# cost function cost = # ( 25 * wet6.5(6.5, /log(length)) + 15 * near_backbone(9.65) + 5 * way_back(8.9) + 25 * dry5(5) + 30 * dry6.5(6.5) + 25 * dry8(8) + 5 * 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 + 2 * pred_alpha04 + 2 * 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 * 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 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 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 -0.3709 -0.5638 -0.4252 -0.1835 -0.1534 0.0000 0.0000 252.1800 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 -0.3625 -0.5590 -0.4236 -0.1822 -0.1521 0.0000 0.0000 255.0412 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 -0.3615 -0.5571 -0.4220 -0.1818 -0.1519 0.0000 0.0000 255.4667 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 -0.3652 -0.5533 -0.4192 -0.1797 -0.1501 0.0000 0.0000 259.4290 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 -0.3553 -0.5802 -0.4252 -0.1835 -0.1534 0.0000 0.0000 261.0378 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 -0.3420 -0.5556 -0.4182 -0.1789 -0.1495 0.0000 0.0000 262.4603 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 -0.3466 -0.5579 -0.4220 -0.1818 -0.1519 0.0000 0.0000 264.3294 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 -0.3267 -0.5656 -0.4084 -0.1803 -0.1496 0.0000 0.0000 266.3168 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 -0.3314 -0.5671 -0.4182 -0.1789 -0.1495 0.0000 0.0000 267.9718 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 -0.3330 -0.5239 -0.4100 -0.1779 -0.1490 0.0000 0.0000 270.6024 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 -0.3261 -0.5474 -0.4084 -0.1803 -0.1496 0.0000 0.0000 272.0333 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 -0.3172 -0.5415 -0.4067 -0.1780 -0.1487 0.0000 0.0000 273.5885 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 -0.3497 -0.5352 -0.4236 -0.1822 -0.1521 0.0000 0.0000 274.7510 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 0.1417 -0.5007 -0.3738 -0.1638 -0.1231 -0.7985 0.0000 276.6237 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 -0.3543 -0.5296 -0.4192 -0.1797 -0.1501 0.0000 0.0000 276.9215 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 -0.3507 -0.5510 -0.4049 -0.1745 -0.1463 0.0000 0.0000 276.9822 T0289.try19-opt2.pdb.gz 312 0.5669 1.7240 1.7904 3.1562 3.0936 3.4036 3.5496 0.1935 -4.5612 0.4495 0.1711 -0.0555 0.2941 0.0737 0.1301 0.3310 0.4031 0.3616 0.0911 -0.5218 -0.3800 -0.1804 -0.1448 0.0000 0.0000 277.4998 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 -0.3423 -0.5568 -0.4063 -0.1734 -0.1448 0.0000 0.0000 277.9106 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 0.1442 -0.5091 -0.3719 -0.1600 -0.1205 -0.8061 0.0000 278.1065 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 0.1455 -0.5090 -0.3707 -0.1594 -0.1200 -0.8061 0.0000 278.1955 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 -0.3019 -0.5515 -0.3983 -0.1689 -0.1417 0.0000 0.0000 281.2402 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 -0.3189 -0.5309 -0.4063 -0.1774 -0.1477 0.0000 0.0000 281.7653 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 -0.3189 -0.5309 -0.4063 -0.1774 -0.1477 0.0000 0.0000 281.7653 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 0.1465 -0.4992 -0.3639 -0.1592 -0.1228 -0.7869 0.0000 282.3879 T0289.try19-opt2.repack-nonPC.pdb.gz 312 0.5706 1.7240 1.7904 3.2257 3.1728 3.4443 3.5555 0.1821 -4.2565 0.4495 0.1711 -0.0555 0.2115 0.0737 0.1301 0.3310 0.4031 0.3616 