# 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 + 10 * n_ca_c + 20 * bad_peptide + 5 * sidechain + 8 * bystroff + 40 * soft_clashes + 2 * backbone_clashes + 150 * break + 1 * pred_alpha2k + 1 * pred_alpha04 + 1 * pred_alpha06 + 10 * 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 T0304.try6-opt2.pdb.gz 122 0.5704 1.7374 1.7531 2.9764 2.9545 3.3003 3.5119 -0.5989 0.5667 0.2256 -4.3817 -0.1201 0.0863 0.0246 0.0637 0.5642 0.6024 0.6024 -0.3894 -0.2873 -0.2116 -0.1781 0.0000 162.5826 T0304.try23-opt2.pdb.gz 122 0.5947 1.7505 1.7227 3.1153 3.0340 3.3952 3.5633 -0.4060 0.3940 0.2131 -4.4362 -0.0129 0.0792 0.0410 0.0564 0.9502 0.8194 0.8194 -0.5527 -0.4075 -0.2163 -0.1747 0.0000 163.9577 T0304.try24-opt2.pdb.gz 122 0.5889 1.7446 1.7316 3.0118 3.0100 3.3649 3.5421 -0.4238 0.3919 0.1478 -4.8645 -0.0484 0.2395 0.0410 0.0831 0.6686 0.5995 0.5995 -0.5816 -0.4201 -0.2218 -0.1871 0.0000 165.2693 T0304.try6-opt1.pdb.gz 122 0.5720 1.7533 1.7634 3.0143 2.9850 3.3178 3.5204 -0.5812 0.5819 0.2187 -4.0867 -0.1409 0.0754 0.0328 0.0635 0.5253 0.5686 0.5686 -0.3721 -0.2702 -0.2084 -0.1737 0.0000 165.9673 T0304.try23-opt2.repack-nonPC.pdb.gz 122 0.6000 1.7505 1.7227 3.1455 3.0822 3.4019 3.5651 -0.3793 0.3940 0.2131 -4.1599 -0.0129 0.0651 0.0410 0.0564 0.9502 0.8194 0.8194 -0.5555 -0.4075 -0.2163 -0.1747 0.0000 166.4073 T0304.try6-opt2.repack-nonPC.pdb.gz 122 0.5823 1.7374 1.7531 3.0514 3.0348 3.2947 3.5170 -0.5924 0.5667 0.2256 -4.0125 -0.1201 0.0672 0.0246 0.0637 0.5642 0.6024 0.6024 -0.3998 -0.2873 -0.2116 -0.1781 0.0000 166.4217 T0304.try25-opt2.pdb.gz 122 0.5988 1.7255 1.7059 3.0824 3.1155 3.4308 3.5728 -0.2916 0.5345 0.2187 -3.9000 -0.0367 0.0842 0.0328 0.0331 1.1506 1.0323 1.0323 -0.5110 -0.3664 -0.2260 -0.1809 0.0000 166.8072 T0304.try6-opt2.gromacs0.pdb.gz 122 0.5647 1.7676 1.7949 3.0124 2.9831 3.3108 3.5147 -0.5975 0.2554 0.2745 -2.5029 -0.1170 0.0341 0.0164 0.0229 1.6571 1.7454 1.7454 -0.3862 -0.2797 -0.2083 -0.1741 0.0000 167.2602 T0304.try5-opt2.pdb.gz 122 0.5728 1.7469 1.7535 3.0261 2.9954 3.3359 3.5252 -0.5650 0.5878 0.2173 -3.8760 -0.1380 0.0681 0.0410 0.0613 0.5540 0.6119 0.6119 -0.3679 -0.2652 -0.2048 -0.1692 0.0000 167.9565 T0304.try33-opt2.pdb.gz 122 0.5600 1.6131 1.6488 3.1500 3.0908 3.6006 3.7589 0.9774 0.3677 0.1242 -4.9524 -0.2416 