# 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 + 6 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 60 * soft_clashes + 2 * backbone_clashes + 150 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 6 * pred_alpha06 + 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 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 T0330.try11-opt2.pdb.gz 233 0.5285 1.6543 1.6538 2.9503 2.9296 3.1954 3.4064 0.5286 -4.9923 0.3606 0.1856 -0.0694 0.0317 0.0086 0.0222 0.0973 0.1226 0.0996 -0.6331 -0.4537 -0.1158 -0.0935 0.0000 150.1416 T0330.try11-opt1.pdb.gz 233 0.5309 1.6646 1.6585 2.9619 2.9384 3.2099 3.4083 0.5273 -4.7212 0.3781 0.2045 -0.0639 0.0428 0.0129 0.0222 0.0993 0.1279 0.1045 -0.5979 -0.4332 -0.1146 -0.0921 0.0000 154.0502 T0330.try8-opt2.pdb.gz 233 0.5441 1.6841 1.6901 2.9493 2.9556 3.2395 3.4290 0.5988 -4.8914 0.3679 0.1760 -0.1121 0.0479 0.0215 0.0128 0.2395 0.3451 0.3167 -0.6249 -0.4576 -0.1162 -0.0912 0.0000 154.2891 T0330.try11-opt2.repack-nonPC.pdb.gz 233 0.5423 1.6543 1.6538 3.0461 2.9609 3.2398 3.4223 0.5543 -4.8955 0.3606 0.1856 -0.0694 0.0458 0.0086 0.0222 0.0973 0.1226 0.0996 -0.6365 -0.4537 -0.1158 -0.0935 0.0000 154.6185 T0330.try10-opt2.pdb.gz 233 0.5484 1.6957 1.7069 2.9262 2.9509 3.1908 3.4102 0.4210 -4.9921 0.3027 0.1803 -0.1177 0.1012 0.0172 0.0225 0.1467 0.2007 0.1952 -0.6275 -0.4565 -0.1172 -0.0937 0.0000 155.0953 T0330.try8-opt2.repack-nonPC.pdb.gz 233 0.5567 1.6841 1.6901 2.9996 2.9787 3.2681 3.4468 0.5972 -4.9765 0.3679 0.1760 -0.1121 0.0493 0.0215 0.0128 0.2395 0.3451 0.3167 -0.6396 -0.4576 -0.1162 -0.0912 0.0000 155.7085 T0330.try12-opt1.pdb 233 0.5293 1.6691 1.6841 2.9332 2.9296 3.1999 3.4107 0.5546 -5.2645 0.2535 0.1763 -0.1059 0.1384 0.0300 0.0419 0.0380 0.0832 0.0556 -0.6235 -0.4498 -0.1124 -0.0928 0.0000 157.0868 T0330.try8-opt1.pdb.gz 233 0.5439 1.6859 1.7028 2.9611 2.9731 3.2472 3.4329 0.6144 -4.7389 0.3997 0.1882 -0.1097 0.0602 0.0172 0.0139 0.2434 0.3399 0.3169 -0.6145 -0.4530 -0.1134 -0.0888 0.0000 157.6291 T0330.try7-opt2.pdb.gz 233 0.5333 1.6711 1.6751 2.9292 2.9222 3.1940 3.4068 0.5420 -5.2609 0.2495 0.1824 -0.1059 0.1481 0.0343 0.0455 0.0428 0.0920 0.0651 -0.6172 -0.4510 -0.1127 -0.0932 0.0000 157.9984 T0330.try7-opt2.repack-nonPC.pdb.gz 