# 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 + 7 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 30 * soft_clashes + 2 * backbone_clashes + 80 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 25 * 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 T0370.try51-opt2.pdb.gz 154 0.5176 1.6367 1.6097 2.9119 3.0056 3.3413 3.5076 -0.0863 -4.7466 0.3776 0.1196 -0.1734 0.0701 0.0195 0.0317 0.5760 0.3748 0.2847 0.1378 -0.5677 -0.4519 -0.2845 -0.2434 0.0000 139.1821 T0370.try31-opt2.pdb.gz 154 0.5107 1.6310 1.6231 2.9372 3.0031 3.3302 3.5113 0.0515 -4.5387 0.3557 0.1212 -0.1531 0.0565 0.0130 0.0274 0.5710 0.3907 0.2879 0.1370 -0.6272 -0.4812 -0.2809 -0.2445 0.0000 139.3045 T0370.try50-opt2.pdb.gz 154 0.5056 1.6297 1.6033 2.9256 3.0281 3.3538 3.5484 0.1982 -4.7265 0.3513 0.1211 -0.1443 0.0540 0.0130 0.0327 0.4753 0.3125 0.1965 0.1500 -0.6147 -0.4904 -0.2795 -0.2436 0.0000 139.6314 T0370.try50-opt1.pdb.gz 154 0.5070 1.6329 1.6042 2.9263 3.0295 3.3576 3.5494 0.1991 -4.6493 0.3547 0.1196 -0.1395 0.0588 0.0130 0.0296 0.5319 0.3406 0.2214 0.1360 -0.6148 -0.4903 -0.2806 -0.2443 0.0000 139.8285 T0370.try51-opt1.pdb.gz 154 0.5174 1.6378 1.6149 2.9145 3.0078 3.3427 3.5071 -0.0883 -4.6465 0.3750 0.1194 -0.1734 0.0843 0.0195 0.0324 0.5767 0.3770 0.2884 0.1371 -0.5734 -0.4522 -0.2851 -0.2438 0.0000 140.1655 chimera-47-31.pdb.gz 154 0.5201 1.6445 1.6181 2.9250 3.0134 3.3462 3.5103 -0.0799 -4.6377 0.3684 0.1205 -0.1734 0.0808 0.0195 0.0316 0.5776 0.3789 0.2910 0.1370 -0.5733 -0.4522 -0.2844 -0.2442 0.0000 140.4498 T0370.try31-opt1.pdb.gz 154 0.5173 1.6394 1.6279 2.9494 3.0303 3.3379 3.5131 0.0642 -4.5778 0.3681 0.1219 -0.1347 0.0588 0.0065 0.0285 0.5708 0.3906 0.2878 0.1357 -0.6148 -0.4773 -0.2794 -0.2445 0.0000 140.6186 chimera-43-31.pdb.gz 154 0.5076 1.6324 1.6023 2.9294 3.0295 3.3594 3.5508 0.1971 -4.6043 0.3514 0.1213 -0.1344 0.0665 0.0390 0.0332 0.5314 0.3402 0.2209 0.1369 -0.6145 -0.4902 -0.2809 -0.2445 0.0000 140.7031 T0370.try30-opt2.pdb.gz 154 0.5102 1.6290 1.6040 2.9387 3.0771 3.3693 3.5500 0.1874 -4.6565 0.3694 0.1202 -0.1414 0.0547 0.0065 0.0308 0.5216 0.3308 0.2135 0.1243 -0.6167 -0.4931 -0.2799 -0.2446 0.0000 140.7858 T0370.try30-opt1.pdb.gz 154 0.5110 1.6373 1.6014 2.9608 3.0548 3.3805 3.5542 0.2159 -4.8582 0.4314 0.1229 -0.1134 0.0748 0.0065 