# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * 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 + 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 + 30 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms + 0.5 * maybe_metal + 1 * maybe_ssbond ) 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 maybe_metal maybe_ssbond 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 10N 10N 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 -0.8591 -0.6872 -0.5590 -0.0439 -0.0365 0.0000 0.0000 0.0000 134.4790 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 -0.8320 -0.7191 -0.5646 -0.0421 -0.0361 0.0000 0.0000 0.0000 135.0128 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 -0.8095 -0.7130 -0.5583 -0.0397 -0.0386 0.0000 0.0000 0.0000 135.4277 T0369.try14-opt1.pdb 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 -0.7007 -0.6950 -0.5542 -0.0382 -0.0369 0.0000 0.0000 0.0000 138.1876 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 -0.7054 -0.6878 -0.5580 -0.0385 -0.0372 0.0000 0.0000 0.0000 138.2208 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 -0.8433 -0.7233 -0.5590 -0.0439 -0.0365 0.0000 0.0000 0.0000 138.9714 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 -0.7186 -0.6965 -0.5490 -0.0386 -0.0380 0.0000 0.0000 0.0000 140.4831 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 -0.7155 -0.7006 -0.5496 -0.0385 -0.0378 0.0000 0.0000 0.0000 140.6421 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 -0.8234 -0.7352 -0.5646 -0.0421 -0.0361 0.0000 0.0000 0.0000 141.1391 T0369.try12-opt2.repack-nonPC.pdb.gz 148 0.5616 1.6615 1.6503 3.0153 3.0846 3.4227 3.6309 0.9747 -5.6117 0.2275 0.1528 -0.0357 0.0808 0.0135 0.0680 -0.3278 -0.3552 -0.3831 -0.8189 -0.6793 -0.5583 -0.0397 -0.0386 0.0000 0.0000 0.0000 141.3004 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 -0.7973 -0.6839 -0.5553 -0.0414 -0.0355 0.0000 0.0000 0.0000 142.8717 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 -0.7055 -0.6982 -0.5580 -0.0385 -0.0372 0.0000 0.0000 0.0000 143.5719 T0369.try10-opt1.pdb.gz 148 0.5943 1.6603 1.6609 2.9981 3.0667 3.3793 3.5877 0.8365 -5.8924 0.1954 0.1696 0.0193 0.2495 0.0135 0.0832 -0.1153 -0.1128 -0.1600 -0.8144 -0.6829 -0.5600 -0.0443 -0.0373 0.0000 0.0000 0.0000 144.4444 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 -0.7995 -0.6816 -0.5553 -0.0414 -0.0355 0.0000 0.0000 0.0000 144.9094 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 -0.7186 -0.6707 -0.5490 -0.0386 -0.0380 0.0000 0.0000 0.0000 145.0095 T0369.try12-opt1.pdb.gz 148 0.5592 1.6566 1.6661 2.9817 3.0833 3.4320 3.6316 0.9205 -5.8984 0.2350 0.1641 -0.0238 0.2516 0.0135 0.0597 -0.1880 -0.1979 -0.2163 -0.7762 -0.6800 -0.5492 -0.0385 -0.0380 0.0000 0.0000 0.0000 145.0123 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 -0.8335 -0.7292 -0.5494 -0.0406 -0.0346 0.0000 0.0000 0.0000 145.1771 T0369.try10-opt1-scwrl.pdb.gz 148 0.5874 1.6603 1.6609 3.0107 3.0892 3.3893 3.5952 0.7710 -5.9777 0.1954 0.1696 0.0193 0.2899 0.0135 0.0832 -0.1153 -0.1128 -0.1600 -0.8001 -0.6856 -0.5600 -0.0443 -0.0373 0.0000 0.0000 0.0000 145.8361 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 -0.7252 -0.6586 -0.5350 -0.0369 -0.0357 0.0000 0.0000 0.0000 146.1060 T0369.try12-opt1-scwrl.pdb.gz 148 0.5694 1.6566 1.6661 3.0323 3.1040 3.4474 3.6298 0.9751 -6.0167 0.2350 0.1641 -0.0238 0.2689 0.0135 0.0597 -0.1880 -0.1979 -0.2163 -0.7836 -0.6480 -0.5492 -0.0385 -0.0380 0.0000 0.0000 0.0000 146.3624 T0369.try14-opt1-scwrl.pdb 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 -0.7016 -0.6882 -0.5542 -0.0382 -0.0369 0.0000 0.0000 0.0000 146.3862 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 -0.8252 -0.6853 -0.5376 -0.0419 -0.0347 0.0000 0.0000 0.0000 146.5957 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 -0.8312 -0.7030 -0.5494 -0.0406 -0.0346 0.0000 0.0000 0.0000 146.6727 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 -0.7183 -0.6726 -0.5496 -0.0385 -0.0378 0.0000 0.0000 0.0000 146.8043 T0369.try12-opt2.gromacs0.pdb.gz 148 0.5517 1.6598 1.6713 2.9125 3.0211 3.3484 3.5967 0.7491 -4.2644 0.2838 0.2263 0.0348 0.0431 0.0000 0.0362 0.2478 0.2654 0.2556 -0.7815 -0.7219 -0.5507 -0.0377 -0.0369 0.0000 0.0000 0.0000 147.3573 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 -0.6967 -0.6882 -0.5413 -0.0367 -0.0348 0.0000 0.0000 0.0000 149.9473 T0369.try7-opt1-scwrl.pdb.gz 148 0.5871 1.6482 1.6848 3.1095 3.0851 3.3929 3.5964 0.8310 -6.0606 0.2271 0.1769 -0.0487 0.3754 0.0270 0.0708 -0.2913 -0.3172 -0.3473 -0.7268 -0.6562 -0.5350 -0.0369 -0.0357 0.0000 0.0000 0.0000 150.0505 T0369.try12-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5510 1.6598 1.6713 3.0183 3.0670 3.4019 3.6040 0.9712 -4.3716 0.2838 0.2263 0.0348 0.0347 0.0000 0.0362 0.2478 0.2654 0.2556 -0.7880 -0.6444 -0.5507 -0.0377 -0.0369 0.0000 0.0000 0.0000 150.6218 T0369.try6-opt2.pdb.gz 148 0.5592 1.6295 1.6782 2.9562 3.0522 3.3785 3.6517 1.8847 -6.0383 0.2694 0.1766 -0.0038 0.2510 0.0270 0.1545 -0.2472 -0.2761 -0.3083 -0.6957 -0.7150 -0.5511 -0.0451 -0.0382 0.0000 0.0000 0.0000 151.0235 T0369.try5-opt2.pdb.gz 148 0.5539 1.6304 1.6712 2.9833 3.0237 3.3679 3.6151 1.9619 -5.8712 0.2847 0.1912 -0.0059 0.2092 0.0405 0.1567 -0.1661 -0.1977 -0.2275 -0.7120 -0.6547 -0.5117 -0.0445 -0.0380 0.0000 0.0000 0.0000 151.6496 T0369.try10-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5666 1.6773 1.6994 3.0926 3.0564 3.3811 3.5881 0.8152 -4.1561 0.3403 0.2413 0.0824 0.0493 0.0068 0.0378 0.2274 0.2246 0.1966 -0.8246 -0.6733 -0.5376 -0.0419 -0.0347 0.0000 0.0000 0.0000 152.0716 T0369.try13-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5719 1.6644 1.6869 3.0960 3.0750 3.4296 3.6286 0.9872 -4.4993 0.2915 0.2227 0.0182 0.0143 0.0068 0.0171 0.1020 0.1271 0.0952 -0.6968 -0.6596 -0.5413 -0.0367 -0.0348 0.0000 0.0000 0.0000 152.9867 T0369.try7-opt2.gromacs0.pdb.gz 148 0.5871 1.6384 1.6711 3.0473 3.0479 3.3913 3.6071 0.8732 -4.4453 0.5186 0.2335 0.0162 0.0412 0.0203 0.0315 0.1012 0.1169 0.0827 -0.7075 -0.6921 -0.5287 -0.0373 -0.0356 0.0000 0.0000 0.0000 153.1009 T0369.try7-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5929 