# 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) + 20 * dry8(8) + 10 * dry12(12) + 5 * phobic_fit + 5 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 80 * soft_clashes + 2 * backbone_clashes + 200 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 1 * missing_atoms + 0 * maybe_metal + 0 * 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 T0342.try9-opt2.pdb.gz 188 0.5536 1.6051 1.6422 3.0136 3.0447 3.4973 3.7179 0.3962 -4.5328 0.3616 0.1782 -0.1998 0.0235 0.0106 0.0216 0.4893 0.4302 0.3952 -0.1942 -0.5468 -0.4105 -0.1422 -0.1216 0.0000 0.0000 0.0000 230.7632 T0342.try9-opt1.pdb.gz 188 0.5598 1.6064 1.6396 3.0350 3.0718 3.5303 3.7390 0.4106 -4.5156 0.3632 0.1803 -0.1998 0.0223 0.0106 0.0224 0.4893 0.4302 0.3952 -0.1967 -0.5405 -0.4069 -0.1390 -0.1200 0.0000 0.0000 0.0000 233.4459 T0342.try7-opt2.pdb.gz 188 0.5545 1.6006 1.6483 3.0249 3.1006 3.5822 3.7856 0.6361 -4.6192 0.3566 0.1822 -0.1752 0.0193 0.0213 0.0233 0.5021 0.4337 0.3758 -0.1966 -0.5482 -0.4150 -0.1370 -0.1190 0.0000 0.0000 0.0000 236.1486 T0342.try9-opt2.repack-nonPC.pdb.gz 188 0.5692 1.6051 1.6422 3.1025 3.1390 3.5448 3.7385 0.3654 -4.7110 0.3616 0.1782 -0.1998 0.0383 0.0106 0.0216 0.4893 0.4302 0.3952 -0.1933 -0.5579 -0.4105 -0.1422 -0.1216 0.0000 0.0000 0.0000 236.3788 T0342.try8-opt2.pdb.gz 188 0.5543 1.6143 1.6786 3.0286 3.1355 3.5994 3.7880 0.7658 -4.8681 0.3364 0.1761 -0.1404 0.0218 0.0266 0.0264 0.4837 0.4358 0.3682 -0.2092 -0.5641 -0.4190 -0.1358 -0.1179 0.0000 0.0000 0.0000 237.8033 T0342.try7-opt2.repack-nonPC.pdb.gz 188 0.5617 1.6006 1.6483 3.1191 3.1912 3.5971 3.7896 0.6032 -4.8271 0.3566 0.1822 -0.1752 0.0342 0.0213 0.0233 0.5021 0.4337 0.3758 -0.1932 -0.5704 -0.4150 -0.1370 -0.1190 0.0000 0.0000 0.0000 240.6539 T0342.try7-opt1.pdb.gz 188 0.5594 1.6018 1.6521 3.0530 3.1340 3.5898 3.7859 0.6666 -4.3856 0.3447 0.1856 -0.1739 0.0256 0.0319 0.0271 0.5086 0.4401 0.3818 -0.1972 -0.5293 -0.4019 -0.1319 -0.1135 0.0000 0.0000 0.0000 241.4530 T0342.try8-opt2.repack-nonPC.pdb.gz 188 0.5643 1.6143 1.6786 3.1032 3.2075 3.6099 3.7947 0.6862 -4.9952 0.3364 0.1761 -0.1404 0.0357 0.0266 0.0264 0.4837 0.4358 0.3682 -0.2065 -0.5769 -0.4190 -0.1358 -0.1179 0.0000 0.0000 0.0000 241.5689 T0342.try9-opt2.gromacs0.pdb.gz 188 0.5565 1.6136 1.6778 3.0626 3.0745 3.5171 3.7184 0.3985 -3.6952 