# 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) + 2 * phobic_fit + 10 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 40 * soft_clashes + 2 * backbone_clashes + 80 * break + 2 * pred_alpha2k + 3 * pred_alpha04 + 4 * pred_alpha06 + 10 * constraints + 5 * hbond_geom + 10 * hbond_geom_backbone + 50 * hbond_geom_beta + 100 * hbond_geom_beta_pair + 0.5 * maybe_metal + 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 maybe_metal 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 10N T0289.try18-opt2.pdb.gz 312 0.5457 1.7158 1.8001 3.0287 3.0511 3.4253 3.5989 0.9889 -5.1174 0.4953 0.1636 -0.0919 0.1559 0.0353 0.0841 0.1490 0.1132 0.1039 -0.1467 -0.5638 -0.4252 -0.1835 -0.1534 0.0000 0.0000 202.5968 T0289.try18-opt1.pdb.gz 312 0.5467 1.7216 1.7982 3.0386 3.0620 3.4298 3.6001 1.0084 -5.0405 0.4855 0.1644 -0.0892 0.1749 0.0353 0.0861 0.1529 0.1200 0.1093 -0.1414 -0.5590 -0.4236 -0.1822 -0.1521 0.0000 0.0000 205.2565 T0289.try17-opt2.pdb.gz 312 0.5466 1.7176 1.7977 3.0468 3.0654 3.4316 3.6023 1.0373 -5.0051 0.4927 0.1624 -0.0867 0.1650 0.0321 0.0849 0.1719 0.1405 0.1296 -0.1162 -0.5571 -0.4220 -0.1818 -0.1519 0.0000 0.0000 205.9706 T0289.try17-opt1.pdb.gz 312 0.5483 1.7215 1.7887 3.0494 3.0646 3.4317 3.6052 1.0288 -4.7941 0.4824 0.1629 -0.1034 0.1982 0.0288 0.0835 0.2235 0.2106 0.1993 -0.1126 -0.5533 -0.4192 -0.1797 -0.1501 0.0000 0.0000 210.1640 T0289.try18-opt2.repack-nonPC.pdb.gz 312 0.5481 1.7158 1.8001 3.1118 3.1279 3.4950 3.6176 0.9830 -4.6827 0.4953 0.1636 -0.0919 0.1102 0.0353 0.0841 0.1490 0.1132 0.1039 -0.1435 -0.5802 -0.4252 -0.1835 -0.1534 0.0000 0.0000 210.2518 T0289.try16-opt2.pdb.gz 312 0.5442 1.7262 1.7859 3.0394 3.0623 3.4350 3.6089 1.0304 -4.7579 0.4786 0.1659 -0.0999 0.2266 0.0288 0.0992 0.2462 0.2388 0.2366 -0.1132 -0.5556 -0.4182 -0.1789 -0.1495 0.0000 0.0000 213.1164 T0289.try17-opt2.repack-nonPC.pdb.gz 312 0.5505 1.7176 1.7977 3.1394 3.1355 3.4970 3.6154 1.0403 -4.5295 0.4927 0.1624 -0.0867 0.1085 0.0321 0.0849 0.1719 0.1405 0.1296 -0.1166 -0.5579 -0.4220 -0.1818 -0.1519 0.0000 0.0000 213.5670 T0289.try15-opt2.pdb.gz 312 0.5603 1.7347 1.7862 3.0613 3.0985 3.4562 3.5995 0.5703 -4.7690 0.4563 0.1815 -0.1044 0.2300 0.0513 0.1279 0.1955 0.1669 0.1647 -0.0730 -0.5656 -0.4084 -0.1803 -0.1496 0.0000 0.0000 216.3164 T0289.try16-opt2.repack-nonPC.pdb.gz 