# 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 + 2 * sidechain + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 60 * soft_clashes + 2 * backbone_clashes + 160 * 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 + 1 * missing_atoms + 0 * maybe_metal + 0 * 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 missing_atoms 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 10N T0370.try8-opt2.pdb.gz 154 0.5410 1.6684 1.6652 3.1301 3.2231 3.5924 3.7029 1.0921 -3.2116 0.4552 0.1013 0.0513 0.0721 0.0325 0.0233 0.9871 0.7199 0.6191 0.0742 -0.6108 -0.4696 -0.2798 -0.2066 0.0000 0.0000 0.0000 179.0132 T0370.try3-opt2.gromacs0.pdb.gz 154 0.5885 1.7131 1.6719 3.1140 3.1008 3.4239 3.5613 0.2322 -3.7174 0.2586 0.2769 -0.0717 0.0492 0.0065 0.0481 1.1346 1.0020 0.8916 0.8364 -0.6062 -0.4667 -0.2698 -0.2404 0.0000 0.0000 0.0000 180.2378 T0370.try3-opt2.repack-nonPC.pdb.gz 154 0.5777 1.6986 1.6662 3.1416 3.1251 3.4410 3.5688 0.2073 -4.1564 0.5370 0.1642 -0.0769 0.1364 0.0390 0.0390 0.7200 0.5009 0.4119 0.8341 -0.6274 -0.4790 -0.2732 -0.2437 0.0000 0.0000 0.0000 180.7652 T0370.try3-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5864 1.7131 1.6719 3.1348 3.1391 3.4437 3.5645 0.1998 -3.5958 0.2586 0.2769 -0.0717 0.0398 0.0065 0.0481 1.1346 1.0020 0.8916 0.8301 -0.6007 -0.4667 -0.2698 -0.2404 0.0000 0.0000 0.0000 181.1734 T0370.try5-opt2.pdb.gz 154 0.6091 1.7094 1.6960 3.1182 3.1449 3.4606 3.5976 -0.0808 -4.2789 0.4358 0.1366 -0.1071 0.1734 0.0065 0.0077 0.6873 0.7826 0.7758 0.6414 -0.6094 -0.4830 -0.2272 -0.2151 0.0000 0.0000 0.0000 181.8272 T0370.try3-opt2.pdb.gz 154 0.5884 1.6986 1.6662 3.0656 3.0836 3.4187 3.5587 0.2310 -4.8820 0.5370 0.1642 -0.0769 0.2128 0.0390 0.0390 0.7200 0.5009 0.4119 0.8377 -0.6104 -0.4790 -0.2732 -0.2437 0.0000 0.0000 0.0000 181.8734 T0370.try1-opt2.gromacs0.pdb.gz 154 0.5578 1.7187 1.6491 3.0830 3.2232 3.5356 3.6858 0.9589 -3.0527 0.5083 0.2752 -0.0843 0.0442 0.0455 0.0923 1.1420 0.9027 0.7662 -0.2128 -0.6265 -0.4724 -0.2860 -0.2502 0.0000 0.0000 0.0000 181.8922 T0370.try8-opt2.repack-nonPC.pdb.gz 154 0.5689 1.6684 1.6652 3.2200 3.2808 3.6269 3.6985 1.0672 -3.6668 0.4552 0.1013 0.0513 0.0780 0.0325 0.0233 0.9871 0.7199 0.6191 0.0884 -0.5970 -0.4696 -0.2798 -0.2066 0.0000 0.0000 0.0000 182.0316 T0370.try1-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5677 1.7187 1.6491 3.0997 3.2344 3.5478 3.6872 1.0051 -3.0311 