# 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) + 15 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 5 * sidechain + 20 * n_ca_c + 20 * bad_peptide + 5 * bystroff + 60 * soft_clashes + 2 * backbone_clashes + 150 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 5 * hbond_geom + 10 * hbond_geom_backbone + 20 * hbond_geom_beta + 50 * 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 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 T0386.try10-opt2.pdb.gz 299 0.5545 1.7290 1.7906 2.9741 2.9657 3.3347 3.5128 0.7776 -4.5529 0.3387 0.2011 -0.1451 0.0352 0.0134 0.0357 0.4625 0.4471 0.4314 -0.5754 -0.4215 -0.0853 -0.0662 0.0000 214.0555 T0386.try10-opt1.pdb.gz 299 0.5561 1.7277 1.7932 2.9832 2.9768 3.3433 3.5143 0.7719 -4.4558 0.3514 0.2158 -0.1308 0.0369 0.0201 0.0341 0.4908 0.4716 0.4597 -0.5717 -0.4224 -0.0850 -0.0664 0.0000 215.8193 T0386.try10-opt2.repack-nonPC.pdb.gz 299 0.5619 1.7290 1.7906 3.0379 3.0110 3.3562 3.5176 0.7781 -4.5263 0.3387 0.2011 -0.1451 0.0370 0.0134 0.0357 0.4625 0.4471 0.4314 -0.5649 -0.4215 -0.0853 -0.0662 0.0000 217.2124 T0386.try12-opt2.pdb.gz 299 0.5381 1.6933 1.7264 3.0036 2.9893 3.3381 3.5521 0.7491 -4.7345 0.5868 0.1228 -0.1834 0.1042 0.0401 0.0277 0.2873 0.3112 0.2958 -0.5859 -0.4660 -0.0966 -0.0842 0.0000 217.4436 T0386.try13-opt2.pdb.gz 299 0.5534 1.7270 1.8203 2.9352 2.9645 3.4223 3.6280 0.8843 -5.5633 0.4805 0.1213 -0.1007 0.1348 0.0635 0.0361 0.1817 0.1504 0.1342 -0.6373 -0.4839 -0.0198 -0.0113 0.0000 219.3862 T0386.try12-opt1.pdb.gz 299 0.5372 1.6924 1.7272 3.0258 3.0067 3.3434 3.5541 0.7868 -4.7866 0.6088 0.1278 -0.1843 0.1269 0.0468 0.0290 0.2962 0.3157 0.2991 -0.5963 -0.4651 -0.0964 -0.0836 0.0000 220.3536 T0386.try13-opt2.repack-nonPC.pdb.gz 299 0.5512 1.7270 1.8203 2.9626 2.9833 3.4470 3.6358 0.8954 -5.5932 0.4805 0.1213 -0.1007 0.1374 0.0635 0.0361 0.1817 0.1504 0.1342 -0.6406 -0.4839 -0.0198 -0.0113 0.0000 220.7952 T0386.try9-opt2.pdb.gz 299 0.5529 1.7203 1.8050 2.9729 2.9707 3.3447 3.5120 0.7985 -4.8116 0.5515 0.1861 -0.1547 0.0705 0.0535 0.0595 0.3123 0.2764 0.3043 -0.5868 -0.4437 -0.0934 -0.0729 0.0000 221.0487 T0386.try6-opt2.pdb.gz 299 0.5391 1.6929 1.7289 3.0252 3.0201 3.3402 3.5536 0.7764 -4.7586 0.6018 0.1296 -0.1786 0.1343 0.0468 0.0317 0.2664 0.2899 0.2693 -0.5975 -0.4629 -0.0964 -0.0835 0.0000 221.4122 T0386.try12-opt2.repack-nonPC.pdb.gz 299 0.5359 1.6933 1.7264 3.0764 3.0890 3.3809 3.5679 0.8052 -4.4379 0.5868 0.1228 -0.1834 0.0688 0.0401 0.0277 0.2873 0.3112 0.2958 -0.5882 -0.4660 -0.0966 -0.0842 0.0000 221.5406 T0386.try12-opt2.gromacs0.pdb.gz 299 0.5383 1.6828 1.7453 3.0448 3.0255 3.3493 3.5520 0.7488 -3.5911 0.2825 0.2424 -0.0936 0.0295 0.0100 0.0320 