233 0.5428 1.6711 1.6751 3.0061 2.9563 3.2230 3.4146 0.5428 -5.2317 0.2495 0.1824 -0.1059 0.1100 0.0343 0.0455 0.0428 0.0920 0.0651 -0.6333 -0.4510 -0.1127 -0.0932 0.0000 158.2659 T0330.try9-opt2.pdb.gz 233 0.5518 1.7118 1.7706 2.9064 2.9997 3.2702 3.4848 0.4123 -4.8647 0.3144 0.1794 -0.0341 0.0332 0.0258 0.0333 0.3107 0.3509 0.3177 -0.6385 -0.4936 -0.1136 -0.0875 0.0000 158.2957 T0330.try10-opt2.repack-nonPC.pdb.gz 233 0.5565 1.6957 1.7069 3.0188 2.9825 3.2344 3.4257 0.4549 -4.9454 0.3027 0.1803 -0.1177 0.1073 0.0172 0.0225 0.1467 0.2007 0.1952 -0.6184 -0.4565 -0.1172 -0.0937 0.0000 158.7276 T0330.try10-opt1.pdb.gz 233 0.5529 1.7059 1.7124 2.9575 2.9639 3.2046 3.4101 0.4352 -4.7170 0.3063 0.1959 -0.1194 0.1130 0.0215 0.0194 0.2009 0.2542 0.2318 -0.5974 -0.4479 -0.1133 -0.0908 0.0000 159.4320 T0330.try9-opt2.repack-nonPC.pdb.gz 233 0.5529 1.7118 1.7706 2.9444 3.0419 3.2859 3.5015 0.4138 -4.8405 0.3144 0.1794 -0.0341 0.0484 0.0258 0.0333 0.3107 0.3509 0.3177 -0.6146 -0.4936 -0.1136 -0.0875 0.0000 161.2209 T0330.try11-opt2.gromacs0.pdb.gz 233 0.5309 1.6745 1.6680 2.9866 2.9471 3.1987 3.4062 0.5299 -4.1111 0.2555 0.2646 -0.0715 0.0213 0.0043 0.0321 0.3798 0.4988 0.4743 -0.6178 -0.4331 -0.1118 -0.0907 0.0000 162.0166 T0330.try11-opt2.gromacs0.repack-nonPC.pdb.gz 233 0.5417 1.6745 1.6680 3.0660 2.9750 3.2316 3.4129 0.5089 -4.3744 0.2555 0.2646 -0.0715 0.0254 0.0043 0.0321 0.3798 0.4988 0.4743 -0.6080 -0.4331 -0.1118 -0.0907 0.0000 163.1262 T0330.try10-opt2.gromacs0.pdb.gz 233 0.5521 1.6922 1.7186 2.9657 2.9657 3.2094 3.4116 0.4253 -4.0573 0.2228 0.2592 -0.0882 0.0360 0.0086 0.0242 0.4742 0.5916 0.5755 -0.6000 -0.4381 -0.1136 -0.0895 0.0000 163.4842 T0330.try5-opt2.repack-nonPC.pdb.gz 233 0.5506 1.6976 1.7000 2.9898 2.9556 3.2530 3.4437 0.5846 -5.2052 0.3211 0.1580 -0.1094 0.1715 0.0773 0.0462 0.0852 0.1502 0.1362 -0.6340 -0.4681 -0.1190 -0.0897 0.0000 163.6821 T0330.try5-opt2.pdb.gz 233 0.5384 1.6976 1.7000 2.9084 2.9393 3.2300 3.4251 0.5925 -5.5378 0.3211 0.1580 -0.1094 0.2446 0.0773 0.0462 0.0852 0.1502 0.1362 -0.6128 -0.4681 -0.1190 -0.0897 0.0000 164.0247 T0330.try9-opt1.pdb.gz 233 0.5585 1.7233 1.7895 2.9261 3.0069 3.2732 3.4895 0.4113 -4.3377 0.3014 0.1881 0.0176 0.0413 0.0258 