# 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 + 10 * 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 T0344.try30-opt2.pdb.gz 229 0.5466 1.6924 1.7313 3.0604 3.1689 3.5695 3.6772 1.4128 -4.7803 0.2351 0.1165 -0.1849 0.1095 0.0699 0.0188 0.4920 0.5213 0.5531 -0.2277 -0.4676 -0.3738 -0.1387 -0.1171 0.0000 166.2708 T0344.try34-opt2.pdb.gz 229 0.6032 1.8404 1.8561 3.0062 3.1217 3.5380 3.6917 1.2278 -4.8014 0.4066 0.1272 -0.0686 0.2538 0.1048 0.0568 0.3560 0.3652 0.3504 -0.2633 -0.5037 -0.4066 -0.1635 -0.1326 0.0000 167.6099 T0344.try10-opt2.pdb.gz 229 0.5299 1.6337 1.6554 3.0407 3.1779 3.6309 3.7599 2.7041 -5.1449 0.1410 0.0844 -0.1937 0.1455 0.0437 0.0150 0.4672 0.6133 0.5555 -0.3704 -0.4825 -0.3916 -0.1169 -0.1015 0.0000 168.0765 T0344.try30-opt1.pdb.gz 229 0.5522 1.6781 1.7433 3.1125 3.1940 3.5944 3.6955 1.5295 -4.7646 0.2358 0.1154 -0.1843 0.0975 0.0699 0.0195 0.4986 0.5237 0.5505 -0.2362 -0.4629 -0.3672 -0.1366 -0.1194 0.0000 168.0961 T0344.try8-opt2.pdb.gz 229 0.5309 1.6366 1.6559 3.0758 3.1672 3.5123 3.6603 0.9088 -5.0525 0.1738 0.1125 -0.2017 0.1281 0.0568 0.0228 0.3629 0.5508 0.4944 -0.2209 -0.4452 -0.3710 -0.0879 -0.0791 0.0000 168.6143 T0344.try29-opt2.pdb.gz 229 0.5481 1.6940 1.7415 3.1341 3.2213 3.6344 3.7209 1.7407 -4.7849 0.2367 0.1149 -0.1843 0.0755 0.0611 0.0183 0.4978 0.5229 0.5497 -0.2321 -0.4531 -0.3724 -0.1361 -0.1181 0.0000 169.6877 T0344.try34-opt2.repack-nonPC.pdb.gz 229 0.6014 1.8404 1.8561 3.1186 3.2022 3.5716 3.7011 1.2792 -4.7436 0.4066 0.1272 -0.0686 0.1806 0.1048 0.0568 0.3560 0.3652 0.3504 -0.2657 -0.4871 -0.4066 -0.1635 -0.1326 0.0000 170.4166 T0344.try30-opt2.repack-nonPC.pdb.gz 229 0.5535 1.6924 1.7313 3.1446 3.2394 3.6038 3.6934 1.4436 -4.5660 0.2351 0.1165 -0.1849 0.0890 0.0699 0.0188 0.4920 0.5213 0.5531 -0.2287 -0.4508 -0.3738 -0.1387 -0.1171 0.0000 170.4397 T0344.try34-opt1.pdb.gz 229 0.6059 1.8286 1.8489 3.0662 3.1392 3.5587 3.7044 1.2829 -4.9671 0.5165 0.1328 -0.0655 0.3015 0.1092 0.0676 0.3626 0.3738 0.3590 -0.2762 -0.5029 -0.4052 -0.1639 -0.1331 0.0000 170.4554 T0344.try10-opt2.repack-nonPC.pdb.gz 229 0.5311 1.6337 1.6554 3.0923 3.2159 3.6591 3.7752 2.7546 -4.9488 0.1410 0.0844 -0.1937 0.1349 0.0437 0.0150 0.4672 0.6133 0.5555 -0.3712 -0.4677 -0.3916 -0.1169 -0.1015 