0.1008 0.0164 0.0257 0.6744 0.5984 0.5984 -0.4833 -0.3503 -0.1523 -0.1365 0.0000 168.1824 T0304.try24-opt2.repack-nonPC.pdb.gz 122 0.5981 1.7446 1.7316 3.0900 3.0716 3.4313 3.5675 -0.3683 0.3919 0.1478 -4.6836 -0.0484 0.2088 0.0410 0.0831 0.6686 0.5995 0.5995 -0.5799 -0.4201 -0.2218 -0.1871 0.0000 168.7404 T0304.try5-opt2.repack-nonPC.pdb.gz 122 0.5729 1.7469 1.7535 3.0885 3.0617 3.3301 3.5331 -0.5682 0.5878 0.2173 -3.9516 -0.1380 0.0450 0.0410 0.0613 0.5540 0.6119 0.6119 -0.3439 -0.2652 -0.2048 -0.1692 0.0000 169.1033 T0304.try34-opt2.pdb.gz 122 0.6179 1.8294 1.8367 2.9868 3.0834 3.6263 3.7616 0.0906 0.4141 0.1036 -4.9178 -0.1544 0.1558 0.0328 0.0417 0.7546 0.6493 0.6493 -0.5075 -0.4140 -0.2101 -0.1358 0.0000 169.1493 T0304.try3-opt2.pdb.gz 122 0.5977 1.6316 1.6375 3.1493 3.2971 3.6567 3.8053 1.3982 0.2015 0.1204 -5.6225 -0.2656 0.0561 0.0082 0.0295 0.4831 0.4942 0.4942 -0.4534 -0.2895 -0.1327 -0.1422 0.0000 169.2256 T0304.try3-opt2.repack-nonPC.pdb.gz 122 0.5974 1.6316 1.6375 3.1767 3.3328 3.6792 3.7993 1.4171 0.2015 0.1204 -5.6440 -0.2656 0.0488 0.0082 0.0295 0.4831 0.4942 0.4942 -0.4446 -0.2895 -0.1327 -0.1422 0.0000 170.3798 T0304.try5-opt2.gromacs0.pdb.gz 122 0.5739 1.7906 1.7623 3.0448 3.0153 3.3271 3.5288 -0.5593 0.2749 0.2766 -2.1929 -0.0887 0.0227 0.0246 0.0202 1.6759 1.7619 1.7619 -0.3844 -0.2695 -0.2042 -0.1671 0.0000 171.1233 T0304.try23-opt1.pdb.gz 122 0.5922 1.7629 1.7255 3.1233 3.0682 3.4150 3.5596 -0.4001 0.4091 0.2208 -3.8607 0.0189 0.1013 0.0738 0.0590 1.0266 0.8875 0.8875 -0.5354 -0.3988 -0.2085 -0.1671 0.0000 171.4923 T0304.try32-opt2.pdb.gz 122 0.5853 1.7415 1.6913 3.1648 3.1016 3.4160 3.5542 -0.2783 0.3297 0.2100 -4.7937 -0.1155 0.1274 0.0574 0.1119 0.6166 0.4854 0.4854 -0.5005 -0.3694 -0.2294 -0.1771 0.0000 172.2091 T0304.try33-opt1.pdb.gz 122 0.5687 1.6214 1.6632 3.1712 3.1288 3.6228 3.7558 0.9001 0.3927 0.1283 -4.9223 -0.2266 0.1381 0.0164 0.0270 0.6757 0.5987 0.5987 -0.4885 -0.3480 -0.1499 -0.1343 0.0000 172.2700 T0304.try28-opt2.pdb.gz 122 0.5780 1.7211 1.7657 3.1610 3.0398 3.4536 3.6771 -0.1581 0.4298 0.2114 -4.1702 0.0396 0.0821 0.0492 0.0316 1.8392 1.9366 1.9366 -0.5088 -0.3665 -0.1896 -0.1528 0.0000 172.4937 T0304.try34-opt2.repack-nonPC.pdb.gz 122 0.6419 1.8294 1.8367 3.1053 3.1400 3.6739 3.7817 0.0456 0.4141 