0.0285 0.4489 0.5131 0.4539 -0.6365 -0.4795 -0.1116 -0.0863 0.0000 164.0487 T0330.try7-opt2.gromacs0.pdb.gz 233 0.5335 1.6816 1.6722 2.9670 2.9491 3.2079 3.4116 0.5454 -4.0042 0.2508 0.2619 -0.0467 0.0390 0.0172 0.0339 0.3694 0.4915 0.4663 -0.5985 -0.4288 -0.1125 -0.0913 0.0000 164.0822 T0330.try10-opt2.gromacs0.repack-nonPC.pdb.gz 233 0.5608 1.6922 1.7186 3.0131 2.9790 3.2515 3.4278 0.4541 -4.2700 0.2228 0.2592 -0.0882 0.0400 0.0086 0.0242 0.4742 0.5916 0.5755 -0.6064 -0.4381 -0.1136 -0.0895 0.0000 164.2985 T0330.try8-opt2.gromacs0.pdb.gz 233 0.5471 1.6996 1.6784 2.9865 2.9821 3.2471 3.4312 0.5981 -4.0044 0.2599 0.2627 -0.0773 0.0226 0.0086 0.0213 0.4682 0.5867 0.5690 -0.5983 -0.4345 -0.1131 -0.0879 0.0000 164.4167 T0330.try7-opt2.gromacs0.repack-nonPC.pdb.gz 233 0.5500 1.6816 1.6722 3.0414 2.9686 3.2484 3.4279 0.5710 -4.2364 0.2508 0.2619 -0.0467 0.0337 0.0172 0.0339 0.3694 0.4915 0.4663 -0.6065 -0.4288 -0.1125 -0.0913 0.0000 164.8249 T0330.try8-opt2.gromacs0.repack-nonPC.pdb.gz 233 0.5607 1.6996 1.6784 3.0222 2.9972 3.2745 3.4480 0.5842 -4.1890 0.2599 0.2627 -0.0773 0.0272 0.0086 0.0213 0.4682 0.5867 0.5690 -0.6170 -0.4345 -0.1131 -0.0879 0.0000 164.9965 T0330.try7-opt1.pdb.gz 233 0.5370 1.6691 1.6593 2.9661 2.9660 3.2378 3.4257 0.6880 -4.9313 0.2673 0.2040 -0.0815 0.1679 0.0300 0.0517 0.0689 0.1349 0.1093 -0.6038 -0.4541 -0.1111 -0.0914 0.0000 165.6556 T0330.try11-opt1-scwrl.pdb.gz 233 0.5547 1.6646 1.6585 3.0610 2.9925 3.2294 3.4238 0.4935 -5.3326 0.3781 0.2045 -0.0639 0.2691 0.0129 0.0222 0.0993 0.1279 0.1045 -0.5825 -0.4332 -0.1146 -0.0921 0.0000 167.2627 T0330.try5-opt2.gromacs0.pdb.gz 233 0.5443 1.7067 1.7028 2.9852 2.9739 3.2500 3.4321 0.5948 -4.0049 0.2688 0.2478 -0.0750 0.0551 0.0129 0.0306 0.4695 0.5862 0.5677 -0.6079 -0.4450 -0.1115 -0.0856 0.0000 167.8004 T0330.try8-opt1-scwrl.pdb.gz 233 0.5554 1.6859 1.7028 3.0371 3.0129 3.2648 3.4489 0.5763 -5.3054 0.3997 0.1882 -0.1097 0.2477 0.0172 0.0139 0.2434 0.3399 0.3169 -0.6062 -0.4530 -0.1134 -0.0888 0.0000 167.8943 T0330.try6-opt2.repack-nonPC.pdb.gz 233 0.5615 1.7244 1.7608 2.9508 3.0326 3.2939 3.4953 0.4323 -4.8060 0.3915 0.1298 -0.0348 0.1047 0.0558 0.0761 0.0896 0.0995 0.1061 -0.6521 -0.4949 -0.1158 -0.0867 0.0000 168.9049 