# 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 + 20 * deep_knot + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 50 * 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 + 10 * deep_knot ) name length wet6.5 near_backbone way_back dry5 dry6.5 dry8 dry12 phobic_fit deep_knot 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 deep_knot 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 T0344.try30-opt2.pdb.gz 229 0.5466 1.6924 1.7313 3.0604 3.1689 3.5695 3.6772 1.4128 0.0000 0.2351 0.1165 -4.7803 -0.1849 0.1095 0.0699 0.0188 0.4920 0.5213 0.5531 -0.4676 -0.3738 -0.1387 -0.1171 0.0000 0.0000 179.6355 T0344.try30-opt1.pdb.gz 229 0.5522 1.6781 1.7433 3.1125 3.1940 3.5944 3.6955 1.5295 0.0000 0.2358 0.1154 -4.7646 -0.1843 0.0975 0.0699 0.0195 0.4986 0.5237 0.5505 -0.4629 -0.3672 -0.1366 -0.1194 0.0000 0.0000 181.2923 T0344.try29-opt2.pdb.gz 229 0.5481 1.6940 1.7415 3.1341 3.2213 3.6344 3.7209 1.7407 0.0000 0.2367 0.1149 -4.7849 -0.1843 0.0755 0.0611 0.0183 0.4978 0.5229 0.5497 -0.4531 -0.3724 -0.1361 -0.1181 0.0000 0.0000 181.9964 T0344.try8-opt2.pdb.gz 229 0.5309 1.6366 1.6559 3.0758 3.1672 3.5123 3.6603 0.9088 0.0000 0.1738 0.1125 -5.0525 -0.2017 0.1281 0.0568 0.0228 0.3629 0.5508 0.4944 -0.4452 -0.3710 -0.0879 -0.0791 0.0000 0.0000 182.4194 T0344.try10-opt2.pdb.gz 229 0.5299 1.6337 1.6554 3.0407 3.1779 3.6309 3.7599 2.7041 0.0000 0.1410 0.0844 -5.1449 -0.1937 0.1455 0.0437 0.0150 0.4672 0.6133 0.5555 -0.4825 -0.3916 -0.1169 -0.1015 0.0000 0.0000 182.7221 T0344.try30-opt2.repack-nonPC.pdb.gz 229 0.5535 1.6924 1.7313 3.1446 3.2394 3.6038 3.6934 1.4436 0.0000 0.2351 0.1165 -4.5660 -0.1849 0.0890 0.0699 0.0188 0.4920 0.5213 0.5531 -0.4508 -0.3738 -0.1387 -0.1171 0.0000 0.0000 183.1977 T0344.try36-opt2.pdb.gz 229 0.6040 1.8242 1.8698 3.0481 3.1300 3.5469 3.6841 1.2657 0.0000 0.3987 0.1089 -4.9307 -0.0759 0.1758 0.0786 0.0402 0.2982 0.3153 0.3057 -0.5104 -0.4104 -0.1635 -0.1332 0.0000 0.0000 183.4322 T0344.try12-opt2.pdb.gz 229 0.5497 1.6689 1.6978 3.0586 3.1262 3.5451 3.6935 2.4457 0.0000 0.1148 0.0925 -5.3769 -0.1481 0.1486 0.0437 0.0181 0.5050 0.6342 0.5762 -0.4529 -0.3444 -0.0888 -0.0816 0.0000 0.0000 184.7003 T0344.try8-opt2.repack-nonPC.pdb.gz 229 0.5548 1.6366 1.6559 3.1793 3.2283 3.5514 3.6659 0.9395 0.0000 0.1738 0.1125 -4.9156 -0.2017 0.0981 0.0568 0.0228 0.3629 0.5508 0.4944 -0.4515 -0.3710 -0.0879 -0.0791 0.0000 0.0000 185.3831 T0344.try10-opt2.repack-nonPC.pdb.gz 229 0.5311 1.6337 1.6554 3.0923 3.2159 3.6591 3.7752 2.7546 0.0000 0.1410 0.0844 -4.9488 -0.1937 0.1349 0.0437 0.0150 0.4672 0.6133 0.5555 -0.4677 -0.3916 -0.1169 -0.1015 0.0000 0.0000 185.4019 T0344.try10-opt2.gromacs0.pdb.gz 229 0.5316 1.6436 1.6590 3.0935 3.2010 3.6433 3.7607 2.7055 0.0000 0.1250 0.1998 -4.7327 -0.1749 0.0372 0.0349 0.0140 0.6625 0.8230 0.7597 -0.4891 -0.3914 -0.1169 -0.1006 0.0000 0.0000 185.4931 T0344.try29-opt2.repack-nonPC.pdb.gz 229 0.5521 1.6940 1.7415 3.1721 3.2893 3.6823 3.7401 1.7453 0.0000 0.2367 0.1149 -4.5686 -0.1843 0.0698 0.0611 0.0183 0.4978 0.5229 0.5497 -0.4394 -0.3724 -0.1361 -0.1181 0.0000 0.0000 185.6790 T0344.try36-opt2.repack-nonPC.pdb.gz 229 0.5983 1.8242 1.8698 3.1365 3.1853 3.5745 3.7027 1.3062 0.0000 0.3987 0.1089 -4.7706 -0.0759 0.1517 0.0786 0.0402 0.2982 0.3153 0.3057 -0.4916 -0.4104 -0.1635 -0.1332 0.0000 