0.0909 -0.5249 -0.3800 -0.1804 -0.1448 0.0000 0.0000 282.4604 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 -0.3253 -0.5235 -0.4100 -0.1779 -0.1490 0.0000 0.0000 283.0801 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 0.1484 -0.4960 -0.3604 -0.1596 -0.1235 -0.7939 0.0000 283.2529 T0289.try20-opt1.pdb 312 0.5624 1.7503 1.7983 3.1689 3.1344 3.4122 3.5411 0.3303 -4.5453 0.4943 0.1528 -0.0654 0.3442 0.0609 0.1173 0.3936 0.4303 0.4041 0.1488 -0.4798 -0.3615 -0.1747 -0.1318 0.0000 0.0000 283.7444 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 0.1383 -0.5108 -0.3738 -0.1638 -0.1231 -0.7985 0.0000 284.3602 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 -0.2693 -0.5797 -0.3995 -0.1746 -0.1448 0.0000 0.0000 285.0280 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 0.1417 -0.5184 -0.3707 -0.1594 -0.1200 -0.8061 0.0000 285.2755 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 -0.0200 -0.4502 -0.3527 -0.1613 -0.1310 0.0000 0.0000 285.3036 T0289.try19-opt1.pdb.gz 312 0.5718 1.7425 1.7818 3.1970 3.1134 3.4157 3.5537 0.2133 -4.3489 0.4322 0.1714 -0.0517 0.3468 0.0673 0.1333 0.3672 0.4527 0.3996 0.1319 -0.4952 -0.3723 -0.1773 -0.1407 0.0000 0.0000 285.6749 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 -0.3193 -0.5166 -0.4067 -0.1780 -0.1487 0.0000 0.0000 286.1722 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 0.1537 -0.4738 -0.3641 -0.1698 -0.1253 0.0000 0.0000 286.8655 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 0.1508 -0.4850 -0.3619 -0.1754 -0.1310 0.0000 0.0000 286.9066 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 0.1542 -0.4843 -0.3619 -0.1754 -0.1310 0.0000 0.0000 287.5589 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 0.1525 -0.4875 -0.3551 -0.1576 -0.1311 -1.0355 0.0000 287.6261 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 0.1622 -0.4843 -0.3555 -0.1637 -0.1258 0.0000 0.0000 287.8308 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 0.1511 -0.5008 -0.3564 -0.1576 -0.1215 -1.0431 0.0000 288.2459 T0289.try4-opt2.pdb.gz 312 0.5681 1.7748 1.8332 3.2092 3.1348 3.4614 3.5823 0.2918 -3.8565 0.4354 0.1527 -0.1019 0.2017 0.0929 0.1020 0.4424 0.5048 0.4728 0.1522 -0.4853 -0.3534 -0.1560 -0.1206 -1.0469 0.0000 288.3532 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 0.1383 -0.4937 -0.3709 -0.1785 -0.1404 0.0000 0.0000 288.4993 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 0.1458 -0.4987 -0.3604 -0.1596 -0.1235 -0.7939 0.0000 288.7492 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 0.1761 -0.4768 -0.3513 -0.1638 -0.1304 0.0000 0.0000 289.8376 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 0.1577 -0.4870 -0.3641 -0.1698 -0.1253 0.0000 0.0000 289.9082 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 0.1343 -0.5045 -0.3709 -0.1785 -0.1404 0.0000 0.0000 290.0133 T0289.try7-opt2.repack-nonPC.pdb.gz 312 0.5752 1.7659 1.8213 3.2601 3.1828 3.4414 3.5449 0.2557 -3.9083 0.4205 0.1710 -0.0862 0.1853 0.0481 0.1417 0.4566 0.5058 0.4763 -0.0212 -0.4420 -0.3527 -0.1613 -0.1310 0.0000 0.0000 290.1319 T0289.try4-opt2.repack-nonPC.pdb.gz 312 0.5735 1.7748 1.8332 3.2551 3.1605 3.4777 3.5859 0.2885 -3.8471 0.4354 0.1527 -0.1019 0.1928 0.0929 0.1020 0.4424 0.5048 0.4728 0.1461 -0.4876 -0.3534 -0.1560 -0.1206 -1.0469 0.0000 290.4930 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 0.1636 -0.4953 -0.3555 -0.1637 -0.1258 0.0000 0.0000 290.7104 T0289.try9-opt2.repack-nonPC.pdb.gz 312 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