T0330.try6-opt2.pdb.gz 233 0.5589 1.7244 1.7608 2.8879 2.9772 3.2564 3.4760 0.4150 -5.0186 0.3915 0.1298 -0.0348 0.1769 0.0558 0.0761 0.0896 0.0995 0.1061 -0.6473 -0.4949 -0.1158 -0.0867 0.0000 169.2056 T0330.try9-opt2.gromacs0.pdb.gz 233 0.5554 1.7211 1.7861 2.9334 3.0141 3.2726 3.4869 0.4102 -3.6879 0.2150 0.2535 -0.0030 0.0166 0.0129 0.0253 0.7424 0.8344 0.7619 -0.6319 -0.4759 -0.1096 -0.0846 0.0000 169.6503 T0330.try5-opt1.pdb.gz 233 0.5409 1.6928 1.7050 2.9508 2.9626 3.2503 3.4276 0.5915 -5.5198 0.3369 0.1612 -0.1121 0.2817 0.0687 0.0514 0.1036 0.1675 0.1545 -0.5992 -0.4626 -0.1153 -0.0843 0.0000 169.7062 T0330.try12-opt1-scwrl.pdb 233 0.5507 1.6691 1.6841 3.0373 2.9879 3.2249 3.4238 0.5369 -5.5077 0.2535 0.1763 -0.1059 0.3235 0.0300 0.0419 0.0380 0.0832 0.0556 -0.5852 -0.4498 -0.1124 -0.0928 0.0000 170.3814 T0330.try10-opt1-scwrl.pdb.gz 233 0.5592 1.7059 1.7124 3.0367 2.9952 3.2278 3.4294 0.4064 -5.3882 0.3063 0.1959 -0.1194 0.3290 0.0215 0.0194 0.2009 0.2542 0.2318 -0.5715 -0.4479 -0.1133 -0.0908 0.0000 170.7849 T0330.try9-opt2.gromacs0.repack-nonPC.pdb.gz 233 0.5592 1.7211 1.7861 2.9778 3.0513 3.2891 3.5036 0.4103 -3.6172 0.2150 0.2535 -0.0030 0.0238 0.0129 0.0253 0.7424 0.8344 0.7619 -0.6217 -0.4759 -0.1096 -0.0846 0.0000 172.3558 T0330.try2-opt2.gromacs0.pdb.gz 233 0.5433 1.7038 1.6831 3.0460 3.0109 3.2662 3.4356 0.5987 -3.9798 0.3819 0.2656 -0.0725 0.0745 0.0429 0.0478 0.4123 0.5098 0.4801 -0.6128 -0.4514 -0.1100 -0.0823 0.0000 173.8242 T0330.try2-opt2.repack-nonPC.pdb.gz 233 0.5572 1.6976 1.7072 3.0178 2.9964 3.2621 3.4329 0.6018 -5.1671 0.2796 0.1789 -0.1171 0.1947 0.0644 0.0914 0.0681 0.1242 0.1099 -0.6294 -0.4687 -0.1146 -0.0838 0.0000 174.0972 T0330.try6-opt1.pdb.gz 233 0.5574 1.7123 1.7661 2.9218 2.9932 3.2712 3.4826 0.4351 -4.9716 0.4284 0.1297 -0.0276 0.2195 0.0300 0.0782 0.1199 0.1507 0.1488 -0.6304 -0.4858 -0.1130 -0.0852 0.0000 174.4898 T0330.try2-opt2.pdb.gz 233 0.5453 1.6976 1.7072 2.9901 2.9855 3.2495 3.4304 0.6008 -5.6948 0.2796 0.1789 -0.1171 0.2826 0.0644 0.0914 0.0681 0.1242 0.1099 -0.6074 -0.4687 -0.1146 -0.0838 0.0000 175.3012 T0330.try6-opt2.gromacs0.pdb.gz 233 0.5621 1.7287 1.7886 2.9309 3.0107 3.2631 3.4804 0.4140 -3.4569 0.2666 0.2463 0.0523 0.0401 