# 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) + 15 * dry8(8) + 5 * dry12(12) + 2 * phobic_fit + 20 * n_ca_c + 20 * bad_peptide + 8 * sidechain + 8 * bystroff + 50 * soft_clashes + 2 * backbone_clashes + 150 * break + 3 * pred_alpha2k + 4 * pred_alpha04 + 5 * 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 n_ca_c bad_peptide sidechain 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 T0311.try10-opt2.pdb.gz 97 0.4994 1.5417 1.6068 2.8718 2.8735 3.1779 3.4742 -0.1466 0.1554 0.0982 -6.9280 -0.1701 0.0293 0.0103 0.0134 -0.3959 -0.4183 -0.4169 -0.8152 -0.6141 -0.0401 0.0000 0.0000 151.8651 T0311.try11-opt2.pdb.gz 97 0.5071 1.5310 1.5963 2.8790 2.8791 3.1848 3.4778 -0.1586 0.0899 0.1326 -6.7406 -0.1553 0.0184 0.0206 0.0076 -0.2708 -0.3261 -0.3261 -0.8617 -0.6229 -0.0403 0.0000 0.0000 152.7328 T0311.try10-opt1.pdb.gz 97 0.4937 1.5420 1.6050 2.8788 2.8683 3.1790 3.4743 -0.1331 0.1725 0.0958 -6.8224 -0.1731 0.0387 0.0206 0.0126 -0.3753 -0.4067 -0.4075 -0.8136 -0.6239 -0.0399 0.0000 0.0000 153.3921 T0311.try8-opt2.pdb.gz 97 0.4930 1.5418 1.5973 2.8709 2.8638 3.1763 3.4734 -0.1393 0.1902 0.0974 -6.8253 -0.1731 0.0548 0.0309 0.0145 -0.3753 -0.4067 -0.4075 -0.8161 -0.6256 -0.0403 0.0000 0.0000 154.4350 T0311.try11-opt1.pdb.gz 97 0.5001 1.5307 1.6096 2.9017 2.8809 3.1824 3.4767 -0.1474 0.1022 0.1372 -6.5488 -0.1543 0.0193 0.0206 0.0059 -0.2451 -0.2921 -0.2937 -0.8507 -0.6161 -0.0398 0.0000 0.0000 155.3676 T0311.try6-opt2.pdb.gz 97 0.4880 1.5186 1.6063 2.8734 2.8697 3.2444 3.5263 0.3160 0.1271 0.1108 -6.8072 -0.1840 0.0559 0.0000 0.0211 -0.3184 -0.3781 -0.3745 -0.8251 -0.6210 -0.0474 0.0000 0.0000 156.8314 T0311.try5-opt2.pdb.gz 97 0.5354 1.5012 1.5577 2.9061 2.8542 3.1450 3.4237 -0.7240 0.1700 0.1091 -6.7212 -0.1692 0.0856 0.0103 0.0190 -0.3345 -0.3796 -0.3776 -0.7857 -0.5953 -0.0419 0.0000 0.0000 156.8719 T0311.try4-opt2.pdb.gz 97 0.5200 1.4817 1.5749 2.9065 2.9042 3.2076 3.4791 -0.2933 0.1729 0.1177 -6.8738 -0.1849 0.0565 0.0103 0.0195 -0.2808 -0.3478 -0.3453 -0.7880 -0.5984 -0.0506 0.0000 0.0000 157.4417 T0311.try8-opt1.pdb.gz 97 0.4934 1.5454 1.5929 2.9204 2.8722 3.1993 3.4912 -0.0866 0.2039 0.0903 -6.6865 -0.1760 0.0709 0.0309 0.0101 -0.3011 -0.3564 -0.3550 -0.8233 -0.6239 -0.0402 0.0000 0.0000 158.2193 T0311.try6-opt1.pdb.gz 97 0.5148 1.5199 1.6020 2.8927 2.8855 3.2640 3.5325 0.3903 0.1333 0.1134 -6.7901 -0.1840 0.0559 0.0103 0.0191 -0.3172 -0.3772 -0.3736 -0.7854 -0.6048 -0.0467 0.0000 0.0000 158.8997 T0311.try4-opt1.pdb.gz 97 0.5175 1.4804 1.5846 2.9273 2.9115 