# 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) + 6 * phobic_fit + 7 * sidechain + 10 * n_ca_c + 10 * bad_peptide + 10 * bystroff + 80 * soft_clashes + 20 * backbone_clashes + 300 * break + 1 * pred_alpha2k + 2 * pred_alpha04 + 3 * 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 T0292.try5-opt2.pdb.gz 277 0.5249 1.6258 1.6299 3.0247 3.0237 3.2498 3.4324 0.2068 -4.9429 0.2298 0.1128 -0.0827 0.0305 0.0000 0.0153 0.3361 0.4013 0.3784 -0.6722 -0.4264 -0.1278 -0.0812 0.0000 152.3160 T0292.try6-opt2.pdb.gz 277 0.5271 1.6556 1.6724 3.0150 2.9776 3.2255 3.4479 0.1584 -4.8669 0.2835 0.1031 -0.1080 0.0692 0.0000 0.0075 0.3247 0.3793 0.3675 -0.6599 -0.4105 -0.1226 -0.0792 0.0000 153.1352 T0292.try5-opt1.pdb.gz 277 0.5270 1.6297 1.6376 3.0374 3.0335 3.2562 3.4387 0.2207 -4.8004 0.2399 0.1166 -0.0772 0.0337 0.0000 0.0156 0.3522 0.4301 0.4047 -0.6546 -0.4197 -0.1257 -0.0797 0.0000 155.1082 T0292.try6-opt1.pdb.gz 277 0.5267 1.6580 1.6728 3.0317 2.9831 3.2314 3.4529 0.1573 -4.7628 0.2973 0.1041 -0.1052 0.0900 0.0036 0.0076 0.3245 0.3791 0.3672 -0.6579 -0.4094 -0.1224 -0.0791 0.0000 156.3043 T0292.try4-opt2.pdb.gz 277 0.5288 1.6195 1.6392 3.0387 3.0348 3.2585 3.4448 0.2526 -4.7647 0.2263 0.1274 -0.0710 0.0363 0.0000 0.0174 0.3345 0.4087 0.3826 -0.6347 -0.4085 -0.1233 -0.0783 0.0000 156.7620 T0292.try5-opt2.repack-nonPC.pdb.gz 277 0.5320 1.6258 1.6299 3.0461 3.0826 3.2746 3.4450 0.2262 -4.6634 0.2298 0.1128 -0.0827 0.0331 0.0000 0.0153 0.3361 0.4013 0.3784 -0.6388 -0.4264 -0.1278 -0.0812 0.0000 156.8130 T0292.try6-opt2.repack-nonPC.pdb.gz 277 0.5369 1.6556 1.6724 3.0611 3.0529 3.2497 3.4513 0.1712 -4.4222 0.2835 0.1031 -0.1080 0.0584 0.0000 0.0075 0.3247 0.3793 0.3675 -0.6256 -0.4105 -0.1226 -0.0792 0.0000 158.3527 T0292.try6-opt2.gromacs0.pdb.gz 277 0.5268 1.6641 1.6969 3.0587 3.0029 3.2374 3.4540 0.1571 -4.1327 0.1577 0.2104 -0.0673 0.0194 0.0036 0.0101 0.5175 0.6166 0.5835 -0.6559 -0.3978 -0.1197 -0.0769 0.0000 158.7227 T0292.try5-opt2.gromacs0.pdb.gz 277 0.5266 1.6400 1.6504 3.0585 3.0532 3.2629 3.4364 0.2035 -4.2521 0.1614 0.2026 -0.0724 0.0115 0.0036 0.0142 0.5019 0.6104 0.5697 -0.6689 -0.4056 -0.1256 -0.0764 0.0000 159.1636 T0292.try4-opt2.repack-nonPC.pdb.gz 277 0.5383 1.6195 1.6392 3.0679 3.0825 3.2780 3.4554 