# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 25 * dry5(5) + 30 * dry6.5(6.5) + 25 * dry8(8) + 6 * dry12(12) + 2 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 150 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 30 * 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 T0369.try19-opt2.pdb.gz 148 0.5901 1.6246 1.6661 2.9471 2.9766 3.2801 3.5543 0.5918 -6.1671 0.1885 0.1448 -0.0145 0.1528 0.0338 0.0302 -0.1801 -0.1868 -0.2096 -0.6037 -0.7310 -0.5745 -0.0451 -0.0380 0.0000 237.2064 T0369.try19-opt1.pdb.gz 148 0.5919 1.6330 1.6775 2.9694 3.0007 3.2913 3.5583 0.5946 -6.1542 0.1925 0.1450 -0.0028 0.1766 0.0203 0.0336 -0.1831 -0.1890 -0.2121 -0.6022 -0.7259 -0.5693 -0.0428 -0.0369 0.0000 240.3699 T0369.try18-opt2.pdb.gz 148 0.5855 1.6205 1.6683 2.9967 3.0100 3.3194 3.5660 0.6688 -5.9798 0.2013 0.1402 -0.0028 0.0809 0.0135 0.0324 -0.1891 -0.1878 -0.2136 -0.5995 -0.7345 -0.5723 -0.0444 -0.0373 0.0000 240.6394 T0369.try18-opt1.pdb.gz 148 0.5870 1.6363 1.6806 2.9988 3.0144 3.3164 3.5665 0.6349 -6.0154 0.1904 0.1429 -0.0028 0.1339 0.0135 0.0333 -0.1896 -0.1884 -0.2141 -0.6035 -0.7102 -0.5703 -0.0442 -0.0377 0.0000 241.8361 T0369.try16-opt2.pdb.gz 148 0.5751 1.6421 1.6902 2.9922 3.0123 3.3479 3.6020 0.8017 -6.0766 0.2753 0.1306 -0.0569 0.0511 0.0135 0.0285 -0.3534 -0.3702 -0.3973 -0.5252 -0.7237 -0.5617 -0.0387 -0.0369 0.0000 241.8563 T0369.try11-opt2.pdb.gz 148 0.5879 1.6345 1.6777 2.9998 3.0089 3.3071 3.5609 0.6271 -6.0921 0.1927 0.1468 -0.0028 0.1564 0.0203 0.0351 -0.1880 -0.1851 -0.2105 -0.6001 -0.7191 -0.5646 -0.0421 -0.0361 0.0000 242.2042 T0369.try14-opt2.pdb.gz 148 0.5656 1.6416 1.6730 2.9773 3.0231 3.3440 3.5903 0.7985 -6.0440 0.2986 0.1274 -0.0544 0.0448 0.0068 0.0313 -0.3533 -0.3700 -0.3972 -0.5121 -0.7161 -0.5604 -0.0386 -0.0369 0.0000 242.3943 T0369.try17-opt1.pdb 148 0.5655 1.6344 1.6879 2.9652 3.0236 3.3424 3.5882 0.7934 -5.8158 0.3304 0.1225 -0.0618 0.0666 0.0338 0.0254 -0.2553 -0.2699 -0.3103 -0.5260 -0.7233 -0.5604 -0.0383 -0.0365 0.0000 243.0640 T0369.try16-opt1.pdb.gz 148 0.5750 1.6442 1.6841 2.9929 3.0260 3.3532 3.6036 0.8099 -6.0115 0.2981 0.1299 -0.0569 0.0519 0.0135 0.0324 -0.3534 -0.3702 -0.3973 -0.5230 -0.7030 -0.5545 -0.0385 -0.0368 0.0000 243.7141 T0369.try14-opt1.pdb.gz 148 0.5735 1.6429 1.6766 2.9984 3.0247 3.3632 