0.1036 -4.7780 -0.1544 0.1309 0.0328 0.0417 0.7546 0.6493 0.6493 -0.5162 -0.4140 -0.2101 -0.1358 0.0000 172.7573 T0304.try2-opt2.pdb.gz 122 0.5787 1.5906 1.6042 3.0632 3.2085 3.6301 3.7688 1.1576 0.1469 0.0973 -5.6280 -0.1619 0.0489 0.0246 0.0211 0.4604 0.4242 0.4242 -0.5020 -0.3437 -0.0623 -0.0628 0.0000 172.9859 T0304.try33-opt2.repack-nonPC.pdb.gz 122 0.5794 1.6131 1.6488 3.2557 3.1409 3.6970 3.8017 1.0241 0.3677 0.1242 -4.7827 -0.2416 0.0870 0.0164 0.0257 0.6744 0.5984 0.5984 -0.4807 -0.3503 -0.1523 -0.1365 0.0000 173.1334 T0304.try25-opt1.pdb.gz 122 0.6047 1.7452 1.7096 3.1309 3.1424 3.4586 3.5799 -0.2711 0.5607 0.2302 -3.6003 -0.0130 0.1036 0.0410 0.0374 1.1261 1.0075 1.0075 -0.4985 -0.3565 -0.2203 -0.1772 0.0000 173.1897 T0304.try4-opt2.pdb.gz 122 0.6062 1.5469 1.5912 3.1433 3.2115 3.5623 3.7205 1.0365 0.1401 0.1240 -5.7670 -0.1502 0.0547 0.0164 0.0264 0.3637 0.3504 0.3504 -0.4671 -0.3362 -0.0870 -0.0567 0.0000 173.3013 T0304.try35-opt2.pdb.gz 122 0.5811 1.7095 1.7803 3.1511 3.0490 3.4664 3.6647 -0.1602 0.5148 0.1397 -4.8509 -0.0484 0.2270 0.0410 0.0614 0.8816 0.9061 0.9061 -0.5542 -0.3886 -0.2026 -0.1583 0.0000 173.3813 T0304.try3-opt2.gromacs0.pdb.gz 122 0.6005 1.6530 1.6597 3.1774 3.3218 3.6632 3.8130 1.3923 0.1268 0.2091 -4.6306 -0.2971 0.0149 0.0082 0.0226 0.9269 0.8982 0.8982 -0.4480 -0.2855 -0.1319 -0.1407 0.0000 175.1144 T0304.try3-opt1.pdb.gz 122 0.6118 1.6628 1.6452 3.2159 3.3463 3.7008 3.8122 1.4438 0.1748 0.1059 -5.1977 -0.2849 0.0833 0.0246 0.0207 0.7022 0.6849 0.6849 -0.4183 -0.2646 -0.1290 -0.1385 0.0000 175.3729 T0304.try35-opt2.repack-nonPC.pdb.gz 122 0.5868 1.7095 1.7803 3.2182 3.0900 3.4850 3.6846 -0.1684 0.5148 0.1397 -4.5225 -0.0484 0.1809 0.0410 0.0614 0.8816 0.9061 0.9061 -0.5009 -0.3886 -0.2026 -0.1583 0.0000 175.9877 T0304.try2-opt2.repack-nonPC.pdb.gz 122 0.5933 1.5906 1.6042 3.0793 3.2216 3.6502 3.7637 1.2198 0.1469 0.0973 -5.3062 -0.1619 0.0558 0.0246 0.0211 0.4604 0.4242 0.4242 -0.4897 -0.3437 -0.0623 -0.0628 0.0000 176.1141 T0304.try33-opt2.gromacs0.pdb.gz 122 0.5678 1.6310 1.6614 3.1978 3.1052 3.6156 3.7644 0.9760 0.2381 0.2342 -3.7504 -0.2490 0.0297 0.0164 0.0308 1.1672 1.0788 1.0788 -0.4819 -0.3407 -0.1526 -0.1350 0.0000 176.1814 T0304.try17-opt2.pdb.gz 122 0.5776 1.6082 1.6650 3.1624 3.1096 3.5981 