# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 20 * dry5(5) + 25 * dry6.5(6.5) + 20 * dry8(8) + 6 * dry12(12) + 5 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * 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 ) 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 T0361.try4-opt2.pdb.gz 169 0.5652 1.7301 1.7569 2.8977 2.9279 3.3891 3.6679 0.8762 -6.9059 0.1491 0.1288 -0.0871 0.1419 0.0355 0.0694 -0.2947 -0.3066 -0.3267 -0.6010 -0.8220 -0.6392 -0.0105 0.0000 0.0000 205.7908 T0361.try5-opt2.pdb.gz 169 0.5294 1.6559 1.7273 2.8353 2.8783 3.4144 3.6422 0.8108 -7.0395 0.1579 0.0926 -0.0307 0.1709 0.0118 0.0218 -0.1595 -0.0949 -0.0796 -0.2389 -0.7233 -0.5612 -0.0061 0.0000 0.0000 206.0205 T0361.try5-opt1.pdb.gz 169 0.5381 1.6591 1.7301 2.8504 2.8859 3.4201 3.6489 0.8077 -6.9966 0.1672 0.0895 -0.0111 0.1677 0.0118 0.0257 -0.2965 -0.2213 -0.2081 -0.2453 -0.7283 -0.5576 -0.0065 0.0000 0.0000 206.4132 T0361.try2-opt2.pdb.gz 169 0.5352 1.6585 1.7304 2.8518 2.8938 3.4214 3.6588 0.8125 -6.9881 0.1688 0.0900 -0.0111 0.1752 0.0118 0.0260 -0.2936 -0.2176 -0.2042 -0.2485 -0.7251 -0.5552 -0.0065 0.0000 0.0000 206.9529 T0361.try4-opt1.pdb.gz 169 0.5656 1.7326 1.7658 2.9091 2.9452 3.4025 3.6762 0.8931 -6.7555 0.1574 0.1265 -0.0899 0.1543 0.0473 0.0692 -0.1792 -0.2603 -0.2670 -0.5975 -0.7999 -0.6320 -0.0105 0.0000 0.0000 208.5929 T0361.try3-opt2.pdb.gz 169 0.5654 1.7237 1.7650 2.9183 2.9387 3.4074 3.6780 0.9126 -6.7347 0.1632 0.1295 -0.0899 0.1505 0.0473 0.0828 -0.1775 -0.2586 -0.2654 -0.6081 -0.7955 -0.6310 -0.0106 0.0000 0.0000 209.4698 T0361.try2-opt1.pdb.gz 169 0.5456 1.6769 1.7275 2.8547 2.9192 3.4456 3.6739 0.8519 -6.8359 0.1684 0.0876 -0.0067 0.1730 0.0118 0.0176 -0.1990 -0.1244 -0.1188 -0.2059 -0.7161 -0.5469 -0.0063 0.0000 0.0000 210.0530 T0361.try4-opt2.repack-nonPC.pdb.gz 169 0.5651 1.7301 1.7569 3.0356 3.0070 3.4328 3.6968 0.9121 -6.7890 0.1491 0.1288 -0.0871 0.0873 0.0355 0.0694 -0.2947 -0.3066 -0.3267 -0.5805 -0.8104 -0.6392 -0.0105 0.0000 0.0000 211.5059 T0361.try2-opt2.repack-nonPC.pdb.gz 169 0.5420 1.6585 1.7304 2.8932 2.9136 3.4607 3.6612 0.9164 -6.4713 0.1688 0.0900 -0.0111 0.1234 0.0118 0.0260 -0.2936 -0.2176 -0.2042 -0.2235 -0.6994 -0.5552 -0.0065 0.0000 0.0000 211.6260 T0361.try5-opt2.repack-nonPC.pdb.gz 169 0.5427 1.6559 1.7273 2.9056 2.9085 3.4521 3.6516 0.9399 -6.4813 0.1579 0.0926 -0.0307 0.1137 0.0118 0.0218 -0.1595 -0.0949 -0.0796 -0.2195 -0.7140 -0.5612 -0.0061 0.0000 0.0000 211.7258 T0361.try5-opt1-scwrl.pdb.gz 169 0.5575 1.6591 1.7301 2.9160 2.9572 3.4713 3.6735 0.8356 -7.0021 0.1672 0.0895 -0.0111 0.2895 0.0118 0.0257 -0.2965 -0.2213 -0.2081 -0.2323 -0.7153 -0.5576 -0.0065 0.0000 0.0000 213.7154 T0361.try3-opt2.repack-nonPC.pdb.gz 169 0.5710 1.7237 1.7650 3.0275 2.9971 