# 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) + 5 * phobic_fit + 7 * sidechain + 7 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 40 * soft_clashes + 2 * backbone_clashes + 150 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms + 0.5 * maybe_metal ) 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 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 T0342.try5-opt2.pdb.gz 188 0.5309 1.5942 1.6749 3.0615 3.1301 3.5094 3.6563 0.3885 -4.7174 0.2044 0.1758 -0.0594 0.1157 0.0691 0.0840 0.4101 0.4153 0.3875 -0.2130 -0.5358 -0.4072 -0.1441 -0.1200 0.0000 0.0000 167.2743 T0342.try4-opt2.pdb.gz 188 0.5624 1.6309 1.7014 3.0292 3.1701 3.6141 3.8075 0.7992 -4.5409 0.3575 0.1320 -0.1084 0.0956 0.0372 0.0415 0.5490 0.4960 0.4391 -0.2470 -0.5501 -0.4226 -0.1332 -0.1175 0.0000 0.0000 167.9169 T0342.try4-opt2.repack-nonPC.pdb.gz 188 0.5605 1.6309 1.7014 3.1122 3.2399 3.6223 3.8049 0.7257 -4.7151 0.3575 0.1320 -0.1084 0.0751 0.0372 0.0415 0.5490 0.4960 0.4391 -0.2338 -0.5695 -0.4226 -0.1332 -0.1175 0.0000 0.0000 168.2651 T0342.try5-opt2.repack-nonPC.pdb.gz 188 0.5414 1.5942 1.6749 3.0776 3.1429 3.5318 3.6580 0.4054 -4.6703 0.2044 0.1758 -0.0594 0.1086 0.0691 0.0840 0.4101 0.4153 0.3875 -0.2176 -0.5003 -0.4072 -0.1441 -0.1200 0.0000 0.0000 168.5334 T0342.try2-opt2.pdb.gz 188 0.5466 1.6039 1.6856 3.0738 3.1863 3.5367 3.7136 0.6711 -4.7920 0.3354 0.1509 -0.0551 0.1552 0.0691 0.0311 0.3426 0.3641 0.3645 0.2764 -0.5527 -0.4101 -0.1508 -0.1224 0.0000 0.0000 168.7608 T0342.try4-opt2.gromacs0.pdb.gz 188 0.5654 1.6211 1.6920 3.0591 3.1726 3.6164 3.8051 0.7966 -3.8013 0.3092 0.2209 -0.1275 0.0200 0.0266 0.0245 0.7491 0.7117 0.6406 -0.2420 -0.5465 -0.4123 -0.1258 -0.1119 0.0000 0.0000 170.7350 T0342.try3-opt2.pdb.gz 188 0.5006 1.5371 1.6256 3.0790 3.1724 3.5669 3.7299 0.3541 -4.4281 0.7088 0.1537 -0.0644 0.1112 0.0798 0.0614 0.4381 0.4477 0.4267 -0.1792 -0.5286 -0.3929 -0.1430 -0.1173 0.0000 0.0000 171.2668 T0342.try4-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5642 1.6211 1.6920 3.1224 3.2320 3.6320 3.7986 0.7260 -4.0802 0.3092 0.2209 -0.1275 0.0448 0.0266 0.0245 0.7491 0.7117 0.6406 -0.2426 -0.5365 -0.4123 -0.1258 -0.1119 0.0000 0.0000 171.7881 T0342.try2-opt2.repack-nonPC.pdb.gz 188 0.5422 1.6039 1.6856 3.1690 3.2605 3.5639 3.7233 0.7470 -4.5053 0.3354 0.1509 -0.0551 0.1261 0.0691 0.0311 0.3426 0.3641 0.3645 0.2876 -0.5358 -0.4101 -0.1508 -0.1224 0.0000 0.0000 173.4792 T0342.try3-opt2.repack-nonPC.pdb.gz 188 0.5245 1.5371 1.6256 3.1195 3.2489 3.6075 3.7428 0.3800 -4.3615 0.7088 0.1537 -0.0644 0.0909 0.0798 0.0614 0.4381 0.4477 0.4267 -0.1560 -0.5059 -0.3929 -0.1430 -0.1173 0.0000 0.0000 174.5610 T0342.try1-opt2.pdb.gz 188 0.5518 1.5585 1.6183 3.0501 3.0443 3.4411 3.6225 -0.0337 -4.9703 0.3372 0.1833 -0.0991 0.2178 0.0745 0.1427 0.3409 0.3887 0.3533 -0.2300 -0.5461 -0.4022 -0.1463 -0.0988 0.0000 -1.0471 174.9250 T0342.try5-opt2.gromacs0.pdb.gz 188 0.5350 1.5926 1.6467 3.0935 3.1512 3.5171 3.6624 0.3817 -3.5805 0.4400 0.2631 -0.0466 0.0260 0.0213 0.0641 0.7733 0.8533 0.7721 -0.2388 -0.5182 -0.3863 -0.1325 -0.1120 0.0000 0.0000 175.8563 T0342.try1-opt2.repack-nonPC.pdb.gz 188 0.5528 1.5585 1.6183 3.1174 3.1023 3.4736 3.6382 0.0402 -4.8728 0.3372 0.1833 -0.0991 0.1695 