3.2070 3.4791 -0.2940 0.1772 0.1146 -6.8189 -0.1849 0.0633 0.0103 0.0198 -0.2809 -0.3475 -0.3450 -0.7862 -0.5969 -0.0495 0.0000 0.0000 158.9654 T0311.try2-opt2.pdb.gz 97 0.5226 1.4807 1.5923 2.9202 2.9095 3.2139 3.4828 -0.2771 0.1786 0.1157 -6.7794 -0.1849 0.0678 0.0103 0.0204 -0.2809 -0.3475 -0.3450 -0.7863 -0.5968 -0.0497 0.0000 0.0000 159.7226 T0311.try3-opt2.pdb.gz 97 0.5172 1.5163 1.5941 2.9157 2.8902 3.2626 3.5335 0.4175 0.1300 0.1129 -6.8428 -0.1715 0.0629 0.0000 0.0182 -0.2671 -0.3289 -0.3260 -0.7754 -0.6007 -0.0461 0.0000 0.0000 160.0032 T0311.try11-opt2.repack-nonPC.pdb.gz 97 0.5638 1.5310 1.5963 2.9730 2.9303 3.2534 3.5100 -0.0573 0.0899 0.1326 -6.6771 -0.1553 0.0368 0.0206 0.0076 -0.2708 -0.3261 -0.3261 -0.7722 -0.6229 -0.0403 0.0000 0.0000 160.0145 T0311.try10-opt2.repack-nonPC.pdb.gz 97 0.5512 1.5417 1.6068 2.9639 2.9299 3.2531 3.4846 -0.0651 0.1554 0.0982 -6.7850 -0.1701 0.0722 0.0103 0.0134 -0.3959 -0.4183 -0.4169 -0.7405 -0.6141 -0.0401 0.0000 0.0000 160.8998 T0311.try5-opt1.pdb.gz 97 0.5355 1.5028 1.5730 2.9141 2.8681 3.1726 3.4283 -0.6669 0.1813 0.1188 -6.5229 -0.1656 0.0749 0.0206 0.0260 -0.2986 -0.3640 -0.3629 -0.7383 -0.5709 -0.0415 0.0000 0.0000 161.3369 T0311.try1-opt2.pdb.gz 97 0.5521 1.5355 1.5726 2.9428 2.9245 3.2611 3.5035 0.1893 0.1032 0.0940 -6.7462 -0.1707 0.1072 0.0103 0.0156 -0.3192 -0.3749 -0.3729 -0.7876 -0.6230 -0.0397 0.0000 0.0000 162.4628 T0311.try5-opt2.repack-nonPC.pdb.gz 97 0.5653 1.5012 1.5577 2.9600 2.9206 3.2368 3.4642 -0.6720 0.1700 0.1091 -6.5964 -0.1692 0.0833 0.0103 0.0190 -0.3345 -0.3796 -0.3776 -0.7207 -0.5953 -0.0419 0.0000 0.0000 162.9558 T0311.try11-opt2.gromacs0.pdb.gz 97 0.5082 1.5439 1.6171 2.9180 2.8960 3.1884 3.4803 -0.1607 0.1299 0.2043 -6.0233 -0.1571 0.0076 0.0103 0.0000 -0.0848 -0.1501 -0.1499 -0.8219 -0.5851 -0.0398 0.0000 0.0000 163.1831 T0311.try9-opt2.pdb.gz 97 0.5049 1.5496 1.5944 2.8916 2.8854 3.1600 3.4461 -0.5422 0.1603 0.1309 -6.7020 -0.1986 0.0806 0.0103 0.0371 -0.1786 -0.2100 -0.2128 -0.7293 -0.5280 -0.0401 0.0000 0.0000 163.6649 T0311.try8-opt2.repack-nonPC.pdb.gz 97 0.5475 1.5418 1.5973 2.9736 2.9322 3.2552 3.4982 -0.0650 0.1902 0.0974 -6.6599 -0.1731 0.0841 0.0309 0.0145 -0.3753 -0.4067 -0.4075 -0.7339 -0.6256 -0.0403 0.0000 0.0000 163.6744 T0311.try4-opt2.repack-nonPC.pdb.gz 97 0.5807 1.4817 1.5749 2.9522 2.9720 3.3030 3.5293 -0.2156 0.1729 0.1177 -6.8008 -0.1849 0.0610 0.0103 0.0195 -0.2808 -0.3478 -0.3453 -0.7226 -0.5984 -0.0506 0.0000 0.0000 163.9325 T0311.try10-opt2.gromacs0.pdb.gz 97 0.5072 