3.6049 0.8145 -6.0268 0.2983 0.1310 -0.0544 0.0583 0.0135 0.0340 -0.3520 -0.3691 -0.3962 -0.5188 -0.6950 -0.5542 -0.0382 -0.0369 0.0000 244.5112 T0369.try13-opt2.pdb.gz 148 0.5714 1.6489 1.6765 2.9939 3.0246 3.3683 3.6050 0.8238 -6.0133 0.2970 0.1365 -0.0570 0.0519 0.0135 0.0396 -0.3627 -0.3798 -0.4027 -0.5152 -0.6878 -0.5580 -0.0385 -0.0372 0.0000 245.3570 T0369.try15-opt2.pdb.gz 148 0.5578 1.6404 1.6619 2.9147 2.9762 3.3318 3.5906 0.7216 -5.9873 0.4205 0.1212 -0.0794 0.0916 0.0000 0.0248 -0.1578 -0.1842 -0.2000 -0.3442 -0.7151 -0.5617 -0.0386 -0.0377 0.0000 245.5504 T0369.try19-opt2.repack-nonPC.pdb.gz 148 0.5822 1.6246 1.6661 3.0656 3.0550 3.3340 3.5724 0.6064 -5.5592 0.1885 0.1448 -0.0145 0.1181 0.0338 0.0302 -0.1801 -0.1868 -0.2096 -0.5948 -0.7400 -0.5745 -0.0451 -0.0380 0.0000 246.4560 T0369.try18-opt1-scwrl.pdb.gz 148 0.5869 1.6363 1.6806 3.0920 3.0441 3.3473 3.5844 0.6584 -6.1943 0.1904 0.1429 -0.0028 0.2420 0.0135 0.0333 -0.1896 -0.1884 -0.2141 -0.5872 -0.6904 -0.5703 -0.0442 -0.0377 0.0000 247.8363 T0369.try19-opt2.gromacs0.pdb.gz 148 0.5918 1.6579 1.7070 2.9974 3.0010 3.2939 3.5604 0.5934 -4.6737 0.2820 0.2219 0.0814 0.0370 0.0203 0.0235 0.1053 0.1494 0.1189 -0.6022 -0.7336 -0.5609 -0.0441 -0.0367 0.0000 248.0635 T0369.try19-opt1-scwrl.pdb.gz 148 0.6009 1.6330 1.6775 3.0947 3.0410 3.3311 3.5829 0.5926 -6.3068 0.1925 0.1450 -0.0028 0.3056 0.0203 0.0336 -0.1831 -0.1890 -0.2121 -0.5895 -0.7020 -0.5693 -0.0428 -0.0369 0.0000 248.3054 T0369.try15-opt1.pdb.gz 148 0.5598 1.6402 1.6518 2.9077 2.9803 3.3411 3.5877 0.7076 -5.8101 0.4506 0.1242 -0.0737 0.1306 0.0068 0.0292 -0.1577 -0.1847 -0.2007 -0.3466 -0.6929 -0.5494 -0.0376 -0.0372 0.0000 248.4687 T0369.try10-opt2.pdb.gz 148 0.5879 1.6554 1.6655 2.9419 2.9906 3.3220 3.5529 0.7633 -6.2335 0.2150 0.1583 -0.0255 0.1849 0.0203 0.0749 -0.3575 -0.3517 -0.3954 -0.5103 -0.6872 -0.5590 -0.0439 -0.0365 0.0000 248.5362 T0369.try13-opt1.pdb.gz 148 0.5748 1.6478 1.6737 3.0045 3.0509 3.3754 3.6057 0.8357 -5.9034 0.2567 0.1514 -0.0453 0.0934 0.0135 0.0473 -0.3416 -0.3549 -0.3799 -0.5169 -0.7006 -0.5496 -0.0385 -0.0378 0.0000 249.2474 T0369.try18-opt2.repack-nonPC.pdb.gz 148 0.5785 1.6205 1.6683 3.1018 3.0673 3.3603 3.5863 0.6435 -5.3776 0.2013 0.1402 -0.0028 0.0705 0.0135 0.0324 -0.1891 -0.1878 -0.2136 -0.5833 -0.7343 -0.5723 -0.0444 -0.0373 0.0000 249.2693 T0369.try14-opt2.repack-nonPC.pdb.gz 148 0.5767 1.6416 1.6730 3.0505 3.0618 3.4173 3.6283 1.0132 -5.8547 0.2986 0.1274 -0.0544 0.0534 0.0068 0.0313 -0.3533 -0.3700 -0.3972 -0.5041 -0.6974 -0.5604 -0.0386 -0.0369 0.0000 249.4955 T0369.try16-opt2.repack-nonPC.pdb.gz 148 0.5785 1.6421 1.6902 3.0779 3.0636 3.4145 3.6315 1.0079 -5.8713 0.2753 0.1306 -0.0569 0.0503 0.0135 0.0285 -0.3534 -0.3702 -0.3973 -0.5022 -0.7188 -0.5617 -0.0387 -0.0369 0.0000 249.5667 T0369.try11-opt2.repack-nonPC.pdb.gz 148 0.5758 1.6345 1.6777 3.1092 3.0738 3.3368 3.5834 0.6478 -5.3269 0.1927 0.1468 -0.0028 0.0946 0.0203 0.0351 -0.1880 -0.1851 -0.2105 -0.5898 -0.7352 -0.5646 -0.0421 -0.0361 0.0000 250.4418 T0369.try7-opt2.pdb.gz 148 0.5838 1.6418 1.6624 2.9929 3.0330 3.3827 3.6018 0.8730 -6.2736 0.2295 0.1600 -0.0542 0.1561 0.0270 0.0679 -0.3650 -0.3697 -0.3969 -0.5113 -0.6965 -0.5490 -0.0386 -0.0380 0.0000 251.1799 T0369.try18-opt2.gromacs0.pdb.gz 148 0.5849 1.6511 1.7031 3.0495 3.0320 3.3299 3.5695 0.6681 -4.6140 0.2712 0.2231 0.0855 0.0203 0.0068 0.0277 0.0881 0.1451 0.1074 -0.5970 -0.7292 -0.5528 -0.0433 -0.0361 0.0000 252.0888 T0369.try11-opt2.gromacs0.pdb.gz 148 0.5883 1.6578 1.6959 3.0457 3.0370 3.3096 3.5608 0.6287 -4.5417 0.2768 0.2246 0.0853 0.0315 0.0135 0.0268 0.0969 0.1564 0.1170 -0.6070 -0.7292 -0.5494 -0.0406 -0.0346 0.0000 252.1350 T0369.try11-opt1.pdb.gz 148 0.5827 1.6364 1.6702 3.0526 3.0504 3.3257 3.5691 0.6261 -5.7799 0.2031 0.1581 0.0409 0.2345 0.0135 0.0521 -0.1606 -0.1322 -0.1518 -0.5888 -0.6839 -0.5553 -0.0414 -0.0355 0.0000 252.1895 T0369.try12-opt2.pdb.gz 148 0.5478 1.6615 1.6503 2.8951 3.0024 3.3449 3.5942 0.7454 -6.1359 0.2275 0.1528 -0.0357 0.1857 0.0135 0.0680 -0.3278 -0.3552 -0.3831 -0.3379 -0.7130 -0.5583 -0.0397 -0.0386 0.0000 252.3958 T0369.try15-opt2.repack-nonPC.pdb.gz 148 0.5594 1.6404 1.6619 3.0109 3.0483 3.3838 3.6122 0.8236 -5.7892 0.4205 0.1212 -0.0794 0.0731 0.0000 0.0248 -0.1578 -0.1842 -0.2000 -0.3392 -0.6992 -0.5617 -0.0386 -0.0377 0.0000 252.6257 T0369.try16-opt2.gromacs0.pdb.gz 148 0.5799 1.6592 1.6870 3.0263 3.0370 3.3667 3.6048 0.8009 -4.5228 0.2090 0.2138 0.0199 0.0094 0.0068 0.0070 0.1330 0.1629 0.1343 -0.5032 -0.7165 -0.5468 -0.0370 -0.0347 0.0000 252.9087 T0369.try13-opt2.repack-nonPC.pdb.gz 148 