0.0745 0.1427 0.3409 0.3887 0.3533 -0.2430 -0.5341 -0.4022 -0.1463 -0.0988 0.0000 -1.0471 176.7272 T0342.try5-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5562 1.5926 1.6467 3.1316 3.1774 3.5347 3.6700 0.4202 -3.6983 0.4400 0.2631 -0.0466 0.0282 0.0213 0.0641 0.7733 0.8533 0.7721 -0.2383 -0.4779 -0.3863 -0.1325 -0.1120 0.0000 0.0000 177.2339 T0342.try3-opt2.gromacs0.pdb.gz 188 0.5028 1.5450 1.6102 3.1250 3.1891 3.5808 3.7298 0.3540 -3.3406 0.3743 0.2574 0.0161 0.0315 0.0372 0.0447 0.9860 1.0586 0.9652 -0.1563 -0.5294 -0.3933 -0.1367 -0.1105 0.0000 0.0000 178.0400 T0342.try2-opt2.gromacs0.pdb.gz 188 0.5485 1.6121 1.6807 3.1001 3.2024 3.5559 3.7184 0.6732 -3.4015 0.2680 0.2312 -0.0280 0.0343 0.0266 0.0385 0.8016 0.9127 0.8675 0.2820 -0.5481 -0.3941 -0.1419 -0.1151 0.0000 0.0000 180.6618 T0342.try4-opt1.pdb.gz 188 0.5755 1.6291 1.7063 3.1329 3.2492 3.6197 3.8229 0.8315 -4.3160 0.3944 0.1376 -0.1021 0.2079 0.0798 0.0437 0.6598 0.6166 0.5627 -0.1893 -0.5195 -0.4106 -0.1257 -0.1092 0.0000 0.0000 181.1735 T0342.try5-opt1.pdb.gz 188 0.5389 1.5910 1.6532 3.1418 3.2116 3.5609 3.7203 0.6979 -4.5085 0.2407 0.1661 -0.0336 0.2104 0.0851 0.0866 0.6429 0.7203 0.6480 -0.1673 -0.4827 -0.3723 -0.1304 -0.1028 0.0000 0.0000 183.7654 T0342.try2-opt1.pdb.gz 188 0.5674 1.6277 1.6915 3.1460 3.2541 3.5935 3.7389 0.7321 -4.2587 0.2787 0.1585 -0.0604 0.1875 0.0479 0.0522 0.5712 0.6709 0.6396 0.3640 -0.5368 -0.3934 -0.1361 -0.1066 0.0000 0.0000 185.8102 T0342.try1-opt1.pdb.gz 188 0.5633 1.5703 1.6248 3.0993 3.1102 3.4712 3.6373 0.0528 -4.3671 0.3503 0.1784 -0.0675 0.3231 0.0691 0.1311 0.5795 0.6250 0.5615 -0.2079 -0.5113 -0.3793 -0.1406 -0.0958 0.0000 -1.0470 187.6686 T0342.try3-opt1.pdb.gz 188 0.5039 1.5461 1.6209 3.1485 3.2455 3.5957 3.7398 0.3507 -4.1283 0.6710 0.1578 -0.0110 0.2408 0.0957 0.0784 0.6439 0.6992 0.6312 -0.1559 -0.4694 -0.3659 -0.1304 -0.1079 0.0000 0.0000 187.8959 T0342.try4-opt1-scwrl.pdb.gz 188 0.5686 1.6291 1.7063 3.2228 3.3850 3.6550 3.8171 0.7765 -5.2363 0.3944 0.1376 -0.1021 0.4603 0.0798 0.0437 0.6598 0.6166 0.5627 -0.1939 -0.5038 -0.4106 -0.1257 -0.1092 0.0000 0.0000 189.0470 T0342.try2-opt1-scwrl.pdb.gz 188 0.5642 1.6277 1.6915 3.1641 3.3574 3.5889 3.7317 0.8093 -4.7117 0.2787 0.1585 -0.0604 0.3842 0.0479 0.0522 0.5712 0.6709 0.6396 0.3668 -0.5337 -0.3934 -0.1361 -0.1066 0.0000 0.0000 193.1188 T0342.try5-opt1-scwrl.pdb.gz 188 0.5429 1.5910 1.6532 3.2196 3.2679 3.5809 3.7267 0.7377 -5.0087 0.2407 0.1661 -0.0336 0.4616 0.0851 0.0866 0.6429 0.7203 0.6480 -0.1675 -0.4822 -0.3723 -0.1304 -0.1028 0.0000 0.0000 193.1989 T0342.try1-opt2.gromacs0.pdb.gz 188 0.5539 1.5766 1.6025 3.0933 3.0697 3.4472 3.6282 -0.0428 -2.8863 0.9951 0.3199 -0.1115 0.1170 0.1702 0.1313 0.8255 0.9239 0.8423 -0.2434 -0.5324 -0.3660 -0.1269 -0.0952 0.0000 -1.0399 195.8023 T0342.try3-opt1-scwrl.pdb.gz 188 0.5307 1.5461 1.6209 3.2285 3.3733 3.6129 3.7643 0.2875 -4.8200 0.6710 0.1578 -0.0110 0.4737 0.0957 0.0784 0.6439 0.6992 0.6312 -0.1595 -0.4628 -0.3659 -0.1304 -0.1079 0.0000 0.0000 196.5870 T0342.try1-opt1-scwrl.pdb.gz 188 0.5653 1.5703 1.6248 3.1260 3.2191 3.5164 3.6482 0.0659 -4.9802 0.3503 0.1784 -0.0675 0.5868 0.0691 0.1311 0.5795 0.6250 0.5615 -0.2204 -0.4990 -0.3793 -0.1406 -0.0958 0.0000 -1.0225 197.2805