1.5493 1.6327 2.9325 2.8928 3.1831 3.4771 -0.1475 0.1202 0.1963 -5.9894 -0.1571 0.0118 0.0206 0.0048 -0.0942 -0.1606 -0.1606 -0.8150 -0.5959 -0.0380 0.0000 0.0000 164.1642 T0311.try6-opt2.repack-nonPC.pdb.gz 97 0.5468 1.5186 1.6063 2.9346 2.9347 3.3209 3.5550 0.4375 0.1271 0.1108 -6.6362 -0.1840 0.0639 0.0000 0.0211 -0.3184 -0.3781 -0.3745 -0.7370 -0.6210 -0.0474 0.0000 0.0000 164.3097 T0311.try8-opt2.gromacs0.pdb.gz 97 0.4977 1.5469 1.6296 2.9349 2.8817 3.1828 3.4765 -0.1401 0.1313 0.1951 -5.9880 -0.1392 0.0143 0.0206 0.0047 -0.1068 -0.1709 -0.1706 -0.7928 -0.5888 -0.0366 0.0000 0.0000 164.3632 T0311.try2-opt2.repack-nonPC.pdb.gz 97 0.5811 1.4807 1.5923 2.9617 2.9740 3.3161 3.5294 -0.2029 0.1786 0.1157 -6.7127 -0.1849 0.0636 0.0103 0.0204 -0.2809 -0.3475 -0.3450 -0.7304 -0.5968 -0.0497 0.0000 0.0000 165.5578 T0311.try2-opt1.pdb.gz 97 0.5365 1.4869 1.6043 2.9541 2.9168 3.2670 3.4947 -0.2607 0.1968 0.1091 -6.5876 -0.1819 0.1044 0.0206 0.0189 -0.2722 -0.3400 -0.3375 -0.7241 -0.5873 -0.0489 0.0000 0.0000 165.7258 T0311.try3-opt1.pdb.gz 97 0.5139 1.5196 1.5916 2.9249 2.9187 3.3022 3.5467 0.4882 0.1370 0.1150 -6.6650 -0.1738 0.0934 0.0000 0.0229 -0.2332 -0.3122 -0.3086 -0.7477 -0.5964 -0.0460 0.0000 0.0000 165.9189 T0311.try3-opt2.repack-nonPC.pdb.gz 97 0.5593 1.5163 1.5941 2.9620 2.9589 3.3297 3.5712 0.5231 0.1300 0.1129 -6.6329 -0.1715 0.0527 0.0000 0.0182 -0.2671 -0.3289 -0.3260 -0.7161 -0.6007 -0.0461 0.0000 0.0000 166.1458 T0311.try11-opt1-scwrl.pdb.gz 97 0.5709 1.5307 1.6096 2.9967 2.9525 3.2425 3.5039 -0.0824 0.1022 0.1372 -6.7322 -0.1543 0.1682 0.0206 0.0059 -0.2451 -0.2921 -0.2937 -0.7561 -0.6161 -0.0398 0.0000 0.0000 167.7364 T0311.try1-opt2.repack-nonPC.pdb.gz 97 0.5684 1.5355 1.5726 2.9875 2.9892 3.2774 3.5116 0.1903 0.1032 0.0940 -6.5445 -0.1707 0.1144 0.0103 0.0156 -0.3192 -0.3749 -0.3729 -0.7208 -0.6230 -0.0397 0.0000 0.0000 167.8118 T0311.try5-opt1-scwrl.pdb.gz 97 0.5596 1.5028 1.5730 3.0306 2.9205 3.2311 3.4674 -0.6570 0.1813 0.1188 -6.8702 -0.1656 0.1586 0.0206 0.0260 -0.2986 -0.3640 -0.3629 -0.6957 -0.5709 -0.0415 0.0000 0.0000 168.0503 T0311.try10-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5517 1.5493 1.6327 3.0010 2.9170 3.2398 3.5070 -0.0517 0.1202 0.1963 -6.0334 -0.1571 0.0230 0.0206 0.0048 -0.0942 -0.1606 -0.1606 -0.7216 -0.5959 -0.0380 0.0000 0.0000 168.6770 T0311.try9-opt1.pdb.gz 97 0.5042 1.5391 1.6015 2.9055 2.9021 3.1856 3.4615 -0.5387 0.1579 0.1334 -6.6272 -0.1962 0.1133 0.0206 0.0432 -0.1247 -0.1648 -0.1681 -0.6959 -0.5099 -0.0399 0.0000 