0.0000 171.0648 T0344.try5-opt2.pdb.gz 229 0.5610 1.7382 1.7748 3.1047 3.1874 3.3724 3.5213 -0.0864 -4.4817 0.4257 0.1064 -0.0373 0.1819 0.0349 0.0446 0.6035 0.6245 0.6236 -0.1300 -0.5207 -0.3722 -0.1133 -0.0991 0.0000 171.3560 T0344.try12-opt2.pdb.gz 229 0.5497 1.6689 1.6978 3.0586 3.1262 3.5451 3.6935 2.4457 -5.3769 0.1148 0.0925 -0.1481 0.1486 0.0437 0.0181 0.5050 0.6342 0.5762 -0.1244 -0.4529 -0.3444 -0.0888 -0.0816 0.0000 171.7344 T0344.try10-opt2.gromacs0.pdb.gz 229 0.5316 1.6436 1.6590 3.0935 3.2010 3.6433 3.7607 2.7055 -4.7327 0.1250 0.1998 -0.1749 0.0372 0.0349 0.0140 0.6625 0.8230 0.7597 -0.3757 -0.4891 -0.3914 -0.1169 -0.1006 0.0000 171.8364 T0344.try8-opt2.repack-nonPC.pdb.gz 229 0.5548 1.6366 1.6559 3.1793 3.2283 3.5514 3.6659 0.9395 -4.9156 0.1738 0.1125 -0.2017 0.0981 0.0568 0.0228 0.3629 0.5508 0.4944 -0.2260 -0.4515 -0.3710 -0.0879 -0.0791 0.0000 172.4276 T0344.try9-opt2.pdb.gz 229 0.5340 1.7698 1.7770 3.0279 3.0794 3.4176 3.5620 0.1261 -4.3815 0.2726 0.0942 -0.0073 0.1848 0.0175 0.0290 0.8422 0.8330 0.7523 0.1549 -0.4645 -0.3683 -0.1176 -0.0961 0.0000 172.5214 T0344.try29-opt1.pdb.gz 229 0.5472 1.6994 1.7419 3.1491 3.2488 3.6471 3.7266 1.7846 -4.6612 0.2407 0.1145 -0.1809 0.1070 0.0611 0.0210 0.4969 0.5229 0.5497 -0.2349 -0.4342 -0.3639 -0.1327 -0.1149 0.0000 172.8429 T0344.try10-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5356 1.6436 1.6590 3.1340 3.2247 3.6706 3.7786 2.7588 -4.8022 0.1250 0.1998 -0.1749 0.0339 0.0349 0.0140 0.6625 0.8230 0.7597 -0.3754 -0.4680 -0.3914 -0.1169 -0.1006 0.0000 173.2785 T0344.try6-opt2.pdb.gz 229 0.5520 1.6699 1.6893 3.0629 3.1712 3.5460 3.6503 0.5027 -5.1037 0.1457 0.0981 -0.2025 0.1661 0.0568 0.0174 0.5849 0.7050 0.6694 -0.1931 -0.4144 -0.3178 -0.0711 -0.0613 0.0000 173.4224 T0344.try27-opt2.pdb.gz 229 0.5148 1.6985 1.6983 3.0661 3.1103 3.5549 3.7251 1.5701 -5.1525 0.2908 0.1519 -0.2137 0.3605 0.2445 0.0640 0.2330 0.3257 0.3321 -0.2174 -0.4976 -0.3979 -0.1063 -0.0942 0.0000 173.4391 T0344.try29-opt2.repack-nonPC.pdb.gz 229 0.5521 1.6940 1.7415 3.1721 3.2893 3.6823 3.7401 1.7453 -4.5686 0.2367 0.1149 -0.1843 0.0698 0.0611 0.0183 0.4978 0.5229 0.5497 -0.2303 -0.4394 -0.3724 -0.1361 -0.1181 0.0000 173.5570 T0344.try10-opt1.pdb.gz 229 0.5352 1.6434 1.6585 3.1054 