0.0384 0.5017 0.3060 0.1958 0.1284 -0.6223 -0.4896 -0.2788 -0.2432 0.0000 141.9356 T0370.try27-opt2.pdb.gz 154 0.5133 1.6431 1.6025 2.9432 3.0323 3.3690 3.5496 0.1981 -4.9358 0.4244 0.1294 -0.1164 0.1067 0.0065 0.0436 0.5037 0.3087 0.2011 0.1284 -0.6190 -0.4910 -0.2795 -0.2440 0.0000 141.9678 T0370.try51-opt2.repack-nonPC.pdb.gz 154 0.5355 1.6367 1.6097 3.0448 3.0729 3.3996 3.5241 -0.0414 -4.8604 0.3776 0.1196 -0.1734 0.0802 0.0195 0.0317 0.5760 0.3748 0.2847 0.1323 -0.5769 -0.4519 -0.2845 -0.2434 0.0000 143.3874 T0370.try31-opt2.repack-nonPC.pdb.gz 154 0.5381 1.6310 1.6231 3.0414 3.0687 3.3836 3.5288 0.1167 -4.6250 0.3557 0.1212 -0.1531 0.0680 0.0130 0.0274 0.5710 0.3907 0.2879 0.1314 -0.6231 -0.4812 -0.2809 -0.2445 0.0000 143.4003 T0370.try50-opt2.repack-nonPC.pdb.gz 154 0.5173 1.6297 1.6033 3.0309 3.0893 3.4220 3.5671 0.2677 -4.8273 0.3513 0.1211 -0.1443 0.0747 0.0130 0.0327 0.4753 0.3125 0.1965 0.1404 -0.6213 -0.4904 -0.2795 -0.2436 0.0000 143.7096 T0370.try30-opt2.repack-nonPC.pdb.gz 154 0.5235 1.6290 1.6040 3.0359 3.1181 3.4241 3.5726 0.2557 -4.7052 0.3694 0.1202 -0.1414 0.0710 0.0065 0.0308 0.5216 0.3308 0.2135 0.1181 -0.6336 -0.4931 -0.2799 -0.2446 0.0000 144.3440 T0370.try27-opt2.repack-nonPC.pdb.gz 154 0.5154 1.6431 1.6025 3.0436 3.1047 3.4399 3.5693 0.3000 -4.8734 0.4244 0.1294 -0.1164 0.0959 0.0065 0.0436 0.5037 0.3087 0.2011 0.1205 -0.5968 -0.4910 -0.2795 -0.2440 0.0000 146.2216 T0370.try27-opt1.pdb.gz 154 0.5239 1.6627 1.6075 2.9571 3.0554 3.3922 3.5630 0.2322 -4.9587 0.4273 0.1261 -0.1053 0.1144 0.0130 0.0451 0.5027 0.3106 0.2018 0.2026 -0.6189 -0.4852 -0.2773 -0.2358 0.0000 146.5446 T0370.try63-opt2.pdb.gz 154 0.5329 1.6469 1.6535 2.9201 3.0301 3.3402 3.5202 0.1160 -4.6810 0.6424 0.2151 -0.1510 0.1419 0.0779 0.0596 0.2771 0.1996 0.1405 -0.3262 -0.4871 -0.3735 -0.1998 -0.1782 0.0000 147.5983 T0370.try43-opt2.pdb.gz 154 0.5142 1.6402 1.6030 2.9388 3.0433 3.3710 3.5641 0.2227 -5.0144 0.3581 0.1201 -0.1175 0.1045 0.0065 0.0338 0.4875 0.3044 0.2052 0.3718 -0.5883 -0.4742 -0.2673 -0.2344 0.0000 148.4011 T0370.try25-opt2.pdb.gz 154 0.5230 1.6495 1.6032 2.9673 3.0722 3.4053 3.5682 0.2486 -4.9126 0.4327 0.1117 -0.1071 0.1260 0.0130 0.0350 0.5083 0.3136 0.2059 0.2292 -0.6039 -0.4726 -0.2664 -0.2307 0.0000 148.7906 T0370.try43-opt1.pdb.gz 154 