# 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) + 1 * phobic_fit + 4 * sidechain + 8 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 60 * soft_clashes + 2 * backbone_clashes + 150 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 8 * 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.try14-opt2.pdb.gz 154 0.5747 1.6908 1.6634 3.1330 3.2126 3.5369 3.6838 0.6676 -5.0104 0.3222 0.1215 -0.1082 0.0741 0.0519 0.0567 0.6667 0.4476 0.3758 -0.3993 -0.5815 -0.4603 -0.2748 -0.2352 0.0000 0.0000 0.0000 160.0691 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 -0.2693 -0.6062 -0.4667 -0.2698 -0.2404 0.0000 0.0000 0.0000 162.3474 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 -0.2731 -0.6104 -0.4790 -0.2732 -0.2437 0.0000 0.0000 0.0000 162.5378 T0370.try10-opt2.pdb.gz 154 0.5743 1.6951 1.6850 3.1415 3.2735 3.6308 3.7232 0.4181 -4.6416 0.4108 0.1245 -0.1033 0.0617 0.0455 0.0426 0.6926 0.4991 0.4294 -0.4105 -0.5992 -0.4606 -0.2682 -0.2339 0.0000 0.0000 0.0000 162.7867 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 -0.2710 -0.6274 -0.4790 -0.2732 -0.2437 0.0000 0.0000 0.0000 162.9570 T0370.try14-opt2.repack-nonPC.pdb.gz 154 0.5804 1.6908 1.6634 3.1735 3.2692 3.5563 3.6905 0.6637 -4.9910 0.3222 0.1215 -0.1082 0.0881 0.0519 0.0567 0.6667 0.4476 0.3758 -0.4002 -0.6010 -0.4603 -0.2748 -0.2352 0.0000 0.0000 0.0000 163.0225 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 -0.2688 -0.6007 -0.4667 -0.2698 -0.2404 0.0000 0.0000 0.0000 163.6257 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 -0.3276 -0.6094 -0.4830 -0.2272 -0.2151 0.0000 0.0000 0.0000 165.5453 T0370.try11-opt2.pdb.gz 154 0.5610 1.7358 1.6991 3.1765 3.2077 3.5529 3.6982 0.6533 -4.0761 0.3459 0.1544 -0.1242 0.1517 0.0325 0.0399 0.5534 0.5910 0.5631 -0.3840 -0.6486 -0.5125 -0.2734 -0.2511 0.0000 0.0000 0.0000 165.5630 T0370.try9-opt2.pdb.gz 154 0.5543 1.6735 1.6275 3.0203 3.0969 3.4162 3.5884 0.4238 -4.0578 0.2960 0.1767 -0.0301 0.1925 0.0195 0.0553 0.7283 0.5722 0.4928 -0.2686 -0.6380 -0.4767 -0.2619 -0.2394 0.0000 0.0000 0.0000 165.7453 T0370.try10-opt2.repack-nonPC.pdb.gz 154 0.5941 1.6951 1.6850 3.1828 3.3479 3.6571 3.7358 0.5216 -4.7076 0.4108 0.1245 -0.1033 0.0655 0.0455 0.0426 0.6926 0.4991 0.4294 -0.4098 -0.5905 -0.4606 -0.2682 -0.2339 0.0000 0.0000 0.0000 165.7624 T0370.try14-opt2.gromacs0.pdb.gz 154 0.5766 1.7228 1.6617 3.1742 3.2369 3.5396 3.6859 0.6682 -3.6327 0.3678 0.2316 -0.0529 0.0113 0.0065 0.0425 1.3834 1.1363 1.0277 -0.3994 -0.5829 -0.4614 -0.2760 -0.2412 0.0000 0.0000 0.0000 166.0824 T0370.try11-opt2.gromacs0.pdb.gz 154 0.5662 1.7492 1.6977 3.2083 3.2154 3.5532 3.6954 0.6532 -3.1731 0.3242 0.2500 -0.0608 0.0421 0.0195 0.0354 0.8614 0.8323 0.7915 -0.3843 -0.6462 -0.4949 -0.2687 -0.2473 0.0000 0.0000 0.0000 166.1048 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 -0.2641 -0.6231 -0.4653 -0.2598 -0.2373 0.0000 0.0000 0.0000 166.1356 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 -0.2681 -0.6234 -0.5026 -0.2838 -0.2571 0.0000 0.0000 0.0000 166.1909 T0370.try11-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5718 1.7492 1.6977 3.2231 3.2836 3.5649 3.6976 0.6217 -3.5941 0.3242 0.2500 -0.0608 0.0398 0.0195 0.0354 0.8614 0.8323 0.7915 -0.3840 -0.6145 -0.4949 -0.2687 -0.2473 0.0000 0.0000 0.0000 166.2660 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 -0.2664 -0.6348 -0.5026 -0.2838 -0.2571 0.0000 0.0000 0.0000 166.2944 T0370.try13-opt2.pdb.gz 154 0.5365 1.6679 1.6581 3.1146 3.2202 3.6207 3.7362 0.9625 -4.5776 0.3671 0.1159 -0.0524 0.1247 0.0195 0.0567 0.6085 0.4823 0.3738 -0.3667 -0.6257 -0.4844 -0.2708 -0.2330 0.0000 0.0000 0.0000 166.4959 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 -0.2657 -0.6272 -0.4843 -0.2759 -0.2515 0.0000 0.0000 0.0000 166.7593 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 -0.2654 -0.5998 -0.4843 -0.2759 -0.2515 0.0000 0.0000 0.0000 167.1409 T0370.try9-opt2.gromacs0.pdb.gz 154 0.5588 1.6877 1.6415 3.0535 3.1261 3.4265 3.5852 0.4243 -3.1039 0.2511 0.2818 0.0264 0.0502 0.0195 0.0624 1.0590 0.9219 0.8036 -0.2674 -0.6361 -0.4592 -0.2556 -0.2331 0.0000 0.0000 0.0000 167.6232 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 -0.3283 -0.6463 -0.4830 -0.2272 -0.2151 0.0000 0.0000 0.0000 167.7997 T0370.try11-opt2.repack-nonPC.pdb.gz 154 0.5899 1.7358 1.6991 3.2192 3.2643 3.5645 3.7019 0.6319 -4.0819 0.3459 0.1544 -0.1242 0.1510 0.0325 0.0399 0.5534 0.5910 0.5631 -0.3824 -0.6619 -0.5125 -0.2734 -0.2511 0.0000 0.0000 0.0000 167.8194 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 -0.3248 -0.5955 -0.4575 -0.2195 -0.2093 0.0000 0.0000 0.0000 167.8281 T0370.try14-opt2.gromacs0.repack-nonPC.pdb.gz 154 0.5773 1.7228 1.6617 3.1958 3.2800 3.5714 3.7024 0.7054 -3.7735 0.3678 0.2316 -0.0529 0.0226 0.0065 0.0425 1.3834 1.1363 1.0277 -0.3992 -0.5937 -0.4614 -0.2760 -0.2412 0.0000 0.0000 0.0000 167.9393 T0370.try9-opt2.repack-nonPC.pdb.gz 154 0.5749 1.6735 1.6275 3.1486 3.1965 3.4694 3.6006 0.4554 -4.0213 0.2960 0.1767 -0.0301 0.1469 0.0195 0.0553 0.7283 0.5722 0.4928 -0.2679 -0.5935 -0.4767 -0.2619 -0.2394 0.0000 0.0000 0.0000 168.4999 T0370.try13-opt2.repack-nonPC.pdb.gz 154 0.5665 1.6679 1.6581 3.1447 3.2668 3.6447 3.7429 1.0541 -4.6437 0.3671 0.1159 -0.0524 0.1274 0.0195 0.0567 0.6085 0.4823 0.3738 -0.3629 -0.6232 -0.4844 -0.2708 -0.2330 0.0000 0.0000 0.0000 168.7560 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 -0.3826 -0.6108 -0.4696 -0.2798 -0.2066 0.0000 0.0000 0.0000 168.8283 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 -0.2641 -0.6097 -0.4653 -0.2598 -0.2373 0.0000 0.0000 0.0000 168.8962 T0370.try12-opt2.repack-nonPC.pdb.gz 154 0.5713 1.6935 1.6690 3.1688 3.1678 3.5067 3.6304 0.6519 -4.1382 0.3092 0.1888 -0.0701 0.0587 0.0260 0.0743 0.8751 0.7150 0.6172 -0.2507 -0.6082 -0.4629 -0.2514 -0.2280 0.0000 0.0000 0.0000 169.2085 T0370.try12-opt2.pdb.gz 154 0.5785 1.6935 1.6690 3.1346 3.1415 3.5172 3.6332 0.6682 -4.0952 0.3092 0.1888 -0.0701 0.0687 0.0260 0.0743 0.8751 0.7150 0.6172 -0.2493 -0.5834 -0.4629 -0.2514 -0.2280 0.0000 0.0000 0.0000 169.3706 T0370.try10-opt2.gromacs0.pdb.gz 154 0.5734 1.7112 1.6857 3.1764 3.3037 3.6453 3.7283 0.4176 -3.6581 0.2883 0.2403 -0.0632 0.0084 0.0130 0.0467 1.1628 1.0434 0.9457 -0.4107 -0.5818 -0.4469 -0.2675 -0.2257 0.0000 0.0000 0.0000 170.0395 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 -0.3246 -0.6008 -0.4575 -0.2195 -0.2093 0.0000 0.0000 0.0000 170.1330 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 -0.2626 -0.6195 -0.4501 -0.2524 -0.2320 0.0000 0.0000 0.0000 170.1599 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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 -0.4205 -0.6095 -0.4698 -0.2858 -0.2447 0.0000 0.0000 0.0000 171.7176 T0370.try14-opt1.pdb.gz 154 0.5796 1.7000 1.6816 3.1854 3.3022 3.5591 3.6929 0.7429 -4.7039 0.3385 0.1233 -0.0838 0.1292 0.0325 0.0661 0.8437 0.5855 0.5193 -0.3992 -0.5712 -0.4537 -0.2652 -0.2256 0.0000 0.0000 0.0000 171.9422 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 -0.2630 -0.5934 -0.4501 -0.2524 -0.2320 0.0000 0.0000 0.0000 172.1416 T0370.try16-opt2.pdb.gz 154 0.5615 1.6725 1.6383 3.0749 3.1575 3.4798 3.6903 1.3677 -4.7502 0.2055 0.1742 -0.1045 0.0603 0.0390 0.0696 0.6711 0.6740 0.6916 -0.2967 -0.5821 -0.4466 -0.1992 -0.1633 0.0000 0.0000 0.0000 172.3020 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 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