0.2723 0.2441 -0.1924 0.0144 0.0213 0.0336 0.7389 0.6896 0.6478 -0.1936 -0.5443 -0.3990 -0.1374 -0.1178 0.0000 0.0000 0.0000 241.5741 T0342.try8-opt1.pdb.gz 188 0.5632 1.6238 1.6763 3.0371 3.1582 3.6055 3.8016 0.7844 -4.5011 0.3492 0.1837 -0.1435 0.0245 0.0266 0.0270 0.4947 0.4427 0.3772 -0.2073 -0.5477 -0.4141 -0.1320 -0.1147 0.0000 0.0000 0.0000 242.0699 T0342.try7-opt2.gromacs0.pdb.gz 188 0.5579 1.6064 1.6459 3.0592 3.1189 3.5892 3.7876 0.6306 -3.8649 0.2669 0.2276 -0.1741 0.0130 0.0266 0.0221 0.7596 0.7022 0.6407 -0.1968 -0.5533 -0.4035 -0.1299 -0.1144 0.0000 0.0000 0.0000 243.0254 T0342.try9-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5763 1.6136 1.6778 3.1116 3.1414 3.5687 3.7325 0.3570 -4.0812 0.2723 0.2441 -0.1924 0.0262 0.0213 0.0336 0.7389 0.6896 0.6478 -0.1926 -0.5489 -0.3990 -0.1374 -0.1178 0.0000 0.0000 0.0000 244.4888 T0342.try8-opt2.gromacs0.pdb.gz 188 0.5582 1.6157 1.6925 3.0637 3.1664 3.6015 3.7880 0.7623 -3.9966 0.2584 0.2472 -0.1256 0.0136 0.0213 0.0226 0.7451 0.7087 0.6355 -0.2101 -0.5677 -0.4102 -0.1292 -0.1134 0.0000 0.0000 0.0000 245.2068 T0342.try7-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5711 1.6064 1.6459 3.1282 3.1657 3.6050 3.7903 0.5576 -4.1789 0.2669 0.2276 -0.1741 0.0272 0.0266 0.0221 0.7596 0.7022 0.6407 -0.1945 -0.5626 -0.4035 -0.1299 -0.1144 0.0000 0.0000 0.0000 245.2871 T0342.try8-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5593 1.6157 1.6925 3.1039 3.2147 3.6175 3.7856 0.7060 -4.2149 0.2584 0.2472 -0.1256 0.0195 0.0213 0.0226 0.7451 0.7087 0.6355 -0.2075 -0.5584 -0.4102 -0.1292 -0.1134 0.0000 0.0000 0.0000 246.7048 T0342.try4-opt2.gromacs0.pdb.gz 188 0.5654 1.6211 1.6920 3.0591 3.1726 3.6164 3.8051 0.7966 -3.8013 0.3092 0.2209 -0.1275 0.0200 0.0266 0.0245 0.7491 0.7117 0.6406 -0.2078 -0.5465 -0.4123 -0.1258 -0.1119 0.0000 0.0000 0.0000 248.3509 T0342.try4-opt2.pdb.gz 188 0.5624 1.6309 1.7014 3.0292 3.1701 3.6141 3.8075 0.7992 -4.5409 0.3575 0.1320 -0.1084 0.0956 0.0372 0.0415 0.5490 0.4960 0.4391 -0.2101 -0.5501 -0.4226 -0.1332 -0.1175 0.0000 0.0000 0.0000 250.6565 T0342.try4-opt2.repack-nonPC.pdb.gz 188 0.5605 1.6309 1.7014 3.1122 3.2399 3.6223 3.8049 0.7257 -4.7151 0.3575 0.1320 -0.1084 0.0751 0.0372 0.0415 0.5490 0.4960 0.4391 -0.2075 -0.5695 -0.4226 -0.1332 -0.1175 0.0000 0.0000 0.0000 251.2164 