# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 15 * 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 + 1 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 0.1 * pred_alpha2k + 0.1 * pred_alpha04 + 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 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 T0287.try1-opt2.pdb.gz 199 0.5591 1.6478 1.6614 3.0388 2.9680 3.3426 3.5575 0.5996 -4.4695 0.2940 0.1551 -0.1002 0.2728 0.0201 0.0726 0.9960 1.1889 -0.0950 -0.5750 -0.4373 -0.1127 -0.0843 0.0000 200.6078 T0287.try1-opt2.repack-nonPC.pdb.gz 199 0.5718 1.6478 1.6614 3.1346 3.0122 3.3676 3.5542 0.5958 -3.7779 0.2940 0.1551 -0.1002 0.1840 0.0201 0.0726 0.9960 1.1889 -0.0953 -0.5570 -0.4373 -0.1127 -0.0843 0.0000 202.4734 T0287.try3-opt2.pdb.gz 199 0.5558 1.6823 1.6978 3.0647 3.0212 3.3512 3.5937 0.9750 -4.4032 0.2492 0.1510 -0.0102 0.3138 0.0251 0.0429 0.6563 0.7263 -0.1049 -0.5741 -0.4558 -0.1187 -0.0858 0.0000 202.5563 T0287.try3-opt2.gromacs0.pdb.gz 199 0.5557 1.6858 1.7230 3.0828 3.0360 3.3557 3.5927 0.9802 -2.9667 0.2760 0.2585 0.0346 0.0945 0.0201 0.0537 1.1982 1.4007 -0.1047 -0.5859 -0.4444 -0.1182 -0.0842 0.0000 202.7466 T0287.try1-opt2.gromacs0.pdb.gz 199 0.5631 1.6535 1.6539 3.0765 2.9706 3.3451 3.5548 0.5985 -3.2125 0.7209 0.2852 -0.0095 0.0819 0.0302 0.0726 1.1881 1.4232 -0.0941 -0.5748 -0.4206 -0.1128 -0.0831 0.0000 203.0385 T0287.try4-opt2.gromacs0.pdb.gz 199 0.5681 1.6961 1.7164 3.0927 2.9926 3.3900 3.6181 0.7328 -2.0388 0.2554 0.2882 0.0293 0.1089 0.0302 0.0720 1.2339 1.4770 -0.0936 -0.5629 -0.4359 -0.1283 -0.0931 0.0000 203.7373 T0287.try4-opt2.pdb.gz 199 0.5747 1.6708 1.7079 3.0669 2.9888 3.3826 3.6131 0.7317 -4.3685 0.1953 0.1742 -0.0312 0.3807 0.0151 0.0729 0.4115 0.4688 -0.0939 -0.5627 -0.4561 -0.1262 -0.0935 0.0000 203.8665 T0287.try3-opt2.repack-nonPC.pdb.gz 199 0.5681 1.6823 1.6978 3.1583 3.0937 3.4268 3.5976 0.9673 -4.0111 0.2492 0.1510 -0.0102 0.1834 0.0251 0.0429 0.6563 0.7263 -0.1058 -0.5667 -0.4558 -0.1187 -0.0858 0.0000 204.5442 T0287.try4-opt2.repack-nonPC.pdb.gz 199 0.5691 1.6708 1.7079 3.1561 3.0917 3.4215 3.6228 0.7656 -4.1593 0.1953 0.1742 -0.0312 0.2088 0.0151 0.0729 0.4115 0.4688 -0.0941 -0.5725 -0.4561 -0.1262 -0.0935 0.0000 204.6000 T0287.try1-opt1.pdb.gz 199 0.5668 1.6716 1.6544 3.0890 2.9943 3.3639 3.5731 0.6359 -4.1565 0.2325 0.1647 -0.0166 0.4265 0.0151 0.0696 1.0911 1.2908 -0.0911 -0.5307 -0.4184 -0.1111 -0.0797 0.0000 207.2376 T0287.try5-opt2.repack-nonPC.pdb.gz 199 0.5341 1.6410 1.6813 3.1209 3.0198 3.3868 3.5891 1.2505 -4.3029 0.3043 0.1808 -0.0137 0.1524 0.0402 0.1364 0.2606 0.2433 -0.0943 -0.5242 -0.4178 -0.1054 -0.0749 0.0000 207.9464 T0287.try3-opt1.pdb.gz 199 0.5714 1.6853 1.7127 3.0871 3.0599 3.3922 3.6070 1.0076 -4.0716 0.2267 0.1488 0.0192 0.4171 0.0251 0.0345 0.8719 0.9937 -0.1043 -0.5253 -0.4351 -0.1126 -0.0817 0.0000 207.9829 T0287.try5-opt2.pdb.gz 199 0.5305 1.6410 1.6813 3.0603 2.9818 3.3748 3.5731 1.1927 -4.5470 0.3043 0.1808 -0.0137 0.2847 0.0402 0.1364 0.2606 0.2433 -0.0942 -0.5366 -0.4178 -0.1054 -0.0749 0.0000 208.1904 T0287.try5-opt2.gromacs0.pdb.gz 199 0.5318 1.6712 1.7013 3.0942 3.0119 3.3796 3.5737 1.1960 -2.3607 0.4294 0.2751 0.0843 0.0899 0.0201 0.0928 1.0806 1.2174 -0.0928 -0.5604 -0.4181 -0.1028 -0.0756 0.0000 208.2142 T0287.try9-opt2.pdb.gz 