0.0300 0.0530 0.7041 0.8009 0.7319 -0.6340 -0.4830 -0.1120 -0.0844 0.0000 176.4626 T0330.try5-opt1-scwrl.pdb.gz 233 0.5612 1.6928 1.7050 3.0489 2.9927 3.2566 3.4340 0.5223 -5.7322 0.3369 0.1612 -0.1121 0.3858 0.0687 0.0514 0.1036 0.1675 0.1545 -0.6065 -0.4626 -0.1153 -0.0843 0.0000 177.0040 T0330.try9-opt1-scwrl.pdb.gz 233 0.5679 1.7233 1.7895 3.0394 3.0360 3.2834 3.5045 0.4142 -4.9099 0.3014 0.1881 0.0176 0.3142 0.0258 0.0285 0.4489 0.5131 0.4539 -0.6084 -0.4795 -0.1116 -0.0863 0.0000 179.7912 T0330.try7-opt1-scwrl.pdb.gz 233 0.5519 1.6691 1.6593 3.0649 3.0207 3.2473 3.4364 0.6603 -5.4675 0.2673 0.2040 -0.0815 0.4139 0.0300 0.0517 0.0689 0.1349 0.1093 -0.6005 -0.4541 -0.1111 -0.0914 0.0000 180.1575 T0330.try4-opt2.repack-nonPC.pdb.gz 233 0.5606 1.7068 1.7720 3.0240 3.0439 3.2934 3.5014 0.4977 -4.5182 0.3887 0.1481 -0.0125 0.1196 0.0215 0.1168 0.0930 0.1160 0.1119 -0.6012 -0.4869 -0.1081 -0.0846 0.0000 180.2899 T0330.try1-opt2.repack-nonPC.pdb.gz 233 0.5668 1.7425 1.7973 2.9943 3.0686 3.3401 3.5180 0.5106 -4.6370 0.3448 0.1506 0.0220 0.1157 0.0429 0.1114 0.1734 0.2036 0.1955 -0.5965 -0.4669 -0.1100 -0.0894 0.0000 180.3008 T0330.try1-opt2.pdb.gz 233 0.5759 1.7425 1.7973 2.9710 3.0269 3.3285 3.5174 0.4797 -5.1231 0.3448 0.1506 0.0220 0.1888 0.0429 0.1114 0.1734 0.2036 0.1955 -0.5966 -0.4669 -0.1100 -0.0894 0.0000 180.4867 T0330.try4-opt2.pdb.gz 233 0.5621 1.7068 1.7720 2.9725 3.0126 3.2737 3.4894 0.4841 -4.9109 0.3887 0.1481 -0.0125 0.2238 0.0215 0.1168 0.0930 0.1160 0.1119 -0.6355 -0.4869 -0.1081 -0.0846 0.0000 182.2528 T0330.try1-opt2.gromacs0.pdb.gz 233 0.5795 1.7651 1.8018 3.0038 3.0397 3.3438 3.5205 0.4771 -3.5976 0.3289 0.2573 0.0604 0.0415 0.0215 0.0717 0.7337 0.8163 0.7785 -0.5935 -0.4468 -0.1066 -0.0860 0.0000 183.7195 T0330.try4-opt2.gromacs0.pdb.gz 233 0.5644 1.7278 1.7805 3.0107 3.0468 3.2872 3.4952 0.4843 -3.5684 0.5618 0.2630 0.0303 0.0637 0.0644 0.0895 0.6041 0.6813 0.6156 -0.6295 -0.4724 -0.1063 -0.0834 0.0000 186.1500 T0330.try3-opt2.repack-nonPC.pdb.gz 233 0.5483 1.6329 1.7054 3.1078 3.1544 3.4134 3.6317 0.9693 -4.9565 0.3330 0.1673 -0.0854 0.1435 0.0644 0.1291 0.0787 0.0574 0.0669 -0.5358 -0.4204 -0.1026 -0.0865 0.0000 187.2052 T0330.try3-opt2.pdb.gz 233 0.5507 1.6329 