0.2633 -4.4706 0.2263 0.1274 -0.0710 0.0402 0.0000 0.0174 0.3345 0.4087 0.3826 -0.6174 -0.4085 -0.1233 -0.0783 0.0000 161.1600 T0292.try4-opt1.pdb.gz 277 0.5247 1.6435 1.6453 3.0904 3.0775 3.2827 3.4564 0.2610 -4.6339 0.2094 0.1303 -0.0681 0.0650 0.0036 0.0146 0.3931 0.4704 0.4403 -0.6112 -0.3994 -0.1208 -0.0771 0.0000 162.0833 T0292.try4-opt2.gromacs0.pdb.gz 277 0.5290 1.6345 1.6615 3.0674 3.0554 3.2675 3.4472 0.2512 -4.1865 0.1579 0.2129 -0.0460 0.0117 0.0000 0.0175 0.5108 0.6174 0.5770 -0.6335 -0.3972 -0.1204 -0.0736 0.0000 162.3679 chimera-try5-server.pdb.gz 277 0.5301 1.6434 1.6839 3.0658 3.0029 3.2371 3.4406 0.2056 -4.8680 0.2475 0.1166 -0.1010 0.2235 0.1047 0.0219 0.2729 0.3188 0.3105 -0.6707 -0.4123 -0.1239 -0.0822 0.0000 172.6713 T0292.try3-opt2.pdb.gz 277 0.5260 1.6375 1.7004 3.0930 3.0521 3.2709 3.4902 0.8161 -4.8491 0.6117 0.1471 -0.0445 0.0746 0.0325 0.0493 0.1701 0.1878 0.1784 -0.5968 -0.4127 -0.1139 -0.0752 0.0000 178.7921 T0292.try4-opt1-scwrl.pdb.gz 277 0.5353 1.6435 1.6453 3.1600 3.1048 3.2844 3.4565 0.2361 -4.8229 0.2094 0.1303 -0.0681 0.2886 0.0036 0.0146 0.3931 0.4704 0.4403 -0.5631 -0.3994 -0.1208 -0.0771 0.0000 180.5193 T0292.try5-opt1-scwrl.pdb.gz 277 0.5435 1.6297 1.6376 3.1626 3.1114 3.2836 3.4451 0.2024 -4.9893 0.2399 0.1166 -0.0772 0.3172 0.0000 0.0156 0.3522 0.4301 0.4047 -0.5855 -0.4197 -0.1257 -0.0797 0.0000 180.8256 T0292.try6-opt1-scwrl.pdb.gz 277 0.5474 1.6580 1.6728 3.1589 3.0665 3.2557 3.4546 0.1346 -4.9503 0.2973 0.1041 -0.1052 0.3578 0.0036 0.0076 0.3245 0.3791 0.3672 -0.5890 -0.4094 -0.1224 -0.0791 0.0000 180.8878 T0292.try3-opt2.repack-nonPC.pdb.gz 277 0.5343 1.6375 1.7004 3.1084 3.0689 3.2799 3.4877 0.8099 -4.7224 0.6117 0.1471 -0.0445 0.0867 0.0325 0.0493 0.1701 0.1878 0.1784 -0.6045 -0.4127 -0.1139 -0.0752 0.0000 181.3845 T0292.try3-opt2.gromacs0.pdb.gz 277 0.5304 1.6457 1.7105 3.1217 3.0790 3.2774 3.4945 0.8138 -3.5816 0.2682 0.2251 -0.0199 0.0214 0.0253 0.0404 0.5863 0.6871 0.6761 -0.6160 -0.4039 -0.1103 -0.0719 0.0000 182.8410 T0292.try3-opt1.pdb.gz 277 0.5272 1.6372 1.7053 3.1181 3.0608 3.2769 3.4902 0.8391 -4.6269 0.6347 0.1485 -0.0353 0.0973 0.0433 0.0511 0.1857 0.2085 0.1941 -0.5883 -0.4081 -0.1125 -0.0760 0.0000 184.2403 T0292.try2-opt2.gromacs0.pdb.gz 277 0.5283 