T0342.try6-opt2.pdb.gz 188 0.5565 1.6087 1.6339 3.1783 3.2232 3.5225 3.6399 0.0235 -4.1245 0.4786 0.1401 -0.1390 0.1210 0.0319 0.0280 0.7083 0.6859 0.6448 -0.2266 -0.4896 -0.3559 -0.1336 -0.1101 0.0000 0.0000 0.0000 251.6114 T0342.try4-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5642 1.6211 1.6920 3.1224 3.2320 3.6320 3.7986 0.7260 -4.0802 0.3092 0.2209 -0.1275 0.0448 0.0266 0.0245 0.7491 0.7117 0.6406 -0.2048 -0.5365 -0.4123 -0.1258 -0.1119 0.0000 0.0000 0.0000 251.6507 T0342.try6-opt2.repack-nonPC.pdb.gz 188 0.5455 1.6087 1.6339 3.2250 3.2824 3.5122 3.6456 0.0939 -4.1736 0.4786 0.1401 -0.1390 0.1029 0.0319 0.0280 0.7083 0.6859 0.6448 -0.2240 -0.4637 -0.3559 -0.1336 -0.1101 0.0000 0.0000 0.0000 252.5229 T0342.try3-opt2.pdb.gz 188 0.5006 1.5371 1.6256 3.0790 3.1724 3.5669 3.7299 0.3541 -4.4281 0.7088 0.1537 -0.0644 0.1112 0.0798 0.0614 0.4381 0.4477 0.4267 -0.2970 -0.5286 -0.3929 -0.1430 -0.1173 0.0000 0.0000 0.0000 252.7898 T0342.try3-opt2.gromacs0.pdb.gz 188 0.5028 1.5450 1.6102 3.1250 3.1891 3.5808 3.7298 0.3540 -3.3406 0.3743 0.2574 0.0161 0.0315 0.0372 0.0447 0.9860 1.0586 0.9652 -0.2968 -0.5294 -0.3933 -0.1367 -0.1105 0.0000 0.0000 0.0000 254.1890 T0342.try5-opt2.pdb.gz 188 0.5309 1.5942 1.6749 3.0615 3.1301 3.5094 3.6563 0.3885 -4.7174 0.2044 0.1758 -0.0594 0.1157 0.0691 0.0840 0.4101 0.4153 0.3875 0.0284 -0.5358 -0.4072 -0.1441 -0.1200 0.0000 0.0000 0.0000 254.3293 T0342.try2-opt2.pdb.gz 188 0.5466 1.6039 1.6856 3.0738 3.1863 3.5367 3.7136 0.6711 -4.7920 0.3354 0.1509 -0.0551 0.1552 0.0691 0.0311 0.3426 0.3641 0.3645 0.4609 -0.5527 -0.4101 -0.1508 -0.1224 0.0000 0.0000 0.0000 254.8333 T0342.try5-opt2.repack-nonPC.pdb.gz 188 0.5414 1.5942 1.6749 3.0776 3.1429 3.5318 3.6580 0.4054 -4.6703 0.2044 0.1758 -0.0594 0.1086 0.0691 0.0840 0.4101 0.4153 0.3875 0.0284 -0.5003 -0.4072 -0.1441 -0.1200 0.0000 0.0000 0.0000 255.5211 T0342.try3-opt2.repack-nonPC.pdb.gz 188 0.5245 1.5371 1.6256 3.1195 3.2489 3.6075 3.7428 0.3800 -4.3615 0.7088 0.1537 -0.0644 0.0909 0.0798 0.0614 0.4381 0.4477 0.4267 -0.2951 -0.5059 -0.3929 -0.1430 -0.1173 0.0000 0.0000 0.0000 255.7762 T0342.try5-opt2.gromacs0.pdb.gz 188 0.5350 1.5926 1.6467 3.0935 3.1512 3.5171 3.6624 0.3817 -3.5805 0.4400 0.2631 -0.0466 0.0260 0.0213 0.0641 0.7733 0.8533 0.7721 0.0286 -0.5182 -0.3863 -0.1325 -0.1120 0.0000 0.0000 0.0000 256.1770 T0342.try5-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5562 1.5926 1.6467 3.1316 3.1774 3.5347 3.6700 0.4202 -3.6983 0.4400 0.2631 -0.0466 0.0282 0.0213 0.0641 0.7733 0.8533 0.7721 0.0259 -0.4779 -0.3863 -0.1325 -0.1120 0.0000 0.0000 0.0000 258.2934 T0342.try2-opt2.repack-nonPC.pdb.gz 188 0.5422 1.6039 1.6856 3.1690 3.2605 3.5639 3.7233 0.7470 -4.5053 0.3354 0.1509 -0.0551 0.1261 0.0691 0.0311 0.3426 0.3641 0.3645 0.4624 -0.5358 -0.4101 -0.1508 -0.1224 0.0000 0.0000 0.0000 258.7466 T0342.try2-opt2.gromacs0.pdb.gz 188 0.5485 1.6121 1.6807 3.1001 3.2024 3.5559 3.7184 0.6732 -3.4015 0.2680 0.2312 -0.0280 0.0343 0.0266 0.0385 0.8016 0.9127 0.8675 0.4643 -0.5481 -0.3941 -0.1419 -0.1151 0.0000 0.0000 0.0000 259.9290 T0342.try6-opt2.gromacs0.pdb.gz 188 0.5538 1.6213 1.6336 3.1893 3.2507 3.5226 3.6388 0.0197 -3.2416 0.5198 0.2516 -0.1528 0.0487 0.0532 0.0509 1.0124 1.0026 0.9437 -0.2277 -0.5011 -0.3487 -0.1250 -0.0988 0.0000 0.0000 0.0000 260.4115 T0342.try6-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5515 1.6213 1.6336 3.2239 3.3017 3.5289 3.6524 0.0555 -3.5821 0.5198 0.2516 -0.1528 0.0462 0.0532 0.0509 1.0124 1.0026 0.9437 -0.2272 -0.4714 -0.3487 -0.1250 -0.0988 0.0000 0.0000 0.0000 261.0350 T0342.try11-opt2.gromacs0.pdb.gz 188 0.5611 1.6080 1.6463 3.1363 3.0929 3.4102 3.5778 0.9610 -3.1345 0.7649 0.2736 -0.1330 0.0566 0.0266 0.0843 0.6965 0.7497 0.6938 -0.0212 -0.5701 -0.3833 -0.1427 -0.1230 0.0000 -0.2182 0.0000 263.1350 T0342.try11-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5478 1.6080 1.6463 3.1488 3.1496 3.4318 3.5924 0.9721 -3.2113 0.7649 0.2736 -0.1330 0.0463 0.0266 0.0843 0.6965 0.7497 0.6938 -0.0209 -0.5243 -0.3833 -0.1427 -0.1230 0.0000 -0.2182 0.0000 264.2609 T0342.try11-opt2.repack-nonPC.pdb.gz 188 0.5576 1.6032 1.6645 3.1430 3.1148 3.4307 3.5847 0.9597 -4.5000 0.3628 0.1848 -0.1961 0.1800 0.0798 0.1049 0.3080 0.3049 0.2741 -0.0113 -0.5437 -0.4027 -0.1504 -0.1267 0.0000 -0.4322 0.0000 265.1327 T0342.try12-opt2.gromacs0.pdb.gz 188 0.5558 1.6346 1.6525 3.0866 3.1421 3.4649 3.6205 -0.3958 -3.0801 0.5725 0.2884 -0.0443 0.1143 0.1489 0.0951 0.8859 0.9284 0.8635 -0.3768 -0.5168 -0.3541 -0.1314 -0.1074 0.0000 0.0000 0.0000 265.3139 T0342.try1-opt2.pdb.gz 188 0.5518 1.5585 1.6183 3.0501 3.0443 3.4411 