0.5083 0.2752 -0.0843 0.0416 0.0455 0.0923 1.1420 0.9027 0.7662 -0.2193 -0.6522 -0.4724 -0.2860 -0.2502 0.0000 0.0000 0.0000 182.4962 T0370.try6-opt2.pdb.gz 154 0.5778 1.6894 1.7103 3.0961 3.0785 3.3993 3.5542 0.3417 -3.7825 0.6027 0.1691 -0.0738 0.1459 0.0130 0.0385 0.8787 0.7022 0.6104 0.8258 -0.6231 -0.4653 -0.2598 -0.2373 0.0000 0.0000 0.0000 182.9904 T0370.try5-opt2.gromacs0.pdb.gz 154 0.6070 1.7162 1.7031 3.1442 3.1509 3.4697 3.6051 -0.0795 -3.4956 0.2974 0.2600 -0.0949 0.0455 0.0130 0.0329 0.8244 0.9017 0.9191 0.6440 -0.5955 -0.4575 -0.2195 -0.2093 0.0000 0.0000 0.0000 183.2159 T0370.try2-opt2.gromacs0.pdb.gz 154 0.5905 1.6933 1.6704 3.0885 3.1164 3.4356 3.5674 0.3195 -3.2768 0.3198 0.2879 0.0010 0.0694 0.0195 0.0635 1.0894 0.9404 0.8265 0.8095 -0.6272 -0.4843 -0.2759 -0.2515 0.0000 0.0000 0.0000 183.5287 T0370.try5-opt2.repack-nonPC.pdb.gz 154 0.5885 1.7094 1.6960 3.1608 3.2226 3.4981 3.6019 -0.0529 -4.1423 0.4358 0.1366 -0.1071 0.1634 0.0065 0.0077 0.6873 0.7826 0.7758 0.6369 -0.6463 -0.4830 -0.2272 -0.2151 0.0000 0.0000 0.0000 183.7968 T0370.try2-opt2.repack-nonPC.pdb.gz 154 0.5882 1.6683 1.6768 3.1134 3.1395 3.4419 3.5693 0.3935 -3.9983 0.4878 0.1924 -0.0786 0.1551 0.0325 0.0669 0.6347 0.4089 0.3398 0.7944 -0.6348 -0.5026 -0.2838 -0.2571 0.0000 0.0000 0.0000 183.9659 T0370.try2-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5908 1.6933 1.6704 3.0922 3.1420 3.4521 3.5689 0.3382 -3.3905 0.3198 0.2879 0.0010 0.0669 0.0195 0.0635 1.0894 0.9404 0.8265 0.8055 -0.5998 -0.4843 -0.2759 -0.2515 0.0000 0.0000 0.0000 184.1141 T0370.try1-opt2.pdb.gz 154 0.5588 1.6352 1.6326 3.0855 3.1845 3.5230 3.6816 0.9584 -5.2292 0.3561 0.1764 -0.0894 0.1701 0.0390 0.1309 0.3806 0.2329 0.1404 -0.2333 -0.6095 -0.4698 -0.2858 -0.2447 0.0000 0.0000 0.0000 184.4060 T0370.try2-opt2.pdb.gz 154 0.5885 1.6683 1.6768 3.0534 3.1095 3.4228 3.5668 0.3164 -4.2984 0.4878 0.1924 -0.0786 0.2038 0.0325 0.0669 0.6347 0.4089 0.3398 0.8006 -0.6234 -0.5026 -0.2838 -0.2571 0.0000 0.0000 0.0000 184.4607 T0370.try6-opt2.repack-nonPC.pdb.gz 154 0.5798 1.6894 1.7103 3.1420 3.1361 3.4107 3.5526 0.3289 -3.4041 0.6027 0.1691 -0.0738 0.1319 0.0130 0.0385 0.8787 0.7022 0.6104 0.8242 -0.6097 -0.4653 -0.2598 -0.2373 0.0000 0.0000 0.0000 184.9652 T0370.try1-opt2.repack-nonPC.pdb.gz 154 0.5726 1.6352 1.6326 3.1460 3.2244 3.5388 3.6930 0.9880 -4.8587 0.3561 0.1764 -0.0894 0.1378 0.0390 0.1309 0.3806 