# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 20 * dry5(5) + 35 * dry6.5(6.5) + 20 * dry8(8) + 5 * dry12(12) + 0.3 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 30 * soft_clashes + 2 * backbone_clashes + 100 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 15 * 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 T0385.try13-opt2.pdb.gz 162 0.5488 1.6248 1.6880 2.8894 3.0374 3.3724 3.6175 1.8443 -6.7302 0.2515 0.1319 -0.0615 0.1396 0.0185 0.0298 -0.2673 -0.2571 -0.2473 -0.5005 -0.7002 -0.5670 -0.0056 0.0000 0.0000 232.2964 T0385.try8-opt2.pdb.gz 162 0.5847 1.7646 1.7511 2.9025 2.9647 3.2685 3.5104 1.0143 -6.8743 0.1951 0.0859 -0.0999 0.2553 0.0494 0.0285 -0.1263 -0.1668 -0.1594 -0.1672 -0.7437 -0.6062 -0.0267 -0.0120 0.0000 233.2377 T0385.try9-opt2.pdb.gz 162 0.6012 1.7726 1.7740 2.8924 2.9724 3.3195 3.5521 0.8383 -6.5659 0.1790 0.0919 -0.0592 0.2721 0.0556 0.0423 -0.1438 -0.1470 -0.1237 -0.4974 -0.7398 -0.5906 -0.0308 -0.0120 0.0000 233.5964 T0385.try14-opt2.pdb.gz 162 0.5720 1.6763 1.7387 2.9138 3.0600 3.3797 3.6234 1.2930 -6.3753 0.2859 0.0931 -0.1327 0.1823 0.0370 0.0142 -0.1687 -0.1276 -0.1345 -0.6077 -0.6509 -0.5128 -0.0080 0.0000 0.0000 235.1484 T0385.try11-opt2.pdb.gz 162 0.5539 1.6062 1.6383 2.8404 2.9590 3.3438 3.5811 1.8887 -6.9013 0.1466 0.1283 -0.1715 0.1911 0.0247 0.0426 -0.1900 -0.2143 -0.2447 -0.0404 -0.7160 -0.5808 -0.0067 0.0000 0.0000 235.3244 T0385.try8-opt2.repack-nonPC.pdb.gz 162 0.5775 1.7646 1.7511 2.9523 3.0224 3.2852 3.5169 0.9972 -6.7868 0.1951 0.0859 -0.0999 0.2123 0.0494 0.0285 -0.1263 -0.1668 -0.1594 -0.1619 -0.7351 -0.6062 -0.0267 -0.0120 0.0000 235.7758 T0385.try13-opt2.repack-nonPC.pdb.gz 162 0.5596 1.6248 1.6880 2.9300 3.0683 3.3933 3.6269 1.8655 -6.4308 0.2515 0.1319 -0.0615 0.1251 0.0185 0.0298 -0.2673 -0.2571 -0.2473 -0.5039 -0.6933 -0.5670 -0.0056 0.0000 0.0000 235.8673 T0385.try6-opt2.pdb.gz 162 0.5751 1.7944 1.7817 2.9097 3.0000 3.2859 3.5455 0.9230 -6.7815 0.1944 0.0828 -0.0679 0.2043 0.0309 0.0246 -0.0858 -0.0817 -0.0647 -0.0639 -0.6879 -0.5441 -0.0212 -0.0120 0.0000 237.0554 T0385.try9-opt2.repack-nonPC.pdb.gz 162 0.6002 1.7726 1.7740 2.9992 3.0293 3.3761 3.5664 0.8903 -6.4190 0.1790 0.0919 -0.0592 0.2009 0.0556 0.0423 -0.1438 -0.1470 -0.1237 -0.4958 -0.7174 -0.5906 -0.0308 -0.0120 0.0000 237.6597 T0385.try3-opt2.pdb.gz 162 0.5903 1.7738 1.7614 2.9289 2.9635 3.2623 3.5305 0.8695 -6.6709 0.1860 0.0942 -0.0675 0.2201 0.0000 0.0459 -0.1179 -0.1808 -0.1650 -0.0659 -0.6947 -0.5664 -0.0176 -0.0108 0.0000 238.3466 T0385.try13-opt2.gromacs0.pdb.gz 162 0.5525 1.6206 1.6913 2.9377 3.0588 3.3745 3.6182 1.8441 -5.8819 0.1916 0.2164 -0.0601 0.0325 0.0185 0.0177 -0.0221 -0.0132 0.0039 -0.3285 -0.6943 -0.5609 -0.0054 0.0000 0.0000 238.6501 T0385.try14-opt2.repack-nonPC.pdb.gz 162 0.5900 1.6763 1.7387 2.9651 3.1317 3.4003 3.6448 1.3852 -6.3451 0.2859 0.0931 -0.1327 0.1472 0.0370 0.0142 -0.1687 -0.1276 -0.1345 -0.6042 -0.6300 -0.5128 -0.0080 0.0000 0.0000 238.7570 T0385.try12-opt2.pdb.gz 162 0.5489 1.6038 1.7124 2.9079 3.0122 3.3727 3.6150 1.5111 -6.6625 0.2447 0.1132 -0.1331 0.1730 0.0185 0.0316 -0.2953 -0.2501 -0.2797 -0.0739 -0.6952 -0.5629 -0.0094 0.0000 0.0000 238.8153 T0385.try13-opt2.gromacs0.repack-nonPC.pdb.gz 162 0.5601 1.6206 1.6913 2.9513 3.0853 3.3976 3.6264 1.8623 -5.8950 0.1916 0.2164 -0.0601 0.0351 0.0185 0.0177 -0.0221 -0.0132 0.0039 -0.3320 -0.6930 -0.5609 -0.0054 0.0000 0.0000 240.4379 T0385.try7-opt2.pdb.gz 162 0.5821 1.7330 1.7429 2.9498 3.0155 3.3003 3.5413 1.0025 -6.7161 0.1762 0.0802 -0.0344 0.2520 0.0309 0.0379 0.0315 0.0194 0.0450 -0.0484 -0.7492 -0.6098 -0.0314 -0.0121 0.0000 240.8485 T0385.try14-opt2.gromacs0.pdb.gz 162 0.5752 1.6803 1.7387 2.9498 3.0880 3.3912 3.6241 1.2969 -5.3965 0.1969 0.2206 -0.0810 0.0382 0.0123 0.0223 0.0560 0.0814 0.0666 -0.5535 -0.6680 -0.5138 -0.0075 0.0000 0.0000 241.5859 T0385.try6-opt2.repack-nonPC.pdb.gz 162 0.5724 1.7944 1.7817 2.9861 3.0629 3.3359 3.5557 0.9724 -6.5656 0.1944 0.0828 -0.0679 0.1598 0.0309 0.0246 -0.0858 -0.0817 -0.0647 -0.0592 -0.6594 -0.5441 -0.0212 -0.0120 0.0000 241.7695 T0385.try11-opt2.gromacs0.pdb.gz 162 0.5605 1.6253 1.6482 2.8643 2.9843 3.3470 3.5833 1.8926 -5.8415 0.2165 0.2104 -0.1178 0.0585 0.0247 0.0426 0.1846 0.0864 0.0974 -0.0404 -0.7277 -0.5781 -0.0061 0.0000 0.0000 241.7918 T0385.try3-opt2.repack-nonPC.pdb.gz 162 0.5920 1.7738 1.7614 2.9833 3.0105 3.2983 3.5385 0.8721 -6.5691 0.1860 0.0942 -0.0675 0.2102 0.0000 0.0459 -0.1179 -0.1808 -0.1650 -0.0616 -0.6705 -0.5664 -0.0176 -0.0108 0.0000 242.2626 T0385.try13-opt1.pdb.gz 162 0.5555 1.6171 