0.5128 1.6400 1.6107 2.9431 3.0560 3.3723 3.5644 0.2156 -5.0474 0.3813 0.1178 -0.1076 0.1187 0.0065 0.0364 0.4969 0.3128 0.2033 0.4340 -0.5760 -0.4727 -0.2668 -0.2339 0.0000 151.1406 T0370.try63-opt1.pdb.gz 154 0.5297 1.6493 1.6345 2.9271 3.0404 3.3478 3.5257 0.1343 -4.4060 0.6428 0.2111 -0.1766 0.1583 0.0714 0.0467 0.4580 0.3621 0.3162 -0.2820 -0.4986 -0.3693 -0.1959 -0.1758 0.0000 151.1838 T0370.try50-opt2.gromacs0.pdb.gz 154 0.5078 1.6565 1.6116 2.9874 3.0681 3.3692 3.5496 0.1953 -3.5956 0.2446 0.2304 -0.1077 0.0075 0.0065 0.0303 1.0202 0.8604 0.7393 0.1517 -0.6046 -0.4764 -0.2753 -0.2322 0.0000 151.2287 T0370.try51-opt2.gromacs0.pdb.gz 154 0.5230 1.6838 1.6350 2.9546 3.0459 3.3527 3.5105 -0.0898 -3.5211 0.2378 0.2393 -0.1233 0.0125 0.0000 0.0340 1.0423 0.8932 0.7965 0.1424 -0.5428 -0.4305 -0.2786 -0.2308 0.0000 151.2678 T0370.try34-opt2.pdb.gz 154 0.5102 1.6334 1.5968 2.9505 3.0550 3.3724 3.5635 0.2156 -5.0950 0.4317 0.1167 -0.1045 0.1300 0.0065 0.0366 0.4969 0.3128 0.2033 0.4366 -0.5837 -0.4724 -0.2668 -0.2338 0.0000 151.6103 T0370.try31-opt2.gromacs0.pdb.gz 154 0.5140 1.6642 1.6329 2.9952 3.0417 3.3463 3.5150 0.0493 -3.5152 0.2395 0.2413 -0.1098 0.0106 0.0000 0.0432 1.0237 0.8840 0.7820 0.1515 -0.6089 -0.4604 -0.2767 -0.2317 0.0000 152.0737 T0370.try25-opt2.repack-nonPC.pdb.gz 154 0.5190 1.6495 1.6032 3.0455 3.1111 3.4606 3.5908 0.3303 -4.8107 0.4327 0.1117 -0.1071 0.1214 0.0130 0.0350 0.5083 0.3136 0.2059 0.2295 -0.6033 -0.4726 -0.2664 -0.2307 0.0000 152.1710 T0370.try43-opt2.repack-nonPC.pdb.gz 154 0.5250 1.6402 1.6030 3.0172 3.1114 3.4315 3.5774 0.3088 -4.9286 0.3581 0.1201 -0.1175 0.0977 0.0065 0.0338 0.4875 0.3044 0.2052 0.3660 -0.5865 -0.4742 -0.2673 -0.2344 0.0000 152.3370 T0370.try62-opt2.pdb.gz 154 0.5295 1.6442 1.6304 2.9311 3.0260 3.3497 3.5296 0.1615 -4.5266 0.6370 0.2109 -0.1811 0.1443 0.0649 0.0445 0.4068 0.2882 0.2482 -0.2019 -0.4864 -0.3603 -0.1884 -0.1696 0.0000 152.4866 T0370.try30-opt2.gromacs0.pdb.gz 154 0.5107 1.6430 1.6312 3.0064 3.0954 3.3871 3.5504 0.1856 -3.5753 0.2296 0.2358 -0.1212 0.0090 0.0000 0.0405 1.0115 0.8554 0.7364 0.1187 -0.6053 -0.4729 -0.2735 -0.2309 0.0000 152.6146 T0370.try27-opt2.gromacs0.pdb.gz 154 0.5124 1.6591 1.6249 2.9964 3.0703 3.3874 3.5522 0.1946 -3.6422 0.2640 0.2404 -0.1005 0.0230 0.0000 0.0461 1.0334 