199 0.5445 1.7630 1.7992 3.0157 2.9836 3.3355 3.6059 0.5830 -2.5333 0.3887 0.1203 0.0920 0.2246 0.0101 0.1257 1.1651 1.3745 -0.1209 -0.5319 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3.4313 3.6761 0.8679 -2.8537 0.3732 0.1365 0.0999 0.1360 0.0352 0.1350 1.0652 1.2576 -0.1328 -0.5120 -0.4058 -0.0831 -0.0658 0.0000 214.7673 T0287.try6-opt2.pdb.gz 199 0.5764 1.7749 1.8232 3.1042 3.0250 3.4116 3.6635 0.8496 -4.6840 0.3814 0.1776 0.0476 0.3109 0.0553 0.1795 0.4690 0.5268 -0.1177 -0.5465 -0.3999 -0.1024 -0.0793 0.0000 216.3231 T0287.try6-opt2.repack-nonPC.pdb.gz 199 0.5564 1.7749 1.8232 3.1381 3.0831 3.4356 3.6679 0.8717 -4.0177 0.3814 0.1776 0.0476 0.1903 0.0553 0.1795 0.4690 0.5268 -0.1186 -0.5437 -0.3999 -0.1024 -0.0793 0.0000 216.3787 T0287.try5-opt1.pdb.gz 199 0.5383 1.6811 1.6821 3.1530 3.0657 3.4358 3.5990 1.2652 -4.0249 0.3187 0.1490 -0.0180 0.4504 0.0402 0.1253 0.5790 0.6271 -0.0944 -0.5181 -0.4191 -0.1074 -0.0709 0.0000 216.6309 T0287.try7-opt2.repack-nonPC.pdb.gz 199 0.5780 1.7291 1.8241 3.1450 3.0461 3.4461 3.6699 0.7296 -2.9714 0.3638 0.1600 0.0519 0.1967 0.0553 0.1719 0.9284 1.0639 -0.1202 -0.5476 -0.4258 -0.1023 -0.0647 0.0000 217.0847 T0287.try9-opt1.pdb.gz 199 0.5566 1.7517 1.8053 3.1195 3.0608 3.3764 3.6119 0.6102 -2.5248 0.3904 0.1142 0.1239 0.2911 0.0151 0.1327 1.4344 1.6853 -0.1187 -0.5052 -0.3767 -0.0913 -0.0640 0.0000 217.1251 T0287.try2-opt1.pdb.gz 199 0.5155 1.6605 1.7197 2.9178 2.9676 3.8069 4.0895 3.6797 -6.1956 0.2059 0.1040 -0.0736 0.1567 0.0352 0.0096 -0.1013 -0.1418 -0.0684 -0.7461 -0.6521 -0.0069 0.0000 0.0000 217.1524 T0287.try2-opt1-scwrl.pdb.gz 199 0.5176 1.6605 1.7197 2.9183 2.9836 3.8068 4.0999 3.6810 -6.3474 0.2059 0.1040 -0.0736 0.1784 0.0352 0.0096 -0.1013 -0.1418 -0.0687 -0.7591 -0.6521 -0.0069 0.0000 0.0000 217.7777 T0287.try8-opt1.pdb.gz 199 0.5611 1.7515 1.7975 3.1221 3.0211 3.4353 3.6846 0.9284 -3.0920 0.3600 0.1278 0.1078 0.2968 0.0302 0.1442 1.1493 1.3649 -0.1280 -0.5331 -0.3955 -0.0842 -0.0620 0.0000 218.4108 T0287.try4-opt1-scwrl.pdb.gz 199 0.5803 1.7066 1.7070 3.2144 3.1327 3.4741 3.6466 0.7344 -4.5727 0.1910 0.1682 -0.0053 0.7414 0.0151 0.0634 0.6382 0.7325 -0.0936 -0.5316 -0.4401 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0.8419 -4.5631 0.3408 0.1463 0.0876 0.5568 0.0653 0.1541 0.8863 1.0284 -0.1180 -0.5449 -0.3857 -0.0931 -0.0722 0.0000 224.3828 T0287.try7-opt1-scwrl.pdb.gz 199 0.5741 1.7340 1.8398 3.1910 3.0809 3.4691 3.6545 0.6682 -3.8010 0.3933 0.1467 0.0868 0.5325 0.0603 0.1772 1.2176 1.4282 -0.1190 -0.5335 -0.4033 -0.0974 -0.0642 0.0000 225.7325 robetta-model1.pdb.gz 199 0.5089 1.6996 1.6906 4.0760 4.6721 4.5764 4.5313 50.3911 216996.5798 0.1650 0.1381 -0.0785 0.0762 0.1005 0.1950 0.9676 1.0408 -0.1154 -0.2901 -0.2901 -0.0437 -0.0319 669.0000 218056.4324 robetta-model2.pdb.gz 199 0.5200 1.7894 1.8200 4.2174 4.8493 4.6973 4.6966 55.6091 412413.0179 0.1519 0.1175 -0.0669 0.0209 0.0201 0.1160 1.0822 1.1617 -0.1066 -0.2603 -0.2603 -0.0377 -0.0255 669.0000 413489.8379 robetta-model4.pdb.gz 199 0.4828 1.7255 1.7508 3.9678 4.5752 4.4592 4.5333 55.6571 416324.5779 0.0886 0.2135 -0.0510 0.0311 0.0302 0.2228 1.0330 1.1166 -0.1272 -0.3377 -0.3377 -0.0471 -0.0390 669.0000 417389.1167 robetta-model5.pdb.gz 199 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