# 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 + 5 * n_ca_c + 10 * bad_peptide + 5 * bystroff + 20 * soft_clashes + 2 * backbone_clashes + 50 * break + 2 * pred_alpha2k + 2 * pred_alpha04 + 2 * pred_alpha06 + 20 * 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 T0307.try16-opt2.pdb.gz 133 0.5915 1.5962 1.6417 2.8419 2.9267 3.5011 3.7734 1.8975 -6.5661 0.2547 0.1426 -0.1592 0.2834 0.0977 0.0918 -0.3917 -0.2597 -0.2597 -0.2781 -0.7507 -0.5827 -0.0422 -0.0139 0.0000 160.4659 T0307.try16-opt2.repack-nonPC.pdb.gz 133 0.6025 1.5962 1.6417 2.9341 3.0095 3.5269 3.7794 1.9244 -6.2529 0.2547 0.1426 -0.1592 0.1920 0.0977 0.0918 -0.3917 -0.2597 -0.2597 -0.2684 -0.7353 -0.5827 -0.0422 -0.0139 0.0000 164.1500 T0307.try20-opt2.pdb.gz 133 0.6227 1.6852 1.7187 2.8955 2.9739 3.6330 3.8349 0.4146 -6.1530 0.2762 0.1561 -0.1448 0.2288 0.0602 0.1032 -0.3163 -0.2681 -0.2681 -0.1415 -0.6918 -0.5315 -0.0059 0.0000 0.0000 171.4717 T0307.try16-opt1.pdb.gz 133 0.5929 1.5979 1.6518 2.9296 3.0454 3.6302 3.8568 2.2298 -5.9920 0.2688 0.1165 -0.1079 0.2874 0.1053 0.0453 -0.0748 0.0794 0.0794 -0.1550 -0.6620 -0.5338 -0.0425 -0.0139 0.0000 173.3231 T0307.try16-opt1-scwrl.pdb.gz 133 0.5997 1.5979 1.6518 2.9722 3.0623 3.6417 3.8681 2.2195 -6.2534 0.2688 0.1165 -0.1079 0.2988 0.1053 0.0453 -0.0748 0.0794 0.0794 -0.1502 -0.6653 -0.5338 -0.0425 -0.0139 0.0000 173.6112 T0307.try20-opt2.repack-nonPC.pdb.gz 133 0.6321 1.6852 1.7187 2.9602 3.0139 3.6493 3.8264 0.4359 -5.9989 0.2762 0.1561 -0.1448 0.2292 0.0602 0.1032 -0.3163 -0.2681 -0.2681 -0.1419 -0.6650 -0.5315 -0.0059 0.0000 0.0000 174.5331 T0307.try16-opt2.gromacs0.pdb.gz 133 0.5834 1.6134 1.6324 2.9065 2.9442 3.5087 3.7787 1.9072 -4.7443 0.5504 0.2320 -0.1117 0.0684 0.0602 0.0606 0.0686 0.3155 0.3155 -0.0424 -0.7554 -0.5686 -0.0248 -0.0111 0.0000 176.8519 T0307.try16-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.5982 1.6134 1.6324 2.9640 2.9888 3.5141 3.7763 1.9277 -4.6957 0.5504 0.2320 -0.1117 0.0505 0.0602 0.0606 0.0686 0.3155 0.3155 -0.0414 -0.7149 -0.5686 -0.0248 -0.0111 0.0000 179.0466 T0307.try20-opt1.pdb.gz 133 0.6413 1.7258 1.7322 2.9240 3.0474 3.6852 3.8689 0.5590 -6.1991 0.2428 0.1712 -0.1071 0.4133 0.0977 0.1120 -0.2732 -0.1802 -0.1802 -0.0806 -0.6678 -0.5199 -0.0009 0.0000 0.0000 181.4542 T0307.try20-opt1-scwrl.pdb.gz 133 0.6510 1.7258 1.7322 2.9645 3.0530 3.7029 3.8757 0.5724 -6.2554 0.2428 0.1712 -0.1071 0.4080 0.0977 0.1120 -0.2732 -0.1802 -0.1802 -0.0055 -0.6546 -0.5199 -0.0009 0.0000 0.0000 183.8267 T0307.try18-opt2.pdb.gz 133 0.6157 1.6608 1.7090 2.8697 2.9126 3.3218 3.5649 -0.6778 -6.4677 0.2078 0.2459 -0.1011 0.3832 0.1880 0.2483 -0.3166 -0.1603 -0.1603 0.6115 -0.5813 -0.4684 -0.0212 0.0000 0.0000 187.0912 T0307.try18-opt1.pdb 133 0.6129 1.6875 1.7193 2.9666 2.9688 3.4783 3.6758 0.3334 -5.9622 0.3316 0.1941 -0.0516 0.8043 0.4436 0.1920 -0.3834 -0.2171 -0.2171 -0.1581 -0.6529 -0.4966 -0.0040 -0.0033 0.0000 187.8767 T0307.try17-opt2.pdb.gz 133 0.5966 1.6680 1.7367 2.9706 3.0569 3.4175 3.6895 0.2537 -6.1176 0.2090 0.2848 -0.0620 0.6481 0.1353 0.3268 -0.2176 -0.1350 -0.1350 -0.3187 -0.5727 -0.4271 -0.0124 0.0000 0.0000 189.3559 T0307.try18-opt2.repack-nonPC.pdb.gz 133 0.6166 1.6608 1.7090 2.9176 2.9498 3.3373 3.5643 -0.6723 -5.8957 0.2078 0.2459 -0.1011 0.3313 0.1880 0.2483 -0.3166 -0.1603 -0.1603 0.6102 -0.5524 -0.4684 -0.0212 0.0000 0.0000 190.7456 T0307.try17-opt2.repack-nonPC.pdb.gz 133 0.5933 1.6680 1.7367 3.0520 3.1208 3.4545 3.6999 0.2645 -5.5000 0.2090 0.2848 -0.0620 0.4621 0.1353 0.3268 -0.2176 -0.1350 -0.1350 -0.3195 -0.5238 -0.4271 -0.0124 0.0000 0.0000 192.0294 T0307.try15-opt2.pdb.gz 133 0.5711 1.6245 1.6603 2.9393 2.9766 3.4873 3.7626 1.5530 -6.3531 0.2097 0.1870 -0.1492 0.3808 0.0827 0.1162 -0.2928 -0.1537 -0.1537 0.8586 -0.6394 -0.4889 -0.0097 -0.0058 0.0000 193.6612 T0307.try18-opt1-scwrl.pdb 133 0.6076 1.6875 1.7193 3.0544 3.0643 3.5053 3.6573 0.3468 -6.1527 0.3316 0.1941 -0.0516 0.9380 0.4436 0.1920 -0.3834 -0.2171 -0.2171 -0.0890 -0.6129 -0.4966 -0.0040 -0.0033 0.0000 194.6645 T0307.try15-opt2.repack-nonPC.pdb.gz 133 0.5942 1.6245 1.6603 3.0501 3.0028 3.5508 3.7756 1.5402 -6.0426 0.2097 0.1870 -0.1492 0.2288 0.0827 0.1162 -0.2928 -0.1537 -0.1537 0.8622 -0.6060 -0.4889 -0.0097 -0.0058 0.0000 195.9407 T0307.try20-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.6394 1.7180 1.7301 2.9651 3.0230 3.6563 3.8261 0.4346 -4.6700 0.3346 0.2491 -0.1029 0.0689 0.0376 0.0775 0.2631 0.3457 0.3457 0.5693 -0.7114 -0.5198 0.0000 0.0000 0.0000 196.7773 T0307.try20-opt2.gromacs0.pdb.gz 133 0.6217 1.7180 1.7301 2.9435 3.0043 3.6505 3.8372 0.4227 -4.2248 0.3346 0.2491 -0.1029 0.0549 0.0376 0.0775 0.2631 0.3457 0.3457 0.5820 -0.7049 -0.5198 0.0000 0.0000 0.0000 197.9890 T0307.try18-opt1.pdb.gz 133 0.6120 1.6436 1.7211 2.9427 2.9607 3.3838 3.6015 -0.5657 -6.2407 0.1937 0.2453 -0.0759 0.4942 0.2331 0.2533 -0.0638 0.1042 0.1042 0.7602 -0.5549 -0.4443 -0.0137 0.0000 0.0000 199.4365 T0307.try18-opt1-scwrl.pdb.gz 133 0.6186 1.6436 1.7211 2.9773 2.9657 3.3863 3.5934 -0.5773 -6.3881 0.1937 0.2453 -0.0759 0.5588 0.2331 0.2533 -0.0638 0.1042 0.1042 0.7629 -0.5463 -0.4443 -0.0137 0.0000 0.0000 200.7838 