0.5811 1.6489 1.6765 3.0910 3.0763 3.4202 3.6321 1.0138 -5.7196 0.2970 0.1365 -0.0570 0.0523 0.0135 0.0396 -0.3627 -0.3798 -0.4027 -0.5029 -0.6982 -0.5580 -0.0385 -0.0372 0.0000 253.1153 T0369.try19-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5889 1.6579 1.7070 3.0771 3.0373 3.3167 3.5767 0.6515 -4.3376 0.2820 0.2219 0.0814 0.0329 0.0203 0.0235 0.1053 0.1494 0.1189 -0.6043 -0.7085 -0.5609 -0.0441 -0.0367 0.0000 253.5445 T0369.try8-opt2.pdb.gz 148 0.5497 1.6378 1.6704 2.9251 2.9637 3.3473 3.6211 2.0729 -6.1013 0.1684 0.1199 -0.0298 0.1865 0.0338 0.0375 -0.2139 -0.2849 -0.3252 -0.2042 -0.7338 -0.5524 -0.0407 -0.0377 0.0000 254.4120 T0369.try11-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5725 1.6578 1.6959 3.0709 3.0633 3.3277 3.5813 0.6959 -4.4956 0.2768 0.2246 0.0853 0.0261 0.0135 0.0268 0.0969 0.1564 0.1170 -0.6014 -0.7030 -0.5494 -0.0406 -0.0346 0.0000 254.4452 T0369.try14-opt2.gromacs0.pdb.gz 148 0.5711 1.6542 1.6762 3.0328 3.0493 3.3596 3.5910 0.7996 -4.5615 0.2521 0.2157 0.0237 0.0073 0.0068 0.0155 0.0880 0.1107 0.0789 -0.4899 -0.7138 -0.5431 -0.0366 -0.0344 0.0000 254.4541 T0369.try16-opt1-scwrl.pdb.gz 148 0.5836 1.6442 1.6841 3.0987 3.0958 3.4048 3.6102 0.8350 -6.4187 0.2981 0.1299 -0.0569 0.3541 0.0135 0.0324 -0.3534 -0.3702 -0.3973 -0.4978 -0.7044 -0.5545 -0.0385 -0.0368 0.0000 254.7171 T0369.try10-opt2.repack-nonPC.pdb.gz 148 0.5565 1.6554 1.6655 3.0620 3.0486 3.3798 3.5857 0.8041 -5.6714 0.2150 0.1583 -0.0255 0.0740 0.0203 0.0749 -0.3575 -0.3517 -0.3954 -0.5121 -0.7233 -0.5590 -0.0439 -0.0365 0.0000 254.8901 T0369.try17-opt1-scwrl.pdb 148 0.5879 1.6344 1.6879 3.0865 3.0864 3.4064 3.6073 0.8943 -6.4040 0.3304 0.1225 -0.0618 0.3998 0.0338 0.0254 -0.2553 -0.2699 -0.3103 -0.4943 -0.6785 -0.5604 -0.0383 -0.0365 0.0000 255.1325 T0369.try11-opt1-scwrl.pdb.gz 148 0.5816 1.6364 1.6702 3.0861 3.0684 3.3556 3.5768 0.7269 -5.8460 0.2031 0.1581 0.0409 0.2788 0.0135 0.0521 -0.1606 -0.1322 -0.1518 -0.5789 -0.6816 -0.5553 -0.0414 -0.0355 0.0000 255.4120 T0369.try14-opt1-scwrl.pdb.gz 148 0.5805 1.6429 1.6766 3.1111 3.0908 3.4069 3.6115 0.8310 -6.4322 0.2983 0.1310 -0.0544 0.3773 0.0135 0.0340 -0.3520 -0.3691 -0.3962 -0.4982 -0.6882 -0.5542 -0.0382 -0.0369 0.0000 255.5867 T0369.try13-opt2.gromacs0.pdb.gz 148 0.5778 1.6644 1.6869 3.0513 3.0442 3.3773 