1.6963 2.9588 3.0913 3.4073 3.6330 1.8447 -6.6086 0.3818 0.1474 -0.0854 0.2541 0.0370 0.0291 -0.1908 -0.1616 -0.1503 -0.4931 -0.6577 -0.5369 -0.0057 0.0000 0.0000 242.3107 T0385.try11-opt1.pdb.gz 162 0.5620 1.6587 1.6554 2.8763 2.9994 3.3710 3.5918 1.9241 -6.7607 0.1424 0.1507 -0.1409 0.2381 0.0432 0.0413 -0.0295 -0.0802 -0.0889 -0.0311 -0.6778 -0.5619 -0.0060 0.0000 0.0000 242.3608 T0385.try8-opt1.pdb.gz 162 0.5834 1.7534 1.7657 2.9463 3.0026 3.2926 3.5205 1.0115 -6.6157 0.1961 0.0863 -0.0967 0.3617 0.0432 0.0318 -0.0577 -0.0733 -0.0582 -0.1277 -0.6961 -0.5767 -0.0231 -0.0117 0.0000 242.6534 T0385.try8-opt2.gromacs0.pdb.gz 162 0.5876 1.7626 1.7461 2.9428 2.9788 3.2840 3.5130 1.0132 -5.7234 0.3423 0.2462 -0.0711 0.0590 0.0679 0.0553 0.1814 0.1376 0.1686 -0.1418 -0.7310 -0.5850 -0.0225 -0.0107 0.0000 242.8079 T0385.try12-opt2.repack-nonPC.pdb.gz 162 0.5673 1.6038 1.7124 2.9699 3.0942 3.4114 3.6429 1.5882 -6.5712 0.2447 0.1132 -0.1331 0.1196 0.0185 0.0316 -0.2953 -0.2501 -0.2797 -0.0722 -0.7100 -0.5629 -0.0094 0.0000 0.0000 242.9424 T0385.try9-opt2.gromacs0.pdb.gz 162 0.6120 1.7680 1.7684 2.9172 2.9926 3.3294 3.5546 0.8406 -5.1783 0.1878 0.2473 0.0093 0.0552 0.0370 0.0578 0.3690 0.3275 0.3629 -0.4490 -0.7383 -0.5657 -0.0282 -0.0118 0.0000 243.0835 T0385.try14-opt2.gromacs0.repack-nonPC.pdb.gz 162 0.6000 1.6803 1.7387 2.9711 3.1308 3.4073 3.6402 1.3600 -5.5398 0.1969 0.2206 -0.0810 0.0292 0.0123 0.0223 0.0560 0.0814 0.0666 -0.5529 -0.6541 -0.5138 -0.0075 0.0000 0.0000 243.3960 T0385.try8-opt2.gromacs0.repack-nonPC.pdb.gz 162 0.5826 1.7626 1.7461 2.9609 3.0325 3.2921 3.5196 0.9835 -5.8880 0.3423 0.2462 -0.0711 0.0572 0.0679 0.0553 0.1814 0.1376 0.1686 -0.1405 -0.7354 -0.5850 -0.0225 -0.0107 0.0000 244.2821 T0385.try6-opt1.pdb.gz 162 0.5793 1.7930 1.7878 2.9354 3.0408 3.3076 3.5507 0.9376 -6.4912 0.2054 0.0765 -0.0543 0.2744 0.0370 0.0180 0.1757 0.1658 0.1808 -0.0612 -0.6819 -0.5346 -0.0197 -0.0117 0.0000 244.2962 T0385.try6-opt2.gromacs0.pdb.gz 162 0.5747 1.8105 1.7794 2.9443 3.0168 3.2993 3.5484 0.9258 -5.5934 0.2259 0.2277 -0.0050 0.0496 0.0309 0.0240 0.3715 0.3458 0.3701 -0.0555 -0.6804 -0.5212 -0.0213 -0.0115 0.0000 244.9262 T0385.try14-opt1.pdb.gz 162 0.5803 1.6809 1.7327 2.9616 3.1301 3.4226 3.6406 1.1513 -6.0701 0.3097 0.1059 -0.1193 0.2751 