1.6384 1.6711 3.0714 3.0812 3.4373 3.6330 1.0314 -4.3791 0.5186 0.2335 0.0162 0.0406 0.0203 0.0315 0.1012 0.1169 0.0827 -0.7091 -0.6302 -0.5287 -0.0373 -0.0356 0.0000 0.0000 0.0000 155.9346 T0369.try6-opt2.repack-nonPC.pdb.gz 148 0.5555 1.6295 1.6782 3.0460 3.1437 3.4022 3.6631 1.9615 -5.5322 0.2694 0.1766 -0.0038 0.1871 0.0270 0.1545 -0.2472 -0.2761 -0.3083 -0.6903 -0.6790 -0.5511 -0.0451 -0.0382 0.0000 0.0000 0.0000 156.3041 T0369.try5-opt2.repack-nonPC.pdb.gz 148 0.5556 1.6304 1.6712 3.0838 3.0764 3.4302 3.6480 2.0502 -5.4246 0.2847 0.1912 -0.0059 0.1644 0.0405 0.1567 -0.1661 -0.1977 -0.2275 -0.7127 -0.6404 -0.5117 -0.0445 -0.0380 0.0000 0.0000 0.0000 156.8981 T0369.try6-opt1.pdb.gz 148 0.5525 1.6395 1.6816 3.0315 3.0905 3.4303 3.6751 2.1130 -5.9961 0.3233 0.1814 -0.0091 0.2735 0.0405 0.1680 -0.1711 -0.2091 -0.2423 -0.6502 -0.6512 -0.5439 -0.0448 -0.0379 0.0000 0.0000 0.0000 158.1073 T0369.try5-opt1.pdb.gz 148 0.5582 1.6275 1.6973 3.0456 3.0623 3.3953 3.6401 2.0266 -5.9619 0.2344 0.2091 -0.0074 0.3504 0.1216 0.1798 -0.0785 -0.1447 -0.1630 -0.6660 -0.6296 -0.5063 -0.0433 -0.0374 0.0000 0.0000 0.0000 159.8968 T0369.try6-opt1-scwrl.pdb.gz 148 0.5629 1.6395 1.6816 3.0801 3.1327 3.4397 3.6990 2.0629 -6.1046 0.3233 0.1814 -0.0091 0.3455 0.0405 0.1680 -0.1711 -0.2091 -0.2423 -0.6282 -0.6474 -0.5439 -0.0448 -0.0379 0.0000 0.0000 0.0000 161.5764 T0369.try5-opt1-scwrl.pdb.gz 148 0.5739 1.6275 1.6973 3.1053 3.1027 3.4222 3.6568 2.1115 -6.0227 0.2344 0.2091 -0.0074 0.3784 0.1216 0.1798 -0.0785 -0.1447 -0.1630 -0.6476 -0.6341 -0.5063 -0.0433 -0.0374 0.0000 0.0000 0.0000 163.2797 T0369.try5-opt2.gromacs0.pdb.gz 148 0.5606 1.6088 1.6930 3.0665 3.0704 3.3944 3.6139 1.9694 -3.8418 0.9338 0.2818 0.0234 0.0969 0.0743 0.0952 0.3621 0.3310 0.2992 -0.4998 -0.6136 -0.4703 -0.0424 -0.0361 0.0000 0.0000 0.0000 173.9816 T0369.try6-opt2.gromacs0.pdb.gz 148 0.5618 1.6515 1.6965 3.0262 3.1230 3.3900 3.6504 1.8933 -3.8543 0.8605 0.2724 -0.0008 0.1265 0.1014 0.0705 0.3013 0.2505 0.2121 -0.4075 -0.6559 -0.5088 -0.0444 -0.0342 0.0000 0.0000 0.0000 175.2053 T0369.try5-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5640 1.6088 1.6930 3.1109 3.0869 3.4270 3.6187 2.0354 -3.8725 0.9338 0.2818 0.0234 0.0909 0.0743 0.0952 0.3621 0.3310 0.2992 -0.5033 -0.6000 -0.4703 -0.0424 -0.0361 0.0000 0.0000 0.0000 175.3604 T0369.try6-opt2.gromacs0.repack-nonPC.pdb.gz 148 0.5656 1.6515 1.6965 3.0563 3.1846 3.4165 3.6563 1.9937 -3.8654 0.8605 0.2724 -0.0008 0.1045 0.1014 0.0705 0.3013 0.2505 0.2121 -0.4027 -0.6477 -0.5088 -0.0444 -0.0342 0.0000 0.0000 0.0000 177.2642 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 0.6979 -0.7218 -0.5933 -0.0445 -0.0383 0.0000 0.0000 0.0000 179.6854 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 0.7378 -0.7262 -0.5865 -0.0448 -0.0386 0.0000 0.0000 0.0000 180.2211 T0369.try4-opt1.pdb.gz 148 0.5508 1.5875 1.6455 2.9349 2.9851 3.3377 3.6164 2.3089 -6.1834 0.1925 0.1431 -0.0163 0.1633 0.0203 0.0397 -0.2652 -0.3021 -0.3359 0.7044 -0.7333 -0.5843 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