T0307.try15-opt1.pdb.gz 133 0.5906 1.6418 1.6883 3.0051 3.0475 3.5637 3.7932 1.7047 -6.1021 0.2338 0.1904 -0.1480 0.3354 0.0902 0.1259 -0.1632 -0.0007 -0.0007 0.9189 -0.5974 -0.4619 -0.0063 -0.0052 0.0000 201.9854 T0307.try15-opt1-scwrl.pdb.gz 133 0.6056 1.6418 1.6883 3.0675 3.0709 3.5715 3.7957 1.7178 -6.2338 0.2338 0.1904 -0.1480 0.3302 0.0902 0.1259 -0.1632 -0.0007 -0.0007 0.9230 -0.5549 -0.4619 -0.0063 -0.0052 0.0000 203.3044 T0307.try17-opt1-scwrl.pdb.gz 133 0.6075 1.7230 1.7368 3.0645 3.1381 3.5687 3.8039 0.8851 -6.0868 0.2112 0.2896 -0.0623 0.8358 0.2105 0.3525 -0.0979 0.0363 0.0363 -0.1789 -0.5417 -0.4111 -0.0108 0.0000 0.0000 206.4409 T0307.try17-opt1.pdb.gz 133 0.5856 1.7230 1.7368 3.0823 3.1454 3.5451 3.8054 0.9238 -5.9070 0.2112 0.2896 -0.0623 0.8182 0.2105 0.3525 -0.0979 0.0363 0.0363 -0.1775 -0.5250 -0.4111 -0.0108 0.0000 0.0000 206.9136 T0307.try15-opt2.gromacs0.pdb.gz 133 0.5718 1.6313 1.6764 3.0198 3.0023 3.5170 3.7680 1.5624 -4.4620 0.4690 0.2797 -0.1099 0.1041 0.0902 0.0976 0.3110 0.5045 0.5045 1.1616 -0.6158 -0.4614 -0.0063 -0.0040 0.0000 212.0669 T0307.try15-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.5957 1.6313 1.6764 3.0661 3.0401 3.5379 3.7661 1.5679 -4.6147 0.4690 0.2797 -0.1099 0.0816 0.0902 0.0976 0.3110 0.5045 0.5045 1.1560 -0.5844 -0.4614 -0.0063 -0.0040 0.0000 213.0255 T0307.try17-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.6000 1.7043 1.8109 3.0136 3.1351 3.4895 3.7027 0.3081 -3.2723 1.3814 0.3577 -0.0090 0.1283 0.1353 0.2069 0.4038 0.5542 0.5542 0.4461 -0.5102 -0.3886 -0.0113 0.0000 0.0000 218.1556 T0307.try5-opt2.pdb.gz 133 0.5942 1.7500 1.7739 2.9055 3.0231 3.6211 3.8677 1.9135 -6.3443 0.2450 0.1327 -0.1626 0.1783 0.0677 0.0733 -0.0821 -0.0186 -0.0186 2.2099 -0.6582 -0.5104 -0.0237 -0.0146 0.0000 218.3611 T0307.try17-opt2.gromacs0.pdb.gz 133 0.5984 1.7043 1.8109 3.0062 3.1148 3.4499 3.6893 0.2699 -2.8278 1.3814 0.3577 -0.0090 0.1247 0.1353 0.2069 0.4038 0.5542 0.5542 0.4432 -0.5515 -0.3886 -0.0113 0.0000 0.0000 218.7653 T0307.try5-opt2.repack-nonPC.pdb.gz 133 0.5877 1.7500 1.7739 2.9896 3.0601 3.6510 3.8808 1.9836 -5.9955 0.2450 0.1327 -0.1626 0.1245 0.0677 0.0733 -0.0821 -0.0186 -0.0186 2.2207 -0.6615 -0.5104 -0.0237 -0.0146 0.0000 221.7884 T0307.try5-opt1.pdb.gz 133 0.6006 1.7437 1.7824 2.9884 3.0557 3.6428 3.8726 1.9277 -6.1617 0.2558 0.1354 -0.1658 0.2999 0.0902 0.0743 0.0580 0.1225 0.1225 2.2040 -0.6324 -0.4853 -0.0246 -0.0144 0.0000 225.3265 T0307.try5-opt1-scwrl.pdb.gz 133 0.5994 1.7437 1.7824 3.0093 3.0683 3.6453 3.8679 1.9278 -6.2736 0.2558 0.1354 -0.1658 0.3470 0.0902 