3.6070 0.8222 -4.5646 0.2915 0.2227 0.0182 0.0068 0.0068 0.0171 0.1020 0.1271 0.0952 -0.4960 -0.6882 -0.5413 -0.0367 -0.0348 0.0000 256.0066 T0369.try10-opt2.gromacs0.pdb.gz 148 0.5907 1.6773 1.6994 2.9790 2.9989 3.3308 3.5568 0.7678 -4.5237 0.3403 0.2413 0.0824 0.0462 0.0068 0.0378 0.2274 0.2246 0.1966 -0.4942 -0.6853 -0.5376 -0.0419 -0.0347 0.0000 256.9488 T0369.try18-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5792 1.6511 1.7031 3.1151 3.0707 3.3319 3.5885 0.6861 -4.2494 0.2712 0.2231 0.0855 0.0215 0.0068 0.0277 0.0881 0.1451 0.1074 -0.5940 -0.7070 -0.5528 -0.0433 -0.0361 0.0000 257.0514 T0369.try13-opt1-scwrl.pdb.gz 148 0.5909 1.6478 1.6737 3.0770 3.0877 3.3993 3.6060 0.8375 -6.1784 0.2567 0.1514 -0.0453 0.3460 0.0135 0.0473 -0.3416 -0.3549 -0.3799 -0.5037 -0.6726 -0.5496 -0.0385 -0.0378 0.0000 257.2184 T0369.try7-opt2.repack-nonPC.pdb.gz 148 0.5706 1.6418 1.6624 3.0729 3.0681 3.4269 3.6308 1.0492 -5.7403 0.2295 0.1600 -0.0542 0.0995 0.0270 0.0679 -0.3650 -0.3697 -0.3969 -0.5114 -0.6707 -0.5490 -0.0386 -0.0380 0.0000 257.3243 T0369.try4-opt2.pdb.gz 148 0.5422 1.5829 1.6409 2.9278 2.9745 3.3329 3.6147 2.3255 -6.2114 0.1902 0.1449 -0.0222 0.1282 0.0203 0.0371 -0.2509 -0.2866 -0.3209 -0.0333 -0.7218 -0.5933 -0.0445 -0.0383 0.0000 257.4216 T0369.try15-opt2.gromacs0.pdb.gz 148 0.5631 1.6473 1.6727 2.9311 3.0014 3.3310 3.5958 0.7196 -4.5104 0.2838 0.2040 0.0164 0.0178 0.0000 0.0318 0.2326 0.2412 0.2375 -0.3415 -0.7249 -0.5574 -0.0347 -0.0341 0.0000 257.5999 T0369.try2-opt2.pdb.gz 148 0.5435 1.5849 1.6487 2.9072 2.9785 3.3375 3.6184 2.3218 -6.3009 0.1724 0.1417 -0.0362 0.1462 0.0203 0.0443 -0.3709 -0.3949 -0.4239 -0.0154 -0.7262 -0.5865 -0.0448 -0.0386 0.0000 257.9004 T0369.try15-opt1-scwrl.pdb.gz 148 0.5876 1.6402 1.6518 3.0139 3.0901 3.3843 3.6240 0.7813 -6.1789 0.4506 0.1242 -0.0737 0.3017 0.0068 0.0292 -0.1577 -0.1847 -0.2007 -0.3365 -0.6620 -0.5494 -0.0376 -0.0372 0.0000 258.3158 T0369.try7-opt1.pdb.gz 148 0.5840 1.6482 1.6848 3.0643 3.0699 3.3930 3.6074 0.8722 -5.9399 0.2271 0.1769 -0.0487 0.1907 0.0270 0.0708 -0.2913 -0.3172 -0.3473 -0.5029 -0.6586 -0.5350 -0.0369 -0.0357 0.0000 258.7364 T0369.try16-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5790 1.6592 1.6870 3.1212 3.0555 3.4260 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