0.8769 0.7579 0.1274 -0.6006 -0.4732 -0.2729 -0.2314 0.0000 153.3394 T0370.try63-opt2.repack-nonPC.pdb.gz 154 0.5544 1.6469 1.6535 3.0165 3.0988 3.3988 3.5301 0.1486 -4.6124 0.6424 0.2151 -0.1510 0.1277 0.0779 0.0596 0.2771 0.1996 0.1405 -0.2634 -0.4499 -0.3735 -0.1998 -0.1782 0.0000 153.4055 T0370.try50-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5208 1.6565 1.6116 3.0447 3.1119 3.4178 3.5646 0.2540 -3.6834 0.2446 0.2304 -0.1077 0.0118 0.0065 0.0303 1.0202 0.8604 0.7393 0.1396 -0.6001 -0.4764 -0.2753 -0.2322 0.0000 153.4911 T0370.try34-opt1.pdb.gz 154 0.5153 1.6366 1.6046 2.9676 3.0620 3.3919 3.5666 0.2358 -4.9819 0.4480 0.1157 -0.1045 0.1221 0.0065 0.0370 0.4964 0.3123 0.2024 0.4541 -0.5939 -0.4701 -0.2650 -0.2319 0.0000 153.6361 T0370.try51-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5444 1.6838 1.6350 3.0510 3.0925 3.3745 3.5225 -0.0666 -3.6481 0.2378 0.2393 -0.1233 0.0187 0.0000 0.0340 1.0423 0.8932 0.7965 0.1342 -0.5432 -0.4305 -0.2786 -0.2308 0.0000 153.7466 T0370.try51-opt1-scwrl.pdb.gz 154 0.5418 1.6378 1.6149 3.1011 3.1244 3.4242 3.5541 -0.0150 -5.2744 0.3750 0.1194 -0.1734 0.4033 0.0195 0.0324 0.5767 0.3770 0.2884 0.1354 -0.5554 -0.4522 -0.2851 -0.2438 0.0000 153.7473 T0370.try50-opt1-scwrl.pdb.gz 154 0.5259 1.6329 1.6042 3.0736 3.1204 3.4519 3.5937 0.2908 -5.2663 0.3547 0.1196 -0.1395 0.4212 0.0130 0.0296 0.5319 0.3406 0.2214 0.1345 -0.5899 -0.4903 -0.2806 -0.2443 0.0000 153.8333 T0370.try30-opt1-scwrl.pdb.gz 154 0.5309 1.6373 1.6014 3.0927 3.1414 3.4570 3.5910 0.2663 -5.2632 0.4314 0.1229 -0.1134 0.3596 0.0065 0.0384 0.5017 0.3060 0.1958 0.1299 -0.5820 -0.4896 -0.2788 -0.2432 0.0000 154.1356 T0370.try31-opt1-scwrl.pdb.gz 154 0.5342 1.6394 1.6279 3.1267 3.1100 3.4190 3.5520 0.1428 -5.1703 0.3681 0.1219 -0.1347 0.4128 0.0065 0.0285 0.5708 0.3906 0.2878 0.1370 -0.5872 -0.4773 -0.2794 -0.2445 0.0000 154.5218 T0370.try30-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5189 1.6430 1.6312 3.0589 3.1315 3.4242 3.5646 0.2935 -3.6895 0.2296 0.2358 -0.1212 0.0173 0.0000 0.0405 1.0115 0.8554 0.7364 0.1204 -0.5856 -0.4729 -0.2735 -0.2309 0.0000 154.9096 T0370.try31-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5435 1.6642 1.6329 3.0710 3.0971 3.3893 3.5257 0.1075 -3.5215 0.2395 0.2413 -0.1098 0.0145 0.0000 0.0432 1.0237 