0.0000 168.9223 T0311.try11-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5632 1.5439 1.6171 2.9893 2.9359 3.2539 3.5167 -0.0745 0.1299 0.2043 -6.0457 -0.1571 0.0299 0.0103 0.0000 -0.0848 -0.1501 -0.1499 -0.7274 -0.5851 -0.0398 0.0000 0.0000 169.1753 T0311.try1-opt1.pdb.gz 97 0.5763 1.5352 1.5758 2.9839 2.9457 3.2884 3.5343 0.2518 0.1090 0.1006 -6.3854 -0.1587 0.1348 0.0103 0.0135 -0.2603 -0.3385 -0.3366 -0.7263 -0.6108 -0.0380 0.0000 0.0000 170.1875 T0311.try9-opt2.repack-nonPC.pdb.gz 97 0.5412 1.5496 1.5944 2.9548 2.9635 3.2413 3.4627 -0.4705 0.1603 0.1309 -6.6386 -0.1986 0.0892 0.0103 0.0371 -0.1786 -0.2100 -0.2128 -0.6251 -0.5280 -0.0401 0.0000 0.0000 170.3319 T0311.try10-opt1-scwrl.pdb.gz 97 0.5646 1.5420 1.6050 3.0221 2.9445 3.2483 3.5104 -0.0764 0.1725 0.0958 -6.8747 -0.1731 0.2385 0.0206 0.0126 -0.3753 -0.4067 -0.4075 -0.7636 -0.6239 -0.0399 0.0000 0.0000 170.3787 T0311.try4-opt1-scwrl.pdb.gz 97 0.5674 1.4804 1.5846 3.0181 3.0055 3.3001 3.5213 -0.2465 0.1772 0.1146 -6.9101 -0.1849 0.1693 0.0103 0.0198 -0.2809 -0.3475 -0.3450 -0.7376 -0.5969 -0.0495 0.0000 0.0000 170.3968 T0311.try6-opt1-scwrl.pdb.gz 97 0.5593 1.5199 1.6020 3.0093 2.9359 3.2897 3.5585 0.4673 0.1333 0.1134 -6.8449 -0.1840 0.1968 0.0103 0.0191 -0.3172 -0.3772 -0.3736 -0.7589 -0.6048 -0.0467 0.0000 0.0000 170.5689 T0311.try5-opt2.gromacs0.pdb.gz 97 0.5397 1.5119 1.5984 2.9631 2.8714 3.1603 3.4338 -0.7223 0.1516 0.2054 -5.3687 -0.1369 0.0289 0.0309 0.0161 0.0106 -0.1312 -0.1269 -0.7695 -0.5752 -0.0457 0.0000 0.0000 171.8227 T0311.try3-opt1-scwrl.pdb.gz 97 0.5630 1.5196 1.5916 3.0000 2.9523 3.2976 3.5710 0.5203 0.1370 0.1150 -6.7921 -0.1738 0.1642 0.0000 0.0229 -0.2332 -0.3122 -0.3086 -0.6989 -0.5964 -0.0460 0.0000 0.0000 171.8766 T0311.try8-opt1-scwrl.pdb.gz 97 0.5643 1.5454 1.5929 3.0424 2.9465 3.2576 3.5144 -0.0049 0.2039 0.0903 -6.7663 -0.1760 0.2211 0.0309 0.0101 -0.3011 -0.3564 -0.3550 -0.7564 -0.6239 -0.0402 0.0000 0.0000 171.9400 T0311.try8-opt2.gromacs0.repack-nonPC.pdb.gz 97 0.5512 1.5469 1.6296 2.9853 2.9468 3.2602 3.5134 -0.0486 0.1313 0.1951 -5.9669 -0.1392 0.0561 0.0206 0.0047 -0.1068 -0.1709 -0.1706 -0.7152 -0.5888 -0.0366 0.0000 0.0000 171.9725 T0311.try4-opt2.gromacs0.pdb.gz 97 0.5189 1.5089 1.6119 2.9561 2.9359 3.2253 3.4854 -0.2902 0.1377 0.1862 -5.4099 -0.1408 0.0199 0.0206 0.0047 0.0444 -0.0630 -0.0629 -0.7639 -0.5913 -0.0471 0.0000 0.0000 172.4297 T0311.try6-opt2.gromacs0.pdb.gz 97 0.4926 1.5254 1.6274 2.9312 2.8949 3.2565 3.5330 0.3184 0.1168 0.2113 -5.4125 -0.1582 0.0104 0.0000 