312 0.5502 1.7262 1.7859 3.1060 3.1418 3.5055 3.6236 1.0260 -4.3846 0.4786 0.1659 -0.0999 0.1192 0.0288 0.0992 0.2462 0.2388 0.2366 -0.1192 -0.5671 -0.4182 -0.1789 -0.1495 0.0000 0.0000 217.3939 T0289.try16-opt1.pdb.gz 312 0.5531 1.7283 1.7856 3.0938 3.1060 3.4866 3.6271 1.1037 -4.7285 0.4552 0.1735 -0.0953 0.2663 0.0321 0.1107 0.3255 0.3143 0.3164 -0.0780 -0.5239 -0.4100 -0.1779 -0.1490 0.0000 0.0000 220.9874 T0289.try15-opt2.repack-nonPC.pdb.gz 312 0.5629 1.7347 1.7862 3.1406 3.1562 3.5081 3.6142 0.5810 -4.4810 0.4563 0.1815 -0.1044 0.1693 0.0513 0.1279 0.1955 0.1669 0.1647 -0.0801 -0.5474 -0.4084 -0.1803 -0.1496 0.0000 0.0000 221.0609 T0289.try18-opt1-scwrl.pdb.gz 312 0.5673 1.7216 1.7982 3.1412 3.1931 3.5038 3.6228 0.9632 -5.3644 0.4855 0.1644 -0.0892 0.5203 0.0353 0.0861 0.1529 0.1200 0.1093 -0.1480 -0.5352 -0.4236 -0.1822 -0.1521 0.0000 0.0000 223.1411 T0289.try15-opt1.pdb.gz 312 0.5606 1.7297 1.7806 3.1083 3.1283 3.4714 3.6075 0.6213 -4.6758 0.4471 0.1766 -0.0922 0.2968 0.0449 0.1312 0.2790 0.2614 0.2551 -0.0627 -0.5415 -0.4067 -0.1780 -0.1487 0.0000 0.0000 223.5004 T0289.try17-opt1-scwrl.pdb.gz 312 0.5676 1.7215 1.7887 3.1468 3.1948 3.5046 3.6274 0.9880 -5.1916 0.4824 0.1629 -0.1034 0.5123 0.0288 0.0835 0.2235 0.2106 0.1993 -0.1196 -0.5296 -0.4192 -0.1797 -0.1501 0.0000 0.0000 225.8926 T0289.try18-opt2.gromacs0.pdb.gz 312 0.5480 1.7331 1.7923 3.0792 3.0700 3.4336 3.5983 0.9884 -3.0130 0.3164 0.2643 -0.0383 0.0539 0.0096 0.0575 1.0611 1.0730 1.0785 -0.1296 -0.5510 -0.4049 -0.1745 -0.1463 0.0000 0.0000 229.6902 T0289.try17-opt2.gromacs0.pdb.gz 312 0.5461 1.7377 1.7912 3.0859 3.0804 3.4369 3.6022 1.0392 -3.0051 0.2966 0.2599 -0.0459 0.0556 0.0096 0.0582 1.0568 1.0672 1.0717 -0.1036 -0.5568 -0.4063 -0.1734 -0.1448 0.0000 0.0000 230.6650 T0289.try11-opt2-chimera-try7-opt2-C-terminal.pdb 312 0.5539 1.7270 1.7697 3.1163 3.1534 3.5394 3.6642 1.1822 -4.6228 0.4503 0.1732 -0.0799 0.3503 0.0609 0.1434 0.3480 0.3450 0.3404 -0.0920 -0.5309 -0.4063 -0.1774 -0.1477 0.0000 0.0000 231.5261 T0289.try11-opt2-chimera-try7-opt2-C-terminal.renum.pdb 312 0.5539 1.7270 1.7697 3.1163 3.1534 3.5394 3.6642 1.1822 -4.6228 0.4503 0.1732 -0.0799 0.3503 0.0609 0.1434 0.3480 0.3450 0.3404 -0.0920 -0.5309 -0.4063 -0.1774 -0.1477 0.0000 0.0000 231.5261 T0289.try16-opt1-scwrl.pdb.gz 312 0.5619 1.7283 