0.0556 0.0088 -0.0489 -0.0073 -0.0168 -0.5967 -0.6104 -0.4823 -0.0084 0.0000 0.0000 245.0720 T0385.try9-opt1.pdb.gz 162 0.6016 1.7737 1.7717 2.9479 3.0333 3.3397 3.5641 0.8386 -6.2515 0.1811 0.0884 -0.0370 0.4039 0.0432 0.0439 0.0556 0.0370 0.0691 -0.4770 -0.7080 -0.5680 -0.0251 -0.0116 0.0000 245.2137 T0385.try12-opt2.gromacs0.pdb.gz 162 0.5589 1.6073 1.7050 2.9486 3.0285 3.3805 3.6150 1.5109 -5.6634 0.3195 0.2173 -0.1232 0.0548 0.0185 0.0274 0.0109 0.0445 0.0302 -0.0387 -0.6960 -0.5550 -0.0094 0.0000 0.0000 245.4061 T0385.try13-opt1-scwrl.pdb.gz 162 0.5629 1.6171 1.6963 2.9788 3.1316 3.4159 3.6343 1.8247 -6.6582 0.3818 0.1474 -0.0854 0.2985 0.0370 0.0291 -0.1908 -0.1616 -0.1503 -0.4956 -0.6468 -0.5369 -0.0057 0.0000 0.0000 245.5054 T0385.try11-opt1-scwrl.pdb.gz 162 0.5685 1.6587 1.6554 2.8989 3.0513 3.4145 3.6210 1.9479 -7.0473 0.1424 0.1507 -0.1409 0.2780 0.0432 0.0413 -0.0295 -0.0802 -0.0889 -0.0296 -0.6739 -0.5619 -0.0060 0.0000 0.0000 245.5550 T0385.try7-opt2.repack-nonPC.pdb.gz 162 0.5846 1.7330 1.7429 3.0152 3.0543 3.3431 3.5564 1.0076 -6.2672 0.1762 0.0802 -0.0344 0.2107 0.0309 0.0379 0.0315 0.0194 0.0450 -0.0451 -0.7260 -0.6098 -0.0314 -0.0121 0.0000 245.6600 T0385.try9-opt1-scwrl.pdb.gz 162 0.6032 1.7737 1.7717 2.9866 3.0593 3.3758 3.5852 0.9186 -6.5189 0.1811 0.0884 -0.0370 0.3824 0.0432 0.0439 0.0556 0.0370 0.0691 -0.4693 -0.6859 -0.5680 -0.0251 -0.0116 0.0000 246.0182 T0385.try5-opt2.pdb.gz 162 0.5805 1.6354 1.6771 2.9032 3.0807 3.3961 3.5733 1.0092 -6.9697 0.2263 0.1052 -0.0992 0.1873 0.0617 0.0512 -0.2349 -0.1916 -0.1702 0.1831 -0.7230 -0.5736 -0.0096 0.0000 0.0000 246.6718 T0385.try9-opt2.gromacs0.repack-nonPC.pdb.gz 162 0.6109 1.7680 1.7684 2.9669 3.0568 3.3803 3.5725 0.9070 -5.3007 0.1878 0.2473 0.0093 0.0413 0.0370 0.0578 0.3690 0.3275 0.3629 -0.4467 -0.6896 -0.5657 -0.0282 -0.0118 0.0000 246.6837 T0385.try5-opt2.repack-nonPC.pdb.gz 162 0.5797 1.6354 1.6771 2.9348 3.1029 3.4115 3.5755 0.9977 -6.9583 0.2263 0.1052 -0.0992 0.1393 0.0617 0.0512 -0.2349 -0.1916 -0.1702 0.1855 -0.7086 -0.5736 -0.0096 0.0000 0.0000 247.1091 T0385.try3-opt2.gromacs0.pdb.gz 162 0.5919 1.8017 1.7812 2.9547 2.9909 3.2828 3.5288 0.8742 -5.4356 0.3309 0.2277 -0.0458 0.0704 0.0309 0.0370 0.4186 0.3750 0.3984 -0.0580 -0.6797 -0.5424 -0.0173 -0.0116 