0.8840 0.7820 0.1453 -0.5790 -0.4604 -0.2767 -0.2317 0.0000 155.6558 T0370.try34-opt2.repack-nonPC.pdb.gz 154 0.5229 1.6334 1.5968 3.0215 3.1138 3.4388 3.5832 0.2889 -4.8824 0.4317 0.1167 -0.1045 0.1096 0.0065 0.0366 0.4969 0.3128 0.2033 0.4358 -0.5848 -0.4724 -0.2668 -0.2338 0.0000 155.7053 T0370.try25-opt1.pdb.gz 154 0.5271 1.6622 1.6118 3.0056 3.1032 3.4533 3.6333 0.4014 -4.6090 0.4415 0.1065 -0.1069 0.1819 0.0130 0.0308 0.6035 0.3825 0.2718 0.2343 -0.5795 -0.4641 -0.2605 -0.2246 0.0000 156.0680 T0370.try27-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5235 1.6591 1.6249 3.0797 3.1266 3.4301 3.5699 0.2761 -3.6668 0.2640 0.2404 -0.1005 0.0260 0.0000 0.0461 1.0334 0.8769 0.7579 0.1209 -0.5714 -0.4732 -0.2729 -0.2314 0.0000 156.7206 T0370.try60-opt2.pdb.gz 154 0.5406 1.6477 1.6401 2.9283 3.0124 3.3346 3.5298 0.1777 -3.4962 0.5535 0.2151 -0.1993 0.1183 0.0909 0.0532 0.4337 0.3123 0.2694 -0.1977 -0.4908 -0.3592 -0.1857 -0.1706 0.0000 156.9763 T0370.try32-opt2.pdb.gz 154 0.5485 1.6939 1.6667 3.0558 3.1489 3.4926 3.6517 0.5645 -4.1522 0.3794 0.1240 -0.1350 0.1641 0.0455 0.0589 0.5895 0.4483 0.3150 0.1846 -0.5914 -0.4894 -0.2906 -0.2523 0.0000 157.5173 T0370.try62-opt1.pdb.gz 154 0.5352 1.6531 1.6491 2.9335 3.0359 3.3583 3.5345 0.1456 -4.2822 0.6470 0.2093 -0.1714 0.1563 0.0909 0.0510 0.4087 0.2893 0.2484 -0.1525 -0.4802 -0.3516 -0.1812 -0.1639 0.0000 157.6204 T0370.try61-opt2.pdb.gz 154 0.5344 1.6449 1.6500 2.9386 3.0366 3.3344 3.5094 0.0660 -4.6570 0.5842 0.2252 -0.1610 0.1548 0.0844 0.0636 0.3110 0.2295 0.1678 0.0128 -0.4869 -0.3659 -0.1900 -0.1731 0.0000 157.9824 T0370.try27-opt1-scwrl.pdb.gz 154 0.5332 1.6627 1.6075 3.0820 3.1334 3.4655 3.6007 0.2955 -5.2253 0.4273 0.1261 -0.1053 0.3645 0.0130 0.0451 0.5027 0.3106 0.2018 0.2047 -0.5682 -0.4852 -0.2773 -0.2358 0.0000 158.0026 T0370.try20-opt2.pdb.gz 154 0.4997 1.6555 1.6095 2.9921 3.1571 3.5579 3.7515 1.8175 -4.8722 0.4547 0.0931 -0.0823 0.1440 0.0195 0.0215 0.5426 0.3961 0.2895 0.2354 -0.5875 -0.4711 -0.2600 -0.2224 0.0000 158.4799 T0370.try25-opt2.gromacs0.pdb.gz 154 0.5272 1.6666 1.6173 3.0274 3.1036 3.4125 3.5728 0.2449 -3.6356 0.2951 0.2352 -0.0451 0.0319 0.0130 0.0308 1.0671 0.8948 0.7724 0.2210 -0.5848 -0.4568 -0.2627 -0.2244 0.0000 158.7356 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