0.8247 0.9333 0.8965 -0.5795 -0.4522 -0.0911 -0.0810 0.0000 221.9278 T0386.try6-opt2.repack-nonPC.pdb.gz 299 0.5345 1.6929 1.7289 3.0714 3.0839 3.3769 3.5687 0.8298 -4.5433 0.6018 0.1296 -0.1786 0.0722 0.0468 0.0317 0.2664 0.2899 0.2693 -0.5893 -0.4629 -0.0964 -0.0835 0.0000 221.9866 T0386.try10-opt2.gromacs0.pdb.gz 299 0.5516 1.7446 1.7994 2.9911 2.9904 3.3381 3.5143 0.7767 -3.5959 0.3004 0.2707 -0.1159 0.0176 0.0067 0.0302 0.9770 1.0550 1.0490 -0.5716 -0.4126 -0.0836 -0.0650 0.0000 222.4823 T0386.try13-opt1.pdb.gz 299 0.5561 1.7395 1.8247 2.9595 2.9939 3.4443 3.6389 0.8843 -5.5606 0.4753 0.1294 -0.0962 0.1526 0.0769 0.0398 0.1810 0.1488 0.1335 -0.6276 -0.4852 -0.0204 -0.0113 0.0000 222.8824 T0386.try4-opt2.pdb.gz 299 0.5389 1.7522 1.8077 2.9133 2.9766 3.4423 3.6379 1.0083 -5.4966 0.4727 0.1371 -0.1071 0.1573 0.0769 0.0465 0.1422 0.1009 0.0838 -0.6336 -0.4807 -0.0169 -0.0104 0.0000 222.9709 T0386.try10-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5585 1.7446 1.7994 3.0407 3.0283 3.3730 3.5189 0.7796 -3.7060 0.3004 0.2707 -0.1159 0.0200 0.0067 0.0302 0.9770 1.0550 1.0490 -0.5481 -0.4126 -0.0836 -0.0650 0.0000 224.7893 T0386.try9-opt2.repack-nonPC.pdb.gz 299 0.5595 1.7203 1.8050 3.0618 3.0195 3.3651 3.5216 0.7960 -4.5927 0.5515 0.1861 -0.1547 0.0569 0.0535 0.0595 0.3123 0.2764 0.3043 -0.5720 -0.4437 -0.0934 -0.0729 0.0000 224.8487 T0386.try4-opt2.repack-nonPC.pdb.gz 299 0.5543 1.7522 1.8077 2.9911 3.0125 3.4611 3.6469 0.9778 -5.5974 0.4727 0.1371 -0.1071 0.1474 0.0769 0.0465 0.1422 0.1009 0.0838 -0.6214 -0.4807 -0.0169 -0.0104 0.0000 224.8816 T0386.try6-opt2.gromacs0.pdb.gz 299 0.5393 1.6941 1.7407 3.0592 3.0456 3.3534 3.5541 0.7759 -3.5536 0.2892 0.2504 -0.1000 0.0362 0.0134 0.0391 0.8277 0.9282 0.8943 -0.5781 -0.4395 -0.0892 -0.0789 0.0000 225.0781 T0386.try12-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5393 1.6828 1.7453 3.0869 3.0880 3.3868 3.5647 0.7762 -3.6017 0.2825 0.2424 -0.0936 0.0384 0.0100 0.0320 0.8247 0.9333 0.8965 -0.5805 -0.4522 -0.0911 -0.0810 0.0000 225.5064 T0386.try14-opt2.pdb.gz 299 0.5173 1.6800 1.7309 2.9986 3.0981 3.5033 3.6539 1.8843 -4.9249 0.2859 0.1388 -0.0691 0.1225 0.0435 0.0494 0.2200 0.2309 0.2505 -0.5230 -0.4229 -0.0631 -0.0576 0.0000 225.6047 T0386.try13-opt2.gromacs0.pdb.gz 299 0.5567 1.7535 1.8269 2.9533 2.9818 3.4262 3.6269 0.8824 -4.4413 0.3990 0.2419 -0.0638 0.0346 0.0334 0.0443 0.7225 0.7245 0.7102 -0.6453 -0.4779 -0.0198 -0.0094 0.0000 225.6879 T0386.try9-opt2.gromacs0.pdb.gz 299 0.5557 1.7537 1.8055 2.9935 2.9875 3.3543 3.5149 0.7980 -3.7385 0.3297 0.2618 -0.1135 0.0256 0.0167 0.0509 0.9867 1.0560 1.0550 -0.5767 -0.4241 -0.0890 -0.0685 0.0000 225.8065 T0386.try6-opt1.pdb.gz 299 0.5461 