0.0150 -0.0479 -0.1234 -0.1211 -0.8101 -0.5839 -0.0443 0.0000 0.0000 172.7179 T0311.try2-opt2.gromacs0.pdb.gz 97 0.5303 1.5129 1.5942 2.9761 2.9419 3.2239 3.4903 -0.2753 0.1310 0.1874 -5.3864 -0.1377 0.0209 0.0206 0.0050 0.0358 -0.0724 -0.0722 -0.7840 -0.5856 -0.0460 0.0000 0.0000 173.2114 T0311.try3-opt2.gromacs0.pdb.gz 97 0.5148 1.5210 1.6170 2.9745 2.9023 3.2805 3.5386 0.4169 0.1264 0.2003 -5.4795 -0.1453 0.0058 0.0000 0.0162 -0.0362 -0.1099 -0.1077 -0.7763 -0.5825 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0.1254 -0.2980 -0.3525 -0.3486 -0.7670 -0.5833 -0.0461 0.0000 0.0000 179.5425 T0311.try1-opt2.gromacs0.pdb.gz 97 0.5592 1.5530 1.5746 3.0021 2.9386 3.2710 3.5116 0.1936 0.1227 0.2075 -5.5593 -0.1203 0.0359 0.0619 0.0281 0.0428 -0.1019 -0.0990 -0.7386 -0.5758 -0.0365 0.0000 0.0000 179.7862 T0311.try9-opt1-scwrl.pdb.gz 97 0.5580 1.5391 1.6015 3.0536 2.9786 3.2533 3.4905 -0.4739 0.1579 0.1334 -6.6321 -0.1962 0.1859 0.0206 0.0432 -0.1247 -0.1648 -0.1681 -0.6252 -0.5099 -0.0399 0.0000 0.0000 179.8363 helixDownFromTry6.renum.pdb 97 0.5237 1.5762 1.6249 2.9789 2.9252 3.2850 3.5051 0.0733 0.1273 0.1110 -6.7282 -0.1604 0.4733 0.0000 0.0211 -0.3146 -0.3823 -0.3816 -0.8646 -0.6210 -0.0474 0.0000 0.0000 182.7142 T0311.try7-opt2.repack-nonPC.pdb.gz 97 0.5580 1.4955 1.5514 3.0029 2.9611 3.2430 3.5034 -0.6995 0.1451 0.1554 -6.5284 -0.1806 0.1246 0.0309 0.1217 -0.3486 -0.4028 -0.3982 -0.7033 -0.5901 -0.0478 0.0000 0.0000 182.8838 T0311.try7-opt1-scwrl.pdb.gz 97 0.5691 1.5024 1.5735 3.0463 2.9310 3.2464 3.5126 -0.6804 0.1494 0.1602 -6.7019 -0.1836 0.2859 0.0619 0.1254 -0.2980 -0.3525 -0.3486 -0.7147 -0.5833 -0.0461 0.0000 0.0000 191.5884 try8MoveCtermOutTake2.renum.pdb 97 0.4588 1.4896 1.5044 2.9456 3.1240 3.6234 4.0050 6.7329 0.1902 0.0973 -6.3311 -0.1387 0.1210 0.0206 0.0145 -0.2576 -0.2886 -0.2900 -0.8030 -0.6163 -0.0310 0.0000 0.0000 193.8619 T0311.try7-opt2.gromacs0.pdb.gz 97 0.5275 1.5117 1.5987 2.9682 2.8883 3.1797 3.4726 -0.7016 0.4763 0.2491 -4.5934 -0.1434 0.0497 0.1134 0.0762 -0.0122 -0.1019 -0.0979 -0.7671 -0.5528 -0.0451 0.0000 0.0000 196.8966 fromTry1cTermRotAndCap.renum.pdb 97 0.6290 1.6083 1.6854 3.0963 3.1056 3.3395 3.4577 -0.7356 0.1029 0.0940 -6.3230 -0.1553 0.7697 0.1237 0.0156 -0.2998 -0.3523 -0.3539 -0.7733 -0.6230 -0.0397 0.0000 0.0000 208.4049 fromTry4breakatS75.renum.pdb 97 0.5627 1.5541 1.6630 3.1371 2.9999 3.2366 3.4572 -0.7580 0.1727 0.1178 -6.5535 -0.1691 0.9680 0.0722 0.0195 -0.2546 -0.3203 -0.3212 -0.7596 -0.5885 -0.0406 0.0000 0.0000 214.7209