1.7054 3.0628 3.0941 3.3869 3.6228 0.9133 -5.4534 0.3330 0.1673 -0.0854 0.2372 0.0644 0.1291 0.0787 0.0574 0.0669 -0.5585 -0.4204 -0.1026 -0.0865 0.0000 187.3312 T0330.try6-opt1-scwrl.pdb.gz 233 0.5726 1.7123 1.7661 3.0322 3.0559 3.2987 3.4950 0.4194 -5.2947 0.4284 0.1297 -0.0276 0.4206 0.0300 0.0782 0.1199 0.1507 0.1488 -0.6173 -0.4858 -0.1130 -0.0852 0.0000 188.2597 T0330.try2-opt1-scwrl.pdb.gz 233 0.5599 1.7338 1.7264 3.1106 3.0371 3.3007 3.4477 0.5657 -5.5826 0.2410 0.1934 -0.1056 0.3529 0.0558 0.1022 0.1246 0.1827 0.1538 -0.5773 -0.4447 -0.1012 -0.0747 0.0000 188.3950 T0330.try2-opt1.pdb.gz 233 0.5577 1.7338 1.7264 3.0688 3.0344 3.3053 3.4477 0.5754 -5.5529 0.2410 0.1934 -0.1056 0.3783 0.0558 0.1022 0.1246 0.1827 0.1538 -0.5784 -0.4447 -0.1012 -0.0747 0.0000 189.4667 T0330.try3-opt2.gromacs0.pdb.gz 233 0.5524 1.6522 1.7171 3.1088 3.1303 3.3891 3.6269 0.9144 -3.7264 0.5459 0.2881 -0.0703 0.0621 0.0858 0.1034 0.4997 0.4744 0.4418 -0.5665 -0.4134 -0.0999 -0.0854 0.0000 191.5839 T0330.try4-opt1.pdb.gz 233 0.5695 1.7348 1.7730 3.0606 3.0530 3.3085 3.5048 0.5419 -4.8743 0.3883 0.1385 0.0165 0.3107 0.0215 0.1096 0.4073 0.4532 0.3891 -0.5907 -0.4694 -0.1046 -0.0815 0.0000 193.6015 T0330.try1-opt1.pdb.gz 233 0.5759 1.7488 1.7997 3.0496 3.0625 3.3441 3.5331 0.5369 -4.8230 0.3282 0.1414 0.0261 0.2931 0.0558 0.1263 0.3901 0.4462 0.4119 -0.5936 -0.4597 -0.1041 -0.0838 0.0000 196.1547 T0330.try4-opt1-scwrl.pdb.gz 233 0.5738 1.7348 1.7730 3.0817 3.0699 3.3045 3.5098 0.5287 -4.9264 0.3883 0.1385 0.0165 0.4159 0.0215 0.1096 0.4073 0.4532 0.3891 -0.5977 -0.4694 -0.1046 -0.0815 0.0000 200.2271 T0330.try1-opt1-scwrl.pdb.gz 233 0.5795 1.7488 1.7997 3.0531 3.0887 3.3540 3.5301 0.4989 -4.8562 0.3282 0.1414 0.0261 0.3942 0.0558 0.1263 0.3901 0.4462 0.4119 -0.5974 -0.4597 -0.1041 -0.0838 0.0000 202.6863 T0330.try3-opt1.pdb.gz 233 0.5526 1.6606 1.7209 3.1503 3.1452 3.4154 3.6467 1.0327 -5.2843 0.3282 0.1602 -0.0812 0.3490 0.0815 0.1355 0.2548 0.2548 0.2480 -0.5133 -0.4029 -0.0928 -0.0786 0.0000 202.8568 T0330.try3-opt1-scwrl.pdb.gz 233 0.5539 1.6606 1.7209 3.1704 3.1653 3.4244 3.6532 1.0279 -5.4018 0.3282 0.1602 -0.0812 0.4444 0.0815 0.1355 0.2548 0.2548 0.2480 -0.5088 -0.4029 -0.0928 -0.0786 0.0000 208.7725