1.6948 1.7369 3.0378 3.0382 3.3880 3.5786 0.8842 -4.5669 0.6346 0.1300 -0.1586 0.1552 0.0535 0.0279 0.3631 0.3864 0.3650 -0.5795 -0.4533 -0.0928 -0.0830 0.0000 226.6065 T0386.try13-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5556 1.7535 1.8269 2.9705 3.0063 3.4549 3.6339 0.8917 -4.5811 0.3990 0.2419 -0.0638 0.0412 0.0334 0.0443 0.7225 0.7245 0.7102 -0.6480 -0.4779 -0.0198 -0.0094 0.0000 226.7918 T0386.try9-opt1.pdb.gz 299 0.5583 1.7329 1.8004 3.0071 3.0099 3.3877 3.5301 0.9875 -4.7711 0.5525 0.2013 -0.1500 0.0886 0.0435 0.0596 0.4157 0.3995 0.4322 -0.5543 -0.4311 -0.0880 -0.0704 0.0000 226.8113 T0386.try14-opt2.repack-nonPC.pdb.gz 299 0.5195 1.6800 1.7309 3.0641 3.1482 3.5382 3.6692 1.9038 -5.0459 0.2859 0.1388 -0.0691 0.1018 0.0435 0.0494 0.2200 0.2309 0.2505 -0.5182 -0.4229 -0.0631 -0.0576 0.0000 227.0195 T0386.try6-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5383 1.6941 1.7407 3.0776 3.0836 3.3916 3.5737 0.8240 -3.5076 0.2892 0.2504 -0.1000 0.0326 0.0134 0.0391 0.8277 0.9282 0.8943 -0.5528 -0.4395 -0.0892 -0.0789 0.0000 227.2873 T0386.try9-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5602 1.7537 1.8055 3.0446 3.0304 3.3659 3.5144 0.8093 -3.7898 0.3297 0.2618 -0.1135 0.0242 0.0167 0.0509 0.9867 1.0560 1.0550 -0.5692 -0.4241 -0.0890 -0.0685 0.0000 227.8624 T0386.try11-opt2.gromacs0.pdb.gz 299 0.5576 1.7295 1.7744 3.0188 3.0145 3.3543 3.5731 1.0417 -3.5587 0.3226 0.2387 -0.0999 0.0633 0.0301 0.0393 0.8166 0.9239 0.9197 -0.5732 -0.4396 -0.0800 -0.0631 0.0000 227.8745 T0386.try11-opt2.repack-nonPC.pdb.gz 299 0.5580 1.7108 1.7632 3.0846 3.0497 3.3953 3.5936 1.0603 -4.6671 0.6063 0.1393 -0.1161 0.1247 0.0736 0.0456 0.1057 0.0760 0.0870 -0.5887 -0.4651 -0.0878 -0.0664 0.0000 228.0253 T0386.try11-opt2.pdb.gz 299 0.5552 1.7108 1.7632 3.0002 2.9976 3.3492 3.5731 1.0418 -4.8823 0.6063 0.1393 -0.1161 0.2142 0.0736 0.0456 0.1057 0.0760 0.0870 -0.5904 -0.4651 -0.0878 -0.0664 0.0000 228.4450 T0386.try4-opt1.pdb.gz 299 0.5402 1.7543 1.8091 2.9487 3.0036 3.4548 3.6399 1.0074 -5.5352 0.4929 0.1425 -0.0935 0.2142 0.0769 0.0479 0.1915 0.1692 0.1739 -0.6283 -0.4815 -0.0173 -0.0105 0.0000 229.0221 T0386.try14-opt2.gromacs0.pdb.gz 299 0.5162 1.6844 1.7392 3.0340 3.1104 3.5176 3.6542 1.8842 -3.8667 0.3162 0.2297 -0.1109 0.0311 0.0234 0.0346 0.6661 0.7359 0.7406 -0.5280 -0.4155 -0.0607 -0.0557 0.0000 229.7239 T0386.try4-opt2.gromacs0.pdb.gz 299 0.5368 1.7626 1.8061 2.9461 2.9880 3.4549 3.6379 1.0066 -4.3469 0.4387 0.2512 -0.0750 0.0411 0.0368 0.0545 0.7161 0.7175 0.7055 -0.6176 -0.4617 -0.0165 -0.0084 0.0000 229.7698 T0386.try11-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5523 1.7295 1.7744 3.0995 3.0841 3.3921 3.5859 