1.7856 3.1506 3.2141 3.5265 3.6418 1.0588 -5.0892 0.4552 0.1735 -0.0953 0.5199 0.0321 0.1107 0.3255 0.3143 0.3164 -0.0819 -0.5235 -0.4100 -0.1779 -0.1490 0.0000 0.0000 232.3112 T0289.try13-opt2.repack-nonPC.pdb.gz 312 0.5637 1.7522 1.7978 3.1905 3.1789 3.4279 3.5475 0.3096 -4.0875 0.4989 0.1475 -0.0577 0.2364 0.0705 0.1250 0.3811 0.4119 0.3900 0.1122 -0.4850 -0.3619 -0.1754 -0.1310 0.0000 0.0000 233.3053 T0289.try16-opt2.gromacs0.pdb.gz 312 0.5469 1.7396 1.7968 3.0809 3.0815 3.4401 3.6056 1.0310 -3.0607 0.4957 0.2776 -0.0413 0.0738 0.0128 0.0731 1.0018 1.0104 1.0082 -0.0959 -0.5515 -0.3983 -0.1689 -0.1417 0.0000 0.0000 233.4787 T0289.try8-opt2.pdb.gz 312 0.5672 1.7481 1.7980 3.2158 3.1673 3.4706 3.5780 0.4192 -4.4143 0.5056 0.1440 -0.1133 0.3433 0.0449 0.0776 0.4394 0.4955 0.4500 0.1479 -0.4738 -0.3641 -0.1698 -0.1253 0.0000 0.0000 233.6720 T0289.try13-opt2.pdb.gz 312 0.5655 1.7522 1.7978 3.1751 3.1474 3.4156 3.5472 0.3408 -4.4465 0.4989 0.1475 -0.0577 0.3797 0.0705 0.1250 0.3811 0.4119 0.3900 0.1070 -0.4843 -0.3619 -0.1754 -0.1310 0.0000 0.0000 234.1479 T0289.try9-opt2.pdb.gz 312 0.5519 1.7268 1.7798 3.2118 3.1359 3.4504 3.5700 0.3422 -4.3093 0.4535 0.1433 -0.1006 0.3770 0.0385 0.0918 0.5128 0.5660 0.5346 0.0742 -0.4875 -0.3551 -0.1576 -0.1311 -1.0355 0.0000 234.5514 T0289.try11-opt2.pdb.gz 312 0.5731 1.7568 1.7971 3.2003 3.1374 3.4290 3.5591 0.1879 -4.3655 0.4253 0.1696 -0.0385 0.3483 0.0385 0.1511 0.3674 0.4657 0.4181 0.0852 -0.4937 -0.3709 -0.1785 -0.1404 0.0000 0.0000 234.9334 T0289.try15-opt1-scwrl.pdb.gz 312 0.5696 1.7297 1.7806 3.1974 3.2222 3.5174 3.6304 0.6130 -5.0455 0.4471 0.1766 -0.0922 0.5382 0.0449 0.1312 0.2790 0.2614 0.2551 -0.0664 -0.5166 -0.4067 -0.1780 -0.1487 0.0000 0.0000 234.9471 T0289.try12-opt2.pdb.gz 312 0.5705 1.7367 1.7871 3.1599 3.0940 3.3979 3.5058 0.0952 -4.3228 0.4238 0.1675 -0.1051 0.3718 0.0321 0.1444 0.4008 0.4967 0.4477 0.1662 -0.4843 -0.3555 -0.1637 -0.1258 0.0000 0.0000 235.4614 T0289.try11-opt2.repack-nonPC.pdb.gz 312 0.5727 1.7568 1.7971 3.2529 3.2085 3.4515 3.5603 0.1636 -4.1229 0.4253 0.1696 -0.0385 0.2288 0.0385 0.1511 0.3674 0.4657 0.4181 0.0854 -0.5045 -0.3709 -0.1785 -0.1404 0.0000 0.0000 235.7683 T0289.try10-opt2.pdb.gz 312 0.5826 1.7724 1.7922 3.1630 3.1022 3.3909 3.5067 0.3403 -4.0997 0.4213 0.1446 -0.0680 0.4334 0.0673 0.0829 