.7486 3.1335 3.0873 3.4975 3.6341 1.0970 -4.3337 0.3001 0.1436 -0.1074 0.4737 0.2092 0.0855 0.6238 0.6015 0.5150 0.0000 -0.4629 -0.3263 -0.0576 -0.0380 0.0000 0.0000 0.0000 197.7996 T0320.try5-opt2.pdb.gz 306 0.5425 1.7409 1.7744 3.1416 3.2678 3.7699 3.9409 3.4807 -5.3421 0.2377 0.1037 -0.1161 0.2021 0.0261 0.0186 0.6932 0.7132 0.7949 0.0000 -0.5156 -0.3703 -0.0198 -0.0133 0.0000 0.0000 0.0000 198.0988 T0320.try4-opt1-scwrl.pdb.gz 306 0.5645 1.6728 1.7061 3.2155 3.2184 3.6707 3.7494 1.1452 -5.1990 0.4034 0.1285 -0.0580 0.7477 0.1601 0.0647 0.4779 0.5043 0.4221 0.0000 -0.5248 -0.4113 -0.0827 -0.0613 0.0000 0.0000 0.0000 198.6338 T0320.try7-opt1-scwrl.pdb.gz 306 0.5420 1.7012 1.7171 3.2525 3.2385 3.6526 3.6902 2.0398 -5.2638 0.3319 0.1345 -0.0354 0.6203 0.1046 0.0725 0.4741 0.4472 0.3514 0.0000 -0.4559 -0.3674 -0.0688 -0.0610 0.0000 0.0000 0.0000 199.5261 T0320.try6-opt2.gromacs0.pdb.gz 306 0.5328 1.6921 1.7283 3.1444 3.0532 3.4921 3.6653 2.8940 -2.7924 0.5861 0.2573 -0.0507 0.0950 0.1209 0.0804 1.1300 1.0887 1.0160 0.0000 -0.5217 -0.3746 -0.0835 -0.0656 0.0000 0.0000 0.0000 200.6693 T0320.try5-opt2.repack-nonPC.pdb.gz 306 0.5414 1.7409 1.7744 3.2251 3.3163 3.8014 3.9616 3.5402 -5.1514 0.2377 0.1037 -0.1161 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-0.0360 0.0000 0.0000 0.0000 203.4790 T0320.try1-opt2.repack-nonPC.pdb.gz 306 0.5582 1.7860 1.7920 3.1987 3.1973 3.6425 3.7484 1.8278 -4.3599 0.3670 0.1674 -0.1061 0.3058 0.1634 0.1380 0.5082 0.4413 0.4321 0.0000 -0.3995 -0.3072 -0.0890 -0.0540 0.0000 -1.0460 0.0000 203.9612 T0320.try5-opt1.pdb.gz 306 0.5373 1.7312 1.7681 3.2013 3.3446 3.8479 4.0014 3.7172 -5.2231 0.2273 0.1046 -0.1189 0.2557 0.0294 0.0157 0.8068 0.8316 0.9213 0.0000 -0.4937 -0.3621 -0.0182 -0.0132 0.0000 0.0000 0.0000 204.6447 T0320.try5-opt1-scwrl.pdb.gz 306 0.5381 1.7312 1.7681 3.2584 3.3771 3.8600 4.0169 3.7409 -5.3099 0.2273 0.1046 -0.1189 0.2712 0.0294 0.0157 0.8068 0.8316 0.9213 0.0000 -0.4893 -0.3621 -0.0182 -0.0132 0.0000 0.0000 0.0000 206.3698 T0320.try1-opt1.pdb.gz 306 0.5584 1.7656 1.7820 3.2547 3.2222 3.6469 3.8122 2.0440 -4.2882 0.4717 0.1506 -0.0622 0.4859 0.1732 0.1356 0.6806 0.5989 0.5883 0.0000 -0.3965 -0.3017 -0.0877 -0.0522 0.0000 0.0000 0.0000 212.1012 T0320.try3-opt1.pdb.gz 306 0.5582 1.7153 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chimera-models.pdb.gz 220 0.3884 1.2366 1.2429 2.2421 2.2051 2.5494 2.6478 4.9663 -3.1915 0.2950 2.9090 -0.0374 0.8598 0.3889 0.0000 0.3155 0.2972 0.2077 0.0000 -0.3762 -0.2883 -0.0522 -0.0380 696.0000 0.0000 0.0000 876.2312 chimera-try3andtry2.pdb.gz 220 0.3884 1.2366 1.2429 2.2421 2.2051 2.5494 2.6478 4.9663 -3.1915 0.2950 2.9090 -0.0374 0.8598 0.3889 0.0000 0.3155 0.2972 0.2077 0.0000 -0.3762 -0.2883 -0.0522 -0.0380 696.0000 0.0000 0.0000 876.2312 chimera-try3andtry4.pdb.gz 220 0.3884 1.2366 1.2429 2.2421 2.2051 2.5494 2.6478 4.9663 -3.1915 0.2950 2.9090 -0.0374 0.8598 0.3889 0.0000 0.3155 0.2972 0.2077 0.0000 -0.3762 -0.2883 -0.0522 -0.0380 696.0000 0.0000 0.0000 876.2312 chimera-try3andtry5.pdb.gz 220 0.3884 1.2366 1.2429 2.2421 2.2051 2.5494 2.6478 4.9663 -3.1915 0.2950 2.9090 -0.0374 0.8598 0.3889 0.0000 0.3155 0.2972 0.2077 0.0000 -0.3762 -0.2883 -0.0522 -0.0380 696.0000 0.0000 0.0000 876.2312 T0320.try3-opt2.repack-1stdomain.pdb.gz 220 0.3884 1.2366 1.2429 2.2421 2.2051 2.5494 2.6478 4.9663 -3.1915 0.2950 2.9090 -0.0374 0.8598 0.3889 0.0000 0.3155 0.2972 0.2077 0.0000 -0.3762 -0.2883 -0.0522 -0.0380 696.0000 0.0000 0.0000 876.2312