1.0672 -3.5560 0.3226 0.2387 -0.0999 0.0343 0.0301 0.0393 0.8166 0.9239 0.9197 -0.5452 -0.4396 -0.0800 -0.0631 0.0000 230.2481 T0386.try4-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5458 1.7626 1.8061 2.9725 3.0249 3.4755 3.6395 0.9920 -4.5350 0.4387 0.2512 -0.0750 0.0389 0.0368 0.0545 0.7161 0.7175 0.7055 -0.6035 -0.4617 -0.0165 -0.0084 0.0000 230.6392 T0386.try14-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5154 1.6844 1.7392 3.0984 3.1512 3.5501 3.6737 1.9232 -4.1432 0.3162 0.2297 -0.1109 0.0261 0.0234 0.0346 0.6661 0.7359 0.7406 -0.5167 -0.4155 -0.0607 -0.0557 0.0000 231.0554 T0386.try14-opt1.pdb.gz 299 0.5147 1.6908 1.7351 3.0180 3.1094 3.5206 3.6826 2.1294 -4.8359 0.3152 0.1462 -0.0671 0.1561 0.0435 0.0543 0.2648 0.2806 0.2999 -0.5225 -0.4245 -0.0650 -0.0589 0.0000 231.3284 T0386.try7-opt2.pdb.gz 299 0.5186 1.6436 1.7094 3.0706 3.0740 3.4679 3.6483 1.6671 -4.8893 0.6842 0.1229 -0.1910 0.1759 0.0769 0.0288 0.2491 0.3164 0.2935 -0.5424 -0.4166 -0.0646 -0.0589 0.0000 232.7769 T0386.try7-opt2.gromacs0.pdb.gz 299 0.5156 1.6683 1.7085 3.1077 3.1014 3.4766 3.6480 1.6672 -3.6689 0.2848 0.2356 -0.1233 0.0452 0.0301 0.0381 0.8350 0.9704 0.9383 -0.5352 -0.4007 -0.0589 -0.0553 0.0000 232.8316 T0386.try7-opt2.repack-nonPC.pdb.gz 299 0.5195 1.6436 1.7094 3.1262 3.1302 3.4927 3.6622 1.6706 -4.6733 0.6842 0.1229 -0.1910 0.1318 0.0769 0.0288 0.2491 0.3164 0.2935 -0.5384 -0.4166 -0.0646 -0.0589 0.0000 234.2050 T0386.try11-opt1.pdb.gz 299 0.5496 1.7068 1.7517 3.0450 3.0546 3.4107 3.6050 1.3315 -4.7024 0.6072 0.1312 -0.1350 0.2288 0.0635 0.0397 0.2447 0.2616 0.2557 -0.5783 -0.4570 -0.0803 -0.0657 0.0000 234.2062 T0386.try7-opt2.gromacs0.repack-nonPC.pdb.gz 299 0.5137 1.6683 1.7085 3.1142 3.1345 3.5054 3.6567 1.6566 -3.5911 0.2848 0.2356 -0.1233 0.0453 0.0301 0.0381 0.8350 0.9704 0.9383 -0.5173 -0.4007 -0.0589 -0.0553 0.0000 234.6952 T0386.try7-opt1.pdb.gz 299 0.5205 1.6372 1.7121 3.0791 3.1092 3.5036 3.6712 1.8093 -4.7465 0.6885 0.1227 -0.1870 0.1982 0.0702 0.0253 0.3100 0.3824 0.3592 -0.5254 -0.4127 -0.0636 -0.0581 0.0000 236.9451 T0386.try8-opt2.repack-nonPC.pdb.gz 299 0.5457 1.7028 1.7677 3.1117 3.1171 3.5566 3.7523 1.5129 -4.6536 0.3512 0.1515 -0.0164 0.1667 0.0100 0.0516 0.3679 0.4244 0.4205 -0.5692 -0.4377 -0.0596 -0.0446 0.0000 237.0872 T0386.try3-opt2.repack-nonPC.pdb.gz 299 0.5686 1.7714 1.7984 3.0705 3.0622 3.4489 3.5880 0.8997 -5.1906 0.2797 0.1882 -0.0981 0.1701 0.0736 0.1015 0.1593 0.1593 0.1655 -0.5570 -0.3968 -0.0187 -0.0119 0.0000 237.5608 T0386.try15-opt1.pdb 299 0.5267 1.6834 1.7365 3.0234 3.0742 3.4356 3.5670 1.9854 -4.6241 0.3315 0.1812 -0.0837 0.2254 0.0836 0.0750 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