0.0000 186.0558 T0344.try29-opt1.pdb.gz 229 0.5472 1.6994 1.7419 3.1491 3.2488 3.6471 3.7266 1.7846 0.0000 0.2407 0.1145 -4.6612 -0.1809 0.1070 0.0611 0.0210 0.4969 0.5229 0.5497 -0.4342 -0.3639 -0.1327 -0.1149 0.0000 0.0000 186.5448 T0344.try10-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5356 1.6436 1.6590 3.1340 3.2247 3.6706 3.7786 2.7588 0.0000 0.1250 0.1998 -4.8022 -0.1749 0.0339 0.0349 0.0140 0.6625 0.8230 0.7597 -0.4680 -0.3914 -0.1169 -0.1006 0.0000 0.0000 186.8319 T0344.try8-opt2.gromacs0.pdb.gz 229 0.5346 1.6471 1.6691 3.1114 3.1853 3.5206 3.6614 0.9096 0.0000 0.1403 0.2087 -4.4323 -0.1973 0.0282 0.0087 0.0158 0.6660 0.8634 0.7871 -0.4472 -0.3543 -0.0815 -0.0689 0.0000 0.0000 186.9722 T0344.try9-opt2.pdb.gz 229 0.5340 1.7698 1.7770 3.0279 3.0794 3.4176 3.5620 0.1261 0.0000 0.2726 0.0942 -4.3815 -0.0073 0.1848 0.0175 0.0290 0.8422 0.8330 0.7523 -0.4645 -0.3683 -0.1176 -0.0961 0.0000 0.0000 187.9113 T0344.try6-opt2.pdb.gz 229 0.5520 1.6699 1.6893 3.0629 3.1712 3.5460 3.6503 0.5027 0.0000 0.1457 0.0981 -5.1037 -0.2025 0.1661 0.0568 0.0174 0.5849 0.7050 0.6694 -0.4144 -0.3178 -0.0711 -0.0613 0.0000 0.0000 188.0508 T0344.try12-opt2.repack-nonPC.pdb.gz 229 0.5468 1.6689 1.6978 3.1379 3.1746 3.5822 3.7033 2.4842 0.0000 0.1148 0.0925 -5.0972 -0.1481 0.1302 0.0437 0.0181 0.5050 0.6342 0.5762 -0.4250 -0.3444 -0.0888 -0.0816 0.0000 0.0000 188.1195 T0344.try36-opt1.pdb.gz 229 0.6063 1.8296 1.8686 3.0414 3.1336 3.5450 3.6940 1.2573 0.0000 0.4114 0.1125 -4.7904 -0.0796 0.2212 0.0830 0.0419 0.4016 0.4225 0.4122 -0.5065 -0.4078 -0.1636 -0.1328 0.0000 0.0000 188.3050 T0344.try10-opt1.pdb.gz 229 0.5352 1.6434 1.6585 3.1054 3.2038 3.6409 3.7695 2.7063 0.0000 0.0875 0.0785 -4.9767 -0.1879 0.1789 0.0524 0.0093 0.5482 0.7128 0.6519 -0.4309 -0.3599 -0.1062 -0.0909 0.0000 0.0000 188.6301 T0344.try8-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5482 1.6471 1.6691 3.1490 3.2291 3.5539 3.6726 0.9391 0.0000 0.1403 0.2087 -4.5143 -0.1973 0.0243 0.0087 0.0158 0.6660 0.8634 0.7871 -0.4329 -0.3543 -0.0815 -0.0689 0.0000 0.0000 188.6957 T0344.try12-opt2.gromacs0.pdb.gz 229 0.5514 1.6872 1.7082 3.0931 3.1515 3.5527 3.6944 2.4502 0.0000 0.1369 0.2216 -4.6215 -0.1941 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190.9981 T0344.try9-opt2.repack-nonPC.pdb.gz 229 0.5425 1.7698 1.7770 3.1174 3.1405 3.4395 3.5633 0.1192 0.0000 0.2726 0.0942 -4.2315 -0.0073 0.1768 0.0175 0.0290 0.8422 0.8330 0.7523 -0.4790 -0.3683 -0.1176 -0.0961 0.0000 0.0000 191.2040 T0344.try14-opt2.pdb.gz 229 0.5384 1.6599 1.6586 3.0941 3.1995 3.5955 3.7781 3.6179 0.0000 0.1416 0.0943 -5.1748 -0.2117 0.1399 0.1179 0.0141 0.5932 0.6986 0.6100 -0.4010 -0.3155 -0.0927 -0.0752 0.0000 0.0000 191.2345 T0344.try34-opt2.pdb.gz 229 0.6032 1.8404 1.8561 3.0062 3.1217 3.5380 3.6917 1.2278 0.0000 0.4066 0.1272 -4.8014 -0.0686 0.2538 0.1048 0.0568 0.3560 0.3652 0.3504 -0.5037 -0.4066 -0.1635 -0.1326 0.0000 0.0000 191.6082 T0344.try5-opt2.pdb.gz 229 0.5610 1.7382 1.7748 3.1047 3.1874 3.3724 3.5213 -0.0864 0.0000 0.4257 0.1064 -4.4817 -0.0373 0.1819 0.0349 0.0446 0.6035 0.6245 0.6236 -0.5207 -0.3722 -0.1133 -0.0991 0.0000 0.0000 191.6107 T0344.try12-opt1.pdb.gz 229 0.5553 1.6659 1.7205 3.1206 3.1714 3.5570 3.6999 2.4846 0.0000 0.0879 0.0987 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