3.2038 3.6409 3.7695 2.7063 -4.9767 0.0875 0.0785 -0.1879 0.1789 0.0524 0.0093 0.5482 0.7128 0.6519 -0.3629 -0.4309 -0.3599 -0.1062 -0.0909 0.0000 173.6559 T0344.try26-opt2.pdb.gz 229 0.5155 1.6810 1.6946 3.0829 3.1387 3.5773 3.7332 1.6484 -5.2764 0.2542 0.1424 -0.2305 0.3095 0.1572 0.0599 0.2331 0.3191 0.3284 -0.2033 -0.4866 -0.3894 -0.0978 -0.0864 0.0000 173.7809 T0344.try8-opt2.gromacs0.pdb.gz 229 0.5346 1.6471 1.6691 3.1114 3.1853 3.5206 3.6614 0.9096 -4.4323 0.1403 0.2087 -0.1973 0.0282 0.0087 0.0158 0.6660 0.8634 0.7871 -0.2336 -0.4472 -0.3543 -0.0815 -0.0689 0.0000 174.4756 T0344.try27-opt1.pdb.gz 229 0.5156 1.6884 1.7038 3.0923 3.1235 3.5673 3.7312 1.5920 -5.2068 0.2737 0.1433 -0.2348 0.3517 0.2445 0.0581 0.2449 0.3421 0.3468 -0.1979 -0.4723 -0.3867 -0.1011 -0.0896 0.0000 174.5636 T0344.try30-opt1-scwrl.pdb.gz 229 0.5665 1.6781 1.7433 3.2052 3.2675 3.6333 3.7108 1.5484 -5.2439 0.2358 0.1154 -0.1843 0.3535 0.0699 0.0195 0.4986 0.5237 0.5505 -0.2366 -0.4364 -0.3672 -0.1366 -0.1194 0.0000 174.7214 T0344.try34-opt1-scwrl.pdb.gz 229 0.6056 1.8286 1.8489 3.1911 3.1946 3.6060 3.7254 1.3312 -5.2904 0.5165 0.1328 -0.0655 0.4183 0.1092 0.0676 0.3626 0.3738 0.3590 -0.2625 -0.4622 -0.4052 -0.1639 -0.1331 0.0000 175.4019 T0344.try5-opt2.repack-nonPC.pdb.gz 229 0.5699 1.7382 1.7748 3.2133 3.2146 3.4188 3.5492 -0.0638 -4.2687 0.4257 0.1064 -0.0373 0.1683 0.0349 0.0446 0.6035 0.6245 0.6236 -0.1319 -0.4867 -0.3722 -0.1133 -0.0991 0.0000 175.4886 T0344.try12-opt2.repack-nonPC.pdb.gz 229 0.5468 1.6689 1.6978 3.1379 3.1746 3.5822 3.7033 2.4842 -5.0972 0.1148 0.0925 -0.1481 0.1302 0.0437 0.0181 0.5050 0.6342 0.5762 -0.1208 -0.4250 -0.3444 -0.0888 -0.0816 0.0000 175.7392 T0344.try9-opt2.repack-nonPC.pdb.gz 229 0.5425 1.7698 1.7770 3.1174 3.1405 3.4395 3.5633 0.1192 -4.2315 0.2726 0.0942 -0.0073 0.1768 0.0175 0.0290 0.8422 0.8330 0.7523 0.1545 -0.4790 -0.3683 -0.1176 -0.0961 0.0000 176.0476 T0344.try30-opt2.gromacs0.pdb.gz 229 0.5496 1.7043 1.7415 3.1128 3.1993 3.5783 3.6804 1.4151 -3.8319 0.1828 0.2261 -0.1734 0.0263 0.0087 0.0156 0.9011 0.9222 0.9341 -0.2141 -0.4576 -0.3490 -0.1310 -0.1043 0.0000 176.1418 T0344.try6-opt2.repack-nonPC.pdb.gz 229 0.5585 1.6699 1.6893 3.1337 3.2076 3.5726 3.6523 0.5129 -4.9505 0.1457 0.0981 -0.2025 0.1413 