3.4528 3.7074 0.9433 -6.6818 0.1632 0.1295 -0.0899 0.0891 0.0473 0.0828 -0.1775 -0.2586 -0.2654 -0.5872 -0.7744 -0.6310 -0.0106 0.0000 0.0000 213.7880 T0361.try5-opt2.gromacs0.pdb.gz 169 0.5323 1.6675 1.7400 2.8950 2.8852 3.4246 3.6481 0.8145 -5.9018 0.1417 0.1710 -0.0014 0.0456 0.0118 0.0034 0.2447 0.3544 0.3670 -0.2314 -0.7038 -0.5394 -0.0058 0.0000 0.0000 213.9264 T0361.try2-opt2.gromacs0.pdb.gz 169 0.5382 1.6737 1.7415 2.9039 2.9073 3.4295 3.6615 0.8167 -5.9245 0.1520 0.1709 0.0008 0.0550 0.0118 0.0032 0.2419 0.3526 0.3643 -0.2324 -0.7044 -0.5376 -0.0069 0.0000 0.0000 215.0346 T0361.try4-opt1-scwrl.pdb.gz 169 0.5718 1.7326 1.7658 3.0461 3.0217 3.4537 3.7068 0.9148 -7.0251 0.1574 0.1265 -0.0899 0.2262 0.0473 0.0692 -0.1792 -0.2603 -0.2670 -0.5786 -0.7771 -0.6320 -0.0105 0.0000 0.0000 215.0473 T0361.try2-opt1-scwrl.pdb.gz 169 0.5639 1.6769 1.7275 2.9586 2.9552 3.4847 3.6927 0.8762 -6.8150 0.1684 0.0876 -0.0067 0.2961 0.0118 0.0176 -0.1990 -0.1244 -0.1188 -0.2165 -0.6913 -0.5469 -0.0063 0.0000 0.0000 216.9089 T0361.try5-opt2.gromacs0.repack-nonPC.pdb.gz 169 0.5459 1.6675 1.7400 2.9027 2.9249 3.4546 3.6612 0.9487 -5.8377 0.1417 0.1710 -0.0014 0.0356 0.0118 0.0034 0.2447 0.3544 0.3670 -0.2235 -0.6860 -0.5394 -0.0058 0.0000 0.0000 216.9136 T0361.try3-opt1.pdb.gz 169 0.5606 1.6620 1.7305 2.9191 2.9704 3.4589 3.7657 1.5524 -6.5618 0.1411 0.1419 -0.0721 0.1624 0.0355 0.1200 -0.2277 -0.2878 -0.2905 -0.5997 -0.7922 -0.6326 -0.0093 0.0000 0.0000 217.4588 T0361.try4-opt2.gromacs0.pdb.gz 169 0.5727 1.7711 1.7762 2.9379 2.9542 3.4035 3.6713 0.8738 -5.4047 0.3000 0.2446 -0.0147 0.0383 0.0237 0.0621 0.1825 0.0887 0.0947 -0.5811 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1.7624 1.7837 3.0443 3.0170 3.4492 3.7004 0.8925 -5.8098 0.5700 0.2379 -0.0450 0.0345 0.0296 0.0786 0.1353 0.0513 0.0555 -0.5030 -0.7506 -0.6029 -0.0103 0.0000 0.0000 224.0580 T0361.try3-opt1-scwrl.pdb.gz 169 0.5818 1.6620 1.7305 3.0491 3.0565 3.5014 3.7970 1.5856 -7.0519 0.1411 0.1419 -0.0721 0.2961 0.0355 0.1200 -0.2277 -0.2878 -0.2905 -0.5767 -0.7759 -0.6326 -0.0093 0.0000 0.0000 224.2720 T0361.try1-opt2.repack-nonPC.pdb.gz 169 0.5603 1.6454 1.7661 3.0065 3.0118 3.4885 3.8236 2.4771 -6.8498 0.1291 0.1174 -0.0629 0.0774 0.0178 0.0367 -0.2882 -0.2459 -0.2696 0.2569 -0.8504 -0.7018 -0.0101 0.0000 0.0000 225.8456 T0361.try1-opt1.pdb.gz 169 0.5566 1.6445 1.7532 2.9538 2.9777 3.4745 3.8043 2.4822 -6.3288 0.1309 0.1269 -0.0336 0.1982 0.0118 0.0455 -0.3100 -0.2760 -0.2738 0.3242 -0.8027 -0.6712 -0.0089 0.0000 0.0000 230.3080 T0361.try1-opt2.gromacs0.pdb.gz 169 0.5674 1.6669 1.7744 2.9642 2.9656 3.4786 3.8023 2.4487 -5.7976 0.2273 0.2066 -0.0192 0.0284 0.0178 0.0430 -0.0452 0.0002 -0.0179 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