1.6424 1.6993 3.1342 3.0705 3.2769 3.4971 0.8949 -3.5279 0.2807 0.2358 -0.0455 0.0338 0.0144 0.0478 0.5871 0.6878 0.6769 -0.5889 -0.4035 -0.1045 -0.0666 0.0000 187.5445 T0292.try2-opt2.repack-nonPC.pdb.gz 277 0.5295 1.6270 1.6888 3.1296 3.0674 3.2776 3.4945 0.8914 -4.5031 0.6393 0.1559 -0.0157 0.1085 0.0397 0.0611 0.1458 0.1766 0.1606 -0.5962 -0.4094 -0.1116 -0.0726 0.0000 189.9579 T0292.try2-opt2.pdb.gz 277 0.5288 1.6270 1.6888 3.1109 3.0426 3.2762 3.4919 0.8971 -4.7976 0.6393 0.1559 -0.0157 0.1544 0.0397 0.0611 0.1458 0.1766 0.1606 -0.5631 -0.4094 -0.1116 -0.0726 0.0000 190.9466 T0292.try1-opt2.gromacs0.pdb.gz 277 0.5417 1.6613 1.7111 3.1080 3.0710 3.3561 3.5188 0.8611 -3.3494 0.5302 0.2500 -0.0556 0.0539 0.0289 0.0648 0.5184 0.6362 0.6384 -0.6161 -0.4013 -0.1222 -0.0898 0.0000 195.7831 T0292.try1-opt2.repack-nonPC.pdb.gz 277 0.5327 1.6559 1.6905 3.1520 3.1163 3.3854 3.5196 0.9203 -4.4713 0.4732 0.1634 -0.0646 0.1320 0.0614 0.0816 0.2129 0.2916 0.2822 -0.6049 -0.4139 -0.1250 -0.0905 0.0000 198.0937 T0292.try3-opt1-scwrl.pdb.gz 277 0.5416 1.6372 1.7053 3.1747 3.0949 3.2838 3.4840 0.8355 -4.9883 0.6347 0.1485 -0.0353 0.2787 0.0433 0.0511 0.1857 0.2085 0.1941 -0.5597 -0.4081 -0.1125 -0.0760 0.0000 198.1655 T0292.try1-opt2.pdb.gz 277 0.5392 1.6559 1.6905 3.0923 3.0440 3.3473 3.5158 0.8640 -4.6310 0.4732 0.1634 -0.0646 0.2217 0.0614 0.0816 0.2129 0.2916 0.2822 -0.6164 -0.4139 -0.1250 -0.0905 0.0000 200.9214 T0292.try2-opt1.pdb.gz 277 0.5312 1.6379 1.6933 3.1612 3.0954 3.2984 3.5089 0.8931 -4.4996 0.6416 0.1571 0.0013 0.2535 0.0578 0.0540 0.2588 0.2855 0.2825 -0.5606 -0.3905 -0.1086 -0.0718 0.0000 202.8379 T0292.try2-opt1-scwrl.pdb.gz 277 0.5390 1.6379 1.6933 3.1963 3.1206 3.2995 3.5019 0.8998 -4.6298 0.6416 0.1571 0.0013 0.3268 0.0578 0.0540 0.2588 0.2855 0.2825 -0.5600 -0.3905 -0.1086 -0.0718 0.0000 208.9605 T0292.try1-opt1.pdb.gz 277 0.5510 1.6620 1.7102 3.1602 3.1119 3.3824 3.5263 0.9190 -4.4848 0.4593 0.1732 -0.0314 0.3095 0.0542 0.1037 0.2855 0.3624 0.3564 -0.5856 -0.4093 -0.1238 -0.0853 0.0000 220.5503 T0292.try1-opt1-scwrl.pdb.gz 277 0.5526 1.6620 1.7102 3.1825 3.1315 3.3977 3.5292 0.9081 -4.7578 0.4593 0.1732 -0.0314 0.3968 0.0542 0.1037 0.2855 0.3624 0.3564 -0.5619 -0.4093 -0.1238 -0.0853 0.0000 226.6655