0.0000 247.2018 T0385.try7-opt2.gromacs0.pdb.gz 162 0.5860 1.7406 1.7496 2.9800 3.0423 3.3040 3.5406 1.0024 -5.6786 0.2617 0.2437 -0.0407 0.0662 0.0432 0.0415 0.2964 0.2712 0.3014 -0.0352 -0.7171 -0.5617 -0.0223 -0.0117 0.0000 247.4960 T0385.try14-opt1-scwrl.pdb.gz 162 0.5928 1.6809 1.7327 2.9930 3.1501 3.4555 3.6585 1.1693 -6.4387 0.3097 0.1059 -0.1193 0.3417 0.0556 0.0088 -0.0489 -0.0073 -0.0168 -0.5959 -0.5894 -0.4823 -0.0084 0.0000 0.0000 247.6126 T0385.try11-opt2.gromacs0.repack-nonPC.pdb.gz 162 0.5597 1.6073 1.7050 2.9864 3.0995 3.3989 3.6346 1.4949 -5.8006 0.3195 0.2173 -0.1232 0.0417 0.0185 0.0274 0.0109 0.0445 0.0302 -0.0384 -0.7080 -0.5550 -0.0094 0.0000 0.0000 247.9843 T0385.try3-opt2.gromacs0.repack-nonPC.pdb.gz 162 0.5975 1.8017 1.7812 2.9775 3.0374 3.2872 3.5375 0.8922 -5.7337 0.3309 0.2277 -0.0458 0.0690 0.0309 0.0370 0.4186 0.3750 0.3984 -0.0577 -0.6694 -0.5424 -0.0173 -0.0116 0.0000 248.0289 T0385.try3-opt1.pdb.gz 162 0.5942 1.7492 1.7628 3.0386 3.0279 3.2725 3.5438 0.8576 -6.5252 0.1876 0.0922 -0.0334 0.3093 0.0062 0.0474 -0.0094 -0.0566 -0.0328 -0.0452 -0.6784 -0.5416 -0.0175 -0.0114 0.0000 248.0455 T0385.try7-opt1.pdb.gz 162 0.5865 1.7250 1.7574 3.0232 3.0305 3.3191 3.5486 1.0064 -6.4487 0.1722 0.0780 -0.0349 0.3425 0.0370 0.0380 0.0790 0.0561 0.0870 -0.0464 -0.7037 -0.5823 -0.0268 -0.0119 0.0000 248.4227 T0385.try2-opt2.pdb.gz 162 0.5744 1.7955 1.7644 2.9229 3.0195 3.3111 3.5846 1.1050 -6.9553 0.1570 0.1289 -0.0833 0.2560 0.0247 0.1549 -0.4362 -0.4345 -0.4334 -0.1433 -0.7251 -0.5785 -0.0185 -0.0118 0.0000 248.8644 T0385.try8-opt1-scwrl.pdb.gz 162 0.5753 1.7534 1.7657 3.0311 3.0600 3.3282 3.5389 0.9998 -6.7969 0.1961 0.0863 -0.0967 0.4556 0.0432 0.0318 -0.0577 -0.0733 -0.0582 -0.1282 -0.7000 -0.5767 -0.0231 -0.0117 0.0000 248.9221 T0385.try12-opt1.pdb.gz 162 0.5574 1.6121 1.6975 2.9641 3.1029 3.4260 3.6444 1.5582 -6.4279 0.3661 0.1244 -0.1127 0.2241 0.0247 0.0321 -0.1775 -0.1529 -0.1681 -0.0640 -0.6907 -0.5592 -0.0081 0.0000 0.0000 248.9443 T0385.try6-opt2.gromacs0.repack-nonPC.pdb.gz 162 0.5734 1.8105 1.7794 2.9831 3.0755 3.3465 3.5621 0.8899 -5.5424 0.2259 0.2277 -0.0050 0.0455 0.0309 0.0240 0.3715 0.3458 0.3701 -0.0574 -0.6474 -0.5212 -0.0213 -0.0115 0.0000 249.0058 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