0.5338 0.6606 0.6286 0.0238 -0.4768 -0.3513 -0.1638 -0.1304 0.0000 0.0000 235.9350 T0289.try8-opt2.repack-nonPC.pdb.gz 312 0.5683 1.7481 1.7980 3.2620 3.1991 3.4972 3.5928 0.4254 -3.9318 0.5056 0.1440 -0.1133 0.2272 0.0449 0.0776 0.4394 0.4955 0.4500 0.1485 -0.4870 -0.3641 -0.1698 -0.1253 0.0000 0.0000 236.2205 T0289.try15-opt2.gromacs0.pdb.gz 312 0.5611 1.7356 1.7985 3.0982 3.1146 3.4672 3.5939 0.5724 -2.9995 0.4552 0.2965 -0.0076 0.0752 0.0481 0.0996 0.9613 0.9718 0.9667 -0.0711 -0.5797 -0.3995 -0.1746 -0.1448 0.0000 0.0000 236.5168 T0289.try12-opt2.repack-nonPC.pdb.gz 312 0.5728 1.7367 1.7871 3.2071 3.1604 3.4338 3.5178 0.0883 -3.8629 0.4238 0.1675 -0.1051 0.2255 0.0321 0.1444 0.4008 0.4967 0.4477 0.1642 -0.4953 -0.3555 -0.1637 -0.1258 0.0000 0.0000 237.5969 T0289.try9-opt2.repack-nonPC.pdb.gz 312 0.5631 1.7268 1.7798 3.2822 3.1722 3.4761 3.5833 0.3517 -3.7824 0.4535 0.1433 -0.1006 0.2598 0.0385 0.0918 0.5128 0.5660 0.5346 0.0708 -0.4951 -0.3551 -0.1576 -0.1311 -1.0355 0.0000 238.2090 T0289.try10-opt2.repack-nonPC.pdb.gz 312 0.5771 1.7724 1.7922 3.2435 3.1487 3.4027 3.5156 0.3695 -3.5817 0.4213 0.1446 -0.0680 0.2899 0.0673 0.0829 0.5338 0.6606 0.6286 0.0331 -0.4674 -0.3513 -0.1638 -0.1304 0.0000 0.0000 238.5883 T0289.try14-opt2.pdb.gz 312 0.5592 1.7671 1.8362 3.1395 3.0704 3.4087 3.5624 0.2625 -4.3453 0.4773 0.1731 -0.0826 0.1667 0.0801 0.1141 0.3677 0.4169 0.3780 1.6393 -0.5007 -0.3738 -0.1638 -0.1231 -0.7985 0.0000 239.2292 T0289.try14-opt1.pdb.gz 312 0.5606 1.7698 1.8402 3.1416 3.0884 3.4196 3.5674 0.2763 -4.2782 0.4697 0.1673 -0.0769 0.1576 0.0705 0.1094 0.3955 0.4494 0.4059 1.6349 -0.5091 -0.3719 -0.1600 -0.1205 -0.8061 0.0000 240.5594 T0289.try6-opt2.pdb.gz 312 0.5606 1.7678 1.8400 3.1424 3.0894 3.4208 3.5684 0.2793 -4.2647 0.4687 0.1643 -0.0851 0.1577 0.0705 0.1045 0.4303 0.4924 0.4516 1.6348 -0.5090 -0.3707 -0.1594 -0.1200 -0.8061 0.0000 240.7795 T0289.try6-opt1.pdb.gz 312 0.5619 1.7685 1.8360 3.1570 3.1024 3.4296 3.5742 0.2888 -3.9894 0.4665 0.1629 -0.0828 0.1671 0.0769 0.1061 0.4356 0.4983 0.4565 1.6530 -0.4992 -0.3639 -0.1592 -0.1228 -0.7869 0.0000 244.9867 T0289.try8-opt2.gromacs0.pdb.gz 312 0.5709 1.7688 1.8020 3.2303 3.1769 3.4811 3.5795 0.4214 -2.9326 0.3331 0.2608 0.0107 0.0976 0.0128 0.0489 1.0987 1.2650 1.2204 0.1489 -0.4868 -0.3584 -0.1702 -0.1235 0.0000 