3.7258 0.8197 0.3745 0.1442 -5.2003 -0.1870 0.2254 0.0164 0.0485 0.4411 0.3774 0.3774 -0.4789 -0.3394 -0.1492 -0.1346 0.0000 176.4445 T0304.try4-opt2.repack-nonPC.pdb.gz 122 0.5840 1.5469 1.5912 3.1680 3.2393 3.5701 3.7378 1.0779 0.1401 0.1240 -5.3225 -0.1502 0.0699 0.0164 0.0264 0.3637 0.3504 0.3504 -0.4886 -0.3362 -0.0870 -0.0567 0.0000 176.7956 T0304.try4-opt2.gromacs0.pdb.gz 122 0.6105 1.5633 1.5902 3.1796 3.2319 3.5751 3.7295 1.0283 0.1490 0.1987 -4.8237 -0.1597 0.0180 0.0082 0.0000 0.8452 0.8172 0.8172 -0.4682 -0.3426 -0.0861 -0.0565 0.0000 176.8086 T0304.try28-opt2.repack-nonPC.pdb.gz 122 0.6021 1.7211 1.7657 3.2178 3.0757 3.4726 3.6878 -0.1745 0.4298 0.2114 -3.9260 0.0396 0.0994 0.0492 0.0316 1.8392 1.9366 1.9366 -0.4836 -0.3665 -0.1896 -0.1528 0.0000 176.8967 T0304.try34-opt1.pdb.gz 122 0.6288 1.8431 1.8548 3.0334 3.1179 3.6779 3.7951 0.0753 0.4258 0.1152 -4.9804 -0.1511 0.2124 0.0410 0.0560 0.7196 0.6314 0.6314 -0.4896 -0.4094 -0.2065 -0.1322 0.0000 176.9482 T0304.try24-opt1.pdb.gz 122 0.5923 1.7588 1.7387 3.0777 3.0373 3.4058 3.5538 -0.3995 0.4165 0.1522 -4.4944 0.0106 0.3144 0.0492 0.0874 0.6455 0.5707 0.5707 -0.5408 -0.4064 -0.2085 -0.1673 0.0000 177.1065 T0304.try23-opt2.gromacs0.pdb.gz 122 0.5943 1.7535 1.7119 3.1639 3.0675 3.4083 3.5695 -0.4048 0.2986 0.2874 -2.4572 0.2079 0.0408 0.0164 0.0409 1.8611 1.7896 1.7896 -0.5458 -0.3880 -0.2139 -0.1725 0.0000 177.2727 T0304.try26-opt2.pdb.gz 122 0.6093 1.8520 1.8811 3.0364 3.0521 3.6342 3.7763 0.0517 0.3008 0.2088 -3.7613 -0.0827 0.0830 0.0246 0.0570 0.8749 0.8773 0.8773 -0.5319 -0.3985 -0.2017 -0.1347 0.0000 177.2974 T0304.try25-opt2.gromacs0.pdb.gz 122 0.5966 1.7356 1.7429 3.1223 3.1456 3.4220 3.5679 -0.2974 0.2804 0.2846 -2.2844 -0.0366 0.0447 0.0246 0.0401 1.8110 1.7212 1.7212 -0.4924 -0.3555 -0.2206 -0.1769 0.0000 177.3558 T0304.try17-opt2.repack-nonPC.pdb.gz 122 0.5855 1.6082 1.6650 3.2627 3.1089 3.6638 3.7726 0.9793 0.3745 0.1442 -5.0380 -0.1870 0.1392 0.0164 0.0485 0.4411 0.3774 0.3774 -0.4314 -0.3394 -0.1492 -0.1346 0.0000 177.4282 T0304.try32-opt2.repack-nonPC.pdb.gz 122 0.6083 1.7415 1.6913 3.2589 3.1933 3.4326 3.5558 -0.2690 0.3297 0.2100 -4.5438 -0.1155 0.1281 0.0574 0.1119 0.6166 0.4854 0.4854 -0.4839 -0.3694 -0.2294 -0.1771 0.0000 177.5169 T0304.try28-opt1.pdb.gz 122 0.5903 