0.0568 0.0174 0.5849 0.7050 0.6694 -0.1903 -0.3840 -0.3178 -0.0711 -0.0613 0.0000 176.1893 T0344.try27-opt2.repack-nonPC.pdb.gz 229 0.5275 1.6985 1.6983 3.1130 3.1751 3.6167 3.7506 1.6060 -5.1520 0.2908 0.1519 -0.2137 0.3344 0.2445 0.0640 0.2330 0.3257 0.3321 -0.2198 -0.4871 -0.3979 -0.1063 -0.0942 0.0000 176.2652 T0344.try8-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5482 1.6471 1.6691 3.1490 3.2291 3.5539 3.6726 0.9391 -4.5143 0.1403 0.2087 -0.1973 0.0243 0.0087 0.0158 0.6660 0.8634 0.7871 -0.2314 -0.4329 -0.3543 -0.0815 -0.0689 0.0000 176.3395 T0344.try26-opt2.repack-nonPC.pdb.gz 229 0.5265 1.6810 1.6946 3.1359 3.2058 3.6273 3.7555 1.6915 -5.2254 0.2542 0.1424 -0.2305 0.2748 0.1572 0.0599 0.2331 0.3191 0.3284 -0.2050 -0.4597 -0.3894 -0.0978 -0.0864 0.0000 176.7059 T0344.try12-opt1.pdb.gz 229 0.5553 1.6659 1.7205 3.1206 3.1714 3.5570 3.6999 2.4846 -5.2101 0.0879 0.0987 -0.1597 0.1903 0.0524 0.0207 0.5276 0.6766 0.6064 -0.1212 -0.4256 -0.3281 -0.0849 -0.0755 0.0000 177.0540 T0344.try12-opt2.gromacs0.pdb.gz 229 0.5514 1.6872 1.7082 3.0931 3.1515 3.5527 3.6944 2.4502 -4.6215 0.1369 0.2216 -0.1941 0.0295 0.0218 0.0159 0.7101 0.8787 0.8076 -0.1349 -0.4600 -0.3366 -0.0859 -0.0797 0.0000 177.0968 T0344.try8-opt1.pdb.gz 229 0.5412 1.6542 1.6672 3.1885 3.2060 3.5434 3.6798 1.1174 -4.8498 0.0759 0.1123 -0.2000 0.2005 0.0742 0.0170 0.4873 0.6762 0.6139 -0.2531 -0.4228 -0.3465 -0.0742 -0.0605 0.0000 177.4055 T0344.try14-opt2.pdb.gz 229 0.5384 1.6599 1.6586 3.0941 3.1995 3.5955 3.7781 3.6179 -5.1748 0.1416 0.0943 -0.2117 0.1399 0.1179 0.0141 0.5932 0.6986 0.6100 -0.2294 -0.4010 -0.3155 -0.0927 -0.0752 0.0000 177.7856 T0344.try5-opt1.pdb.gz 229 0.5661 1.7440 1.7822 3.1661 3.2207 3.4006 3.5277 -0.0803 -3.9887 0.4375 0.0953 -0.0070 0.2310 0.0349 0.0382 0.7128 0.7284 0.7270 -0.1287 -0.5031 -0.3597 -0.1087 -0.0975 0.0000 178.0300 T0344.try29-opt1-scwrl.pdb.gz 229 0.5564 1.6994 1.7419 3.2112 3.3090 3.6811 3.7412 1.7909 -5.1308 0.2407 0.1145 -0.1809 0.3429 0.0611 0.0210 0.4969 0.5229 0.5497 -0.2375 -0.4141 -0.3639 -0.1327 -0.1149 0.0000 178.1535 T0344.try26-opt1.pdb.gz 229 0.5216 1.7015 1.7025 3.1070 3.1522 3.6010 3.7493 1.6825 -5.0523 0.2632 0.1325 -0.2210 0.3302 0.1616 0.0453 0.3521 0.4569 0.4508 -0.2320 -0.4542 -0.3708 -0.0864 -0.0752 0.0000 178.4732 T0344.try29-opt2.gromacs0.pdb.gz 229 0.5498 1.7103 1.7516 3.1675 3.2489 3.6414 3.7223 1.7431 -3.9989 0.1806 0.2229 -0.1414 0.0187 0.0175 0.0094 0.8806 0.9067 0.9153 -0.2104 -0.4393 -0.3540 -0.1305 -0.1063 0.0000 178.4812 T0344.try6-opt2.gromacs0.pdb.gz 229 0.5538 1.6720 1.6890 3.0982 3.1839 3.5513 3.6496 0.5044 -4.2325 0.1339 0.2265 -0.2106 0.0335 0.0349 0.0119 0.7758 0.9445 0.8820 -0.2055 -0.4075 -0.3130 -0.0666 -0.0595 0.0000 178.5428 T0344.try11-opt2.pdb.gz 229 0.5498 1.7321 1.7528 3.0793 3.1499 3.4046 3.5570 0.1340 -3.8821 0.5538 0.1278 -0.0816 0.2272 0.0393 0.0902 0.8582 0.8223 0.8163 0.0143 -0.5169 -0.3944 -0.1274 -0.1094 0.0000 178.6415 T0344.try8-opt1-scwrl.pdb.gz 229 0.5407 1.6542 1.6672 3.1653 3.2153 3.5676 3.7001 1.1554 -5.3532 0.0759 0.1123 -0.2000 0.3715 0.0742 0.0170 0.4873 0.6762 0.6139 -0.2513 -0.4087 -0.3465 -0.0742 -0.0605 0.0000 178.7662 T0344.try30-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5580 1.7043 1.7415 3.1917 3.2506 3.6274 3.6885 1.4570 -3.9481 0.1828 0.2261 -0.1734 0.0215 0.0087 0.0156 0.9011 0.9222 0.9341 -0.2149 -0.4297 -0.3490 -0.1310 -0.1043 0.0000 178.7941 T0344.try6-opt1.pdb.gz 229 0.5538 1.6676 1.6825 3.1347 3.2217 3.5882 3.6723 0.6439 -5.0798 0.0824 0.0985 -0.2094 0.2055 0.0568 0.0156 0.6165 0.7762 0.7142 -0.1871 -0.3799 -0.2926 -0.0614 -0.0520 0.0000 179.1810 T0344.try7-opt2.pdb.gz 229 0.5774 1.7318 1.7569 3.1194 3.1212 3.4191 3.5451 0.4723 -4.2466 0.5699 0.0998 -0.0988 0.1826 0.0218 0.0250 0.8688 0.8621 0.8471 0.2393 -0.4530 -0.3295 -0.1088 -0.0958 0.0000 179.3175 T0344.try6-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5498 1.6720 1.6890 3.1516 3.2150 3.5776 3.6591 0.5257 -4.3135 0.1339 0.2265 -0.2106 0.0326 0.0349 0.0119 0.7758 0.9445 0.8820 -0.2056 -0.3773 -0.3130 -0.0666 -0.0595 0.0000 180.1157 T0344.try9-opt1.pdb.gz 229 0.5565 1.7603 1.7765 3.0974 3.1524 3.4750 3.5792 0.1385 -4.1133 0.2441 0.0863 0.0104 0.2456 0.0131 0.0231 1.0223 1.0178 0.9333 0.1486 -0.4511 -0.3581 -0.1136 -0.0923 0.0000 180.1917 T0344.try12-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5494 1.6872 1.7082 3.1694 3.1887 3.5844 3.6952 2.4933 -4.5538 0.1369 0.2216 -0.1941 0.0343 0.0218 0.0159 0.7101 0.8787 0.8076 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