0.0000 245.0352 T0289.try5-opt2.pdb.gz 312 0.5611 1.7700 1.8393 3.1700 3.1112 3.4333 3.5748 0.2932 -3.9272 0.4702 0.1592 -0.0871 0.1626 0.0673 0.1022 0.4504 0.5156 0.4733 1.6541 -0.4960 -0.3604 -0.1596 -0.1235 -0.7939 0.0000 245.7617 T0289.try14-opt2.repack-nonPC.pdb.gz 312 0.5681 1.7671 1.8362 3.2266 3.1438 3.4440 3.5788 0.2410 -4.1223 0.4773 0.1731 -0.0826 0.1683 0.0801 0.1141 0.3677 0.4169 0.3780 1.6327 -0.5108 -0.3738 -0.1638 -0.1231 -0.7985 0.0000 245.9474 T0289.try6-opt2.repack-nonPC.pdb.gz 312 0.5701 1.7678 1.8400 3.2419 3.1529 3.4400 3.5807 0.2473 -4.0781 0.4687 0.1643 -0.0851 0.1625 0.0705 0.1045 0.4303 0.4924 0.4516 1.6319 -0.5184 -0.3707 -0.1594 -0.1200 -0.8061 0.0000 246.9236 T0289.try7-opt2.pdb.gz 312 0.5785 1.7659 1.8213 3.2086 3.1396 3.3975 3.5437 0.2305 -4.5941 0.4205 0.1710 -0.0862 0.3282 0.0481 0.1417 0.4566 0.5058 0.4763 1.5008 -0.4502 -0.3527 -0.1613 -0.1310 0.0000 0.0000 247.5151 T0289.try9-opt2.gromacs0.pdb.gz 312 0.5527 1.7420 1.7861 3.2218 3.1593 3.4666 3.5758 0.3438 -2.6471 0.4041 0.2780 -0.0298 0.0972 0.0321 0.0734 1.0980 1.2170 1.1776 0.0645 -0.4975 -0.3481 -0.1531 -0.1236 -1.0472 0.0000 247.8304 T0289.try10-opt2.gromacs0.pdb.gz 312 0.5815 1.7684 1.8163 3.1902 3.1178 3.4107 3.5069 0.3445 -2.4259 0.4074 0.2743 0.0219 0.1073 0.0288 0.0743 1.1220 1.3170 1.2872 0.0303 -0.4990 -0.3502 -0.1604 -0.1273 0.0000 0.0000 248.1865 T0289.try11-opt2.gromacs0.pdb.gz 312 0.5769 1.7599 1.8022 3.2101 3.1385 3.4285 3.5541 0.1919 -2.7210 0.6894 0.3053 0.0404 0.1108 0.0224 0.1153 0.9845 1.1948 1.1247 0.0747 -0.5087 -0.3583 -0.1705 -0.1287 0.0000 0.0000 250.1005 T0289.try5-opt2.repack-nonPC.pdb.gz 312 0.5750 1.7700 1.8393 3.2524 3.1614 3.4513 3.5841 0.2619 -3.8220 0.4702 0.1592 -0.0871 0.1660 0.0673 0.1022 0.4504 0.5156 0.4733 1.6448 -0.4987 -0.3604 -0.1596 -0.1235 -0.7939 0.0000 250.3457 T0289.try13-opt2.gromacs0.pdb.gz 312 0.5663 1.7606 1.8047 3.2042 3.1485 3.4341 3.5505 0.3405 -2.5080 0.6250 0.2918 0.0371 0.1028 0.0865 0.0849 1.0789 1.2311 1.1708 0.1210 -0.4952 -0.3599 -0.1715 -0.1280 0.0000 0.0000 250.4984 T0289.try5-opt1.pdb.gz 312 0.5679 1.7746 1.8418 3.1942 3.1302 3.4430 3.5806 0.3285 -3.8559 0.4603 0.1636 -0.0872 0.2071 0.0737 0.1097 0.4333 0.4948 0.4638 1.6977 -0.5008 -0.3564 -0.1576 -0.1215 -1.0431 0.0000 250.7753 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