0.2329 0.1404 -0.2281 -0.6214 -0.4698 -0.2858 -0.2447 0.0000 0.0000 0.0000 185.4691 T0370.try5-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.6016 1.7162 1.7031 3.1584 3.1920 3.4952 3.6043 -0.0520 -3.5531 0.2974 0.2600 -0.0949 0.0655 0.0130 0.0329 0.8244 0.9017 0.9191 0.6441 -0.6008 -0.4575 -0.2195 -0.2093 0.0000 0.0000 0.0000 185.6617 T0370.try8-opt1.pdb.gz 154 0.5561 1.6777 1.6754 3.1789 3.2630 3.6206 3.7209 1.1334 -3.0741 0.5036 0.0984 0.1242 0.1093 0.0325 0.0263 0.9870 0.7229 0.6238 0.0875 -0.5791 -0.4602 -0.2721 -0.1995 0.0000 0.0000 0.0000 186.5294 T0370.try6-opt2.gromacs0.pdb.gz 154 0.5767 1.6864 1.6984 3.1363 3.0879 3.4075 3.5569 0.3427 -2.9922 0.3159 0.2845 -0.0273 0.0402 0.0130 0.0684 1.1482 1.0073 0.8933 0.8331 -0.6195 -0.4501 -0.2524 -0.2320 0.0000 0.0000 0.0000 186.6561 T0370.try6-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5769 1.6864 1.6984 3.1735 3.1204 3.4271 3.5615 0.3144 -3.1593 0.3159 0.2845 -0.0273 0.0572 0.0130 0.0684 1.1482 1.0073 0.8933 0.8298 -0.5934 -0.4501 -0.2524 -0.2320 0.0000 0.0000 0.0000 188.9133 T0370.try8-opt2.gromacs0.pdb.gz 154 0.5457 1.6869 1.6635 3.1752 3.2295 3.5968 3.7027 1.0873 -2.7398 0.4209 0.2608 0.1986 0.0086 0.0000 0.0681 1.3542 1.1225 1.0100 0.0902 -0.6037 -0.4619 -0.2782 -0.2041 0.0000 0.0000 0.0000 189.3576 T0370.try4-opt2.repack-nonPC.pdb.gz 154 0.5791 1.6859 1.6836 3.1546 3.1645 3.4704 3.5987 0.2594 -4.0601 0.5259 0.1754 -0.0621 0.1206 0.0325 0.0712 0.6474 0.5012 0.4125 0.8495 -0.6290 -0.4702 -0.2587 -0.2168 0.0000 0.0000 0.0000 190.5179 T0370.try5-opt1.pdb.gz 154 0.6106 1.6789 1.6695 3.1634 3.1872 3.5062 3.6325 -0.0176 -4.2442 0.4333 0.1507 -0.0962 0.2491 0.0195 0.0194 0.6529 0.7405 0.7379 0.6592 -0.6372 -0.4767 -0.2227 -0.2114 0.0000 0.0000 0.0000 191.2458 T0370.try4-opt2.pdb.gz 154 0.5751 1.6859 1.6836 3.1075 3.1102 3.4510 3.5883 0.3034 -4.3408 0.5259 0.1754 -0.0621 0.1766 0.0325 0.0712 0.6474 0.5012 0.4125 0.8556 -0.6221 -0.4702 -0.2587 -0.2168 0.0000 0.0000 0.0000 191.3047 T0370.try8-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5703 1.6869 1.6635 3.2457 3.2770 3.6193 3.7022 1.0750 -2.9488 0.4209 0.2608 0.1986 0.0074 0.0000 0.0681 1.3542 1.1225 1.0100 0.0829 -0.5843 -0.4619 -0.2782 -0.2041 0.0000 0.0000 0.0000 191.5789 T0370.try1-opt1.pdb.gz 154 0.5702 1.6677 1.6454 3.1455 3.2548 3.5530 3.6912 0.9652 -5.0350 0.3979 0.1564 -0.1210 0.2162 0.0325 0.1201 0.6313 0.3901 0.3044 -0.2076 -0.5963 -0.4665 -0.2792 -0.2358 0.0000 0.0000 0.0000 191.6056 T0370.try4-opt2.gromacs0.pdb.gz 154 0.5783 1.6911 1.6760 3.1370 3.1224 3.4528 3.5814 0.3055 -2.8653 0.3416 0.2917 0.0386 0.0507 0.0260 0.0784 1.1681 1.0516 0.9535 0.8381 -0.6075 -0.4414 -0.2469 -0.2128 0.0000 0.0000 0.0000 193.6980 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-0.5559 -0.4352 -0.2369 -0.2076 0.0000 0.0000 0.0000 211.8887 T0370.try5-opt1-scwrl.pdb.gz 154 0.6223 1.6789 1.6695 3.2945 3.2223 3.5444 3.6462 0.0337 -5.0851 0.4333 0.1507 -0.0962 0.6063 0.0195 0.0194 0.6529 0.7405 0.7379 0.6470 -0.6406 -0.4767 -0.2227 -0.2114 0.0000 0.0000 0.0000 214.4442 T0370.try4-opt1-scwrl.pdb.gz 154 0.5824 1.6876 1.6923 3.1976 3.1533 3.4652 3.6025 0.3088 -4.8203 0.5160 0.1792 -0.0321 0.4868 0.0390 0.0705 0.7123 0.5188 0.4314 0.8519 -0.5619 -0.4396 -0.2404 -0.2032 0.0000 0.0000 0.0000 214.7119 T0370.try2-opt1-scwrl.pdb.gz 154 0.5966 1.6932 1.6757 3.2227 3.1983 3.4802 3.5921 0.3702 -4.7775 0.4943 0.1911 -0.0131 0.6272 0.0130 0.0552 0.8203 0.6639 0.5844 0.8276 -0.5939 -0.4813 -0.2641 -0.2406 0.0000 0.0000 0.0000 217.6184 T0370.try7-opt2.pdb.gz 154 0.5518 1.7032 1.6927 3.1192 3.3252 3.7683 3.8951 1.9152 -4.7879 0.4453 0.0879 0.0686 0.0698 0.0390 0.0139 0.8557 0.7555 0.7353 48.6975 -0.5484 -0.4425 -0.1572 -0.0998 0.0000 0.0000 0.0000 685.4007 T0370.try7-opt2.repack-nonPC.pdb.gz 154 0.5514 1.7032 1.6927 3.1752 3.3688 3.8049 3.9008 1.9582 -4.8779 0.4453 0.0879 0.0686 0.0693 0.0390 0.0139 0.8557 0.7555 0.7353 48.7579 -0.5583 -0.4425 -0.1572 -0.0998 0.0000 0.0000 0.0000 688.1136 T0370.try7-opt2.gromacs0.pdb.gz 154 0.5628 1.7311 1.6849 3.1676 3.3426 3.7837 3.9042 1.9137 -3.8337 0.2192 0.2326 0.1531 0.0227 0.0195 0.0346 1.2945 1.2004 1.1654 48.7101 -0.5436 -0.4291 -0.1530 -0.0997 0.0000 0.0000 0.0000 693.2362 T0370.try7-opt1.pdb.gz 154 0.5507 1.6946 1.6988 3.1879 3.3759 3.8024 3.9288 2.1812 -4.4353 0.4227 0.0824 0.1108 0.0987 0.0455 0.0109 0.9255 0.8552 0.8263 48.9997 -0.5313 -0.4308 -0.1512 -0.0973 0.0000 0.0000 0.0000 694.9362 T0370.try7-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5502 1.7311 1.6849 3.2215 3.3985 3.8148 3.9222 1.9612 -3.8971 0.2192 0.2326 0.1531 0.0201 0.0195 0.0346 1.2945 1.2004 1.1654 48.7242 -0.5492 -0.4291 -0.1530 -0.0997 0.0000 0.0000 0.0000 695.4568 T0370.try7-opt1-scwrl.pdb.gz 154 0.5694 1.6946 1.6988 3.1864 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