1.7250 1.7759 3.1825 3.0508 3.4564 3.6757 -0.1596 0.4857 0.2166 -3.9293 0.0470 0.0962 0.0492 0.0345 1.8395 1.9367 1.9367 -0.4947 -0.3547 -0.1822 -0.1456 0.0000 177.6091 T0304.try33-opt1-scwrl.pdb.gz 122 0.5882 1.6214 1.6632 3.2993 3.1629 3.7019 3.7892 0.9798 0.3927 0.1283 -5.4068 -0.2266 0.2158 0.0164 0.0270 0.6757 0.5987 0.5987 -0.4579 -0.3480 -0.1499 -0.1343 0.0000 177.6715 T0304.try32-opt1.pdb.gz 122 0.5892 1.7422 1.6913 3.1558 3.1267 3.4257 3.5651 -0.2906 0.3450 0.2246 -4.7383 -0.1170 0.1746 0.0656 0.1258 0.4769 0.3940 0.3940 -0.5027 -0.3684 -0.2252 -0.1740 0.0000 177.7066 T0304.try5-opt1.pdb.gz 122 0.5769 1.7736 1.7830 3.0983 3.0492 3.3328 3.5397 -0.5833 0.5589 0.2209 -3.0121 -0.1330 0.0888 0.0328 0.0570 0.7458 0.7987 0.7987 -0.3550 -0.2495 -0.1901 -0.1522 0.0000 178.0353 T0304.try2-opt2.gromacs0.pdb.gz 122 0.5840 1.5979 1.6180 3.0778 3.2141 3.6382 3.7677 1.1539 0.1250 0.2015 -4.7881 -0.2273 0.0112 0.0246 0.0126 0.8823 0.8386 0.8386 -0.4966 -0.3372 -0.0611 -0.0602 0.0000 178.0620 T0304.try33-opt2.gromacs0.repack-nonPC.pdb.gz 122 0.5836 1.6310 1.6614 3.2586 3.1413 3.6852 3.7885 1.0382 0.2381 0.2342 -4.1229 -0.2490 0.0401 0.0164 0.0308 1.1672 1.0788 1.0788 -0.4524 -0.3407 -0.1526 -0.1350 0.0000 178.1919 T0304.try23-opt2.gromacs0.repack-nonPC.pdb.gz 122 0.5876 1.7535 1.7119 3.1608 3.0918 3.4305 3.5835 -0.4136 0.2986 0.2874 -2.4757 0.2079 0.0405 0.0164 0.0409 1.8611 1.7896 1.7896 -0.5121 -0.3880 -0.2139 -0.1725 0.0000 178.2321 T0304.try2-opt1.pdb.gz 122 0.5729 1.5878 1.6056 3.0845 3.2300 3.6456 3.7750 1.1950 0.1341 0.0865 -5.3488 -0.1836 0.1027 0.0410 0.0145 0.6752 0.6409 0.6409 -0.4746 -0.3255 -0.0529 -0.0526 0.0000 178.6449 T0304.try4-opt1.pdb.gz 122 0.6005 1.5429 1.5945 3.2046 3.2363 3.5617 3.7220 1.0407 0.1332 0.1168 -5.2291 -0.1673 0.0934 0.0082 0.0212 0.4961 0.4760 0.4760 -0.4606 -0.3282 -0.0837 -0.0532 0.0000 178.7733 T0304.try26-opt2.repack-nonPC.pdb.gz 122 0.6339 1.8520 1.8811 3.0984 3.1355 3.6655 3.7873 -0.0250 0.3008 0.2088 -3.7802 -0.0827 0.0719 0.0246 0.0570 0.8749 0.8773 0.8773 -0.5203 -0.3985 -0.2017 -0.1347 0.0000 180.2100 T0304.try35-opt1.pdb.gz 122 0.5893 1.7268 1.7720 3.1612 3.0399 3.4730 3.6673 -0.1741 0.5529 0.1489 -4.6322 -0.0250 0.2761 0.0656 0.0754 0.8823 0.9062 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