3.6225 -0.0337 -4.9703 0.3372 0.1833 -0.0991 0.2178 0.0745 0.1427 0.3409 0.3887 0.3533 -0.3035 -0.5461 -0.4022 -0.1463 -0.0988 0.0000 -1.0471 0.0000 265.6151 T0342.try1-opt2.repack-nonPC.pdb.gz 188 0.5528 1.5585 1.6183 3.1174 3.1023 3.4736 3.6382 0.0402 -4.8728 0.3372 0.1833 -0.0991 0.1695 0.0745 0.1427 0.3409 0.3887 0.3533 -0.3062 -0.5341 -0.4022 -0.1463 -0.0988 0.0000 -1.0471 0.0000 266.2618 T0342.try9-opt1-scwrl.pdb.gz 188 0.5884 1.6064 1.6396 3.1964 3.2531 3.5907 3.7539 0.3124 -5.3790 0.3632 0.1803 -0.1998 0.3948 0.0106 0.0224 0.4893 0.4302 0.3952 -0.1956 -0.5336 -0.4069 -0.1390 -0.1200 0.0000 0.0000 0.0000 268.0299 T0342.try11-opt2.pdb.gz 188 0.5667 1.6032 1.6645 3.1142 3.0632 3.3980 3.5829 0.9621 -4.7421 0.3628 0.1848 -0.1961 0.2681 0.0798 0.1049 0.3080 0.3049 0.2741 -0.0173 -0.5819 -0.4027 -0.1504 -0.1267 0.0000 -0.4322 0.0000 268.3268 T0342.try4-opt1.pdb.gz 188 0.5755 1.6291 1.7063 3.1329 3.2492 3.6197 3.8229 0.8315 -4.3160 0.3944 0.1376 -0.1021 0.2079 0.0798 0.0437 0.6598 0.6166 0.5627 -0.1893 -0.5195 -0.4106 -0.1257 -0.1092 0.0000 0.0000 0.0000 268.6409 T0342.try12-opt2.gromacs0.repack-nonPC.pdb.gz 188 0.5597 1.6346 1.6525 3.1725 3.1831 3.4891 3.6218 -0.3157 -3.1779 0.5725 0.2884 -0.0443 0.1147 0.1489 0.0951 0.8859 0.9284 0.8635 -0.3773 -0.4906 -0.3541 -0.1314 -0.1074 0.0000 0.0000 0.0000 268.6837 T0342.try6-opt1.pdb.gz 188 0.5399 1.5958 1.6193 3.2482 3.3346 3.5789 3.6711 0.1854 -3.5621 0.4828 0.1462 -0.1120 0.2050 0.0532 0.0237 0.8231 0.7942 0.7450 -0.2115 -0.4512 -0.3586 -0.1282 -0.1006 0.0000 0.0000 0.0000 268.7652 T0342.try12-opt2.repack-nonPC.pdb.gz 188 0.5646 1.6310 1.6622 3.1512 3.1853 3.5062 3.6327 -0.3395 -4.3060 0.4684 0.1469 -0.0890 0.3566 0.1809 0.0576 0.5949 0.5861 0.5663 -0.3759 -0.4860 -0.3669 -0.1366 -0.1104 0.0000 0.0000 0.0000 270.3598 T0342.try12-opt2.pdb.gz 188 0.5558 1.6310 1.6622 3.0673 3.1056 3.4542 3.6185 -0.3971 -4.4969 0.4684 0.1469 -0.0890 0.4472 0.1809 0.0576 0.5949 0.5861 0.5663 -0.3752 -0.5299 -0.3669 -0.1366 -0.1104 0.0000 0.0000 0.0000 271.1667 T0342.try2-opt1.pdb.gz 188 0.5674 1.6277 1.6915 3.1460 3.2541 3.5935 3.7389 0.7321 -4.2587 0.2787 0.1585 -0.0604 0.1875 0.0479 0.0522 0.5712 0.6709 0.6396 0.4762 -0.5368 -0.3934 -0.1361 -0.1066 0.0000 0.0000 0.0000 273.6680 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