0.0743 0.0580 0.1225 0.1225 2.2262 -0.6036 -0.4853 -0.0246 -0.0144 0.0000 226.8584 T0307.try5-opt2.gromacs0.pdb.gz 133 0.5938 1.7553 1.7641 2.9282 3.0404 3.6220 3.8664 1.9133 -5.2406 0.1702 0.2202 -0.0971 0.0326 0.0301 0.0524 0.2828 0.3087 0.3087 2.5481 -0.6813 -0.4965 -0.0214 -0.0134 0.0000 230.4046 T0307.try11-opt2.pdb.gz 133 0.6034 1.6821 1.7028 2.9168 2.9696 3.3778 3.6178 -0.6804 -6.0166 0.2097 0.2172 -0.2024 0.3468 0.0752 0.2394 0.0544 0.0804 0.0804 3.2160 -0.5496 -0.4033 -0.0218 -0.0145 0.0000 243.1242 T0307.try14-opt2.pdb.gz 133 0.5912 1.7187 1.7300 2.9433 2.9995 3.5829 3.8221 1.0200 -6.6957 0.1743 0.1459 -0.1221 0.3337 0.1278 0.0738 -0.3604 -0.2296 -0.2296 3.5202 -0.6879 -0.5461 -0.0100 0.0000 0.0000 243.3667 T0307.try14-opt2.repack-nonPC.pdb.gz 133 0.5998 1.7187 1.7300 3.0025 3.0651 3.6186 3.8368 1.0199 -6.3102 0.1743 0.1459 -0.1221 0.2330 0.1278 0.0738 -0.3604 -0.2296 -0.2296 3.5304 -0.6664 -0.5461 -0.0100 0.0000 0.0000 246.5301 T0307.try11-opt2.repack-nonPC.pdb.gz 133 0.6052 1.6821 1.7028 3.0491 3.0147 3.3908 3.6201 -0.6868 -5.5203 0.2097 0.2172 -0.2024 0.2564 0.0752 0.2394 0.0544 0.0804 0.0804 3.2281 -0.5576 -0.4033 -0.0218 -0.0145 0.0000 247.1055 T0307.try14-opt2.gromacs0.pdb.gz 133 0.5980 1.7608 1.7504 2.9565 3.0260 3.6042 3.8234 1.0234 -5.1676 0.1948 0.2297 -0.0984 0.0730 0.0451 0.0380 0.1178 0.3178 0.3178 3.4412 -0.6955 -0.5389 -0.0123 0.0000 0.0000 247.8657 T0307.try14-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.5936 1.7608 1.7504 2.9985 3.0554 3.6470 3.8345 1.0612 -5.0975 0.1948 0.2297 -0.0984 0.0536 0.0451 0.0380 0.1178 0.3178 0.3178 3.4388 -0.6601 -0.5389 -0.0123 0.0000 0.0000 249.8816 T0307.try18-opt2.gromacs0.pdb.gz 133 0.6145 1.7000 1.7524 2.9474 2.9517 3.3302 3.5614 -0.6722 -3.7078 0.8898 0.3357 0.0162 0.1028 0.1579 0.1450 0.3561 0.5382 0.5382 3.1020 -0.5685 -0.4452 -0.0139 0.0000 0.0000 252.0228 T0307.try11-opt1-scwrl.pdb.gz 133 0.6180 1.6655 1.6981 3.0406 3.0623 3.4562 3.6578 -0.6549 -5.9118 0.2175 0.2427 -0.2032 0.4436 0.0752 0.2631 0.1314 0.2027 0.2027 3.2132 -0.4963 -0.3907 -0.0196 -0.0138 0.0000 253.4700 T0307.try18-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.6183 1.7000 1.7524 2.9345 2.9695 3.3642 3.5808 -0.6505 -3.7285 0.8898 0.3357 0.0162 0.0981 0.1579 0.1450 0.3561 0.5382 0.5382 3.1499 -0.5279 -0.4452 -0.0139 0.0000 0.0000 253.8567 T0307.try11-opt1.pdb.gz 133 0.6121 1.6655 1.6981 3.0350 3.0398 3.4440 3.6406 -0.6730 -5.9026 0.2175 0.2427 -0.2032 0.5213 0.0752 0.2631 0.1314 0.2027 0.2027 3.2135 -0.4906 -0.3907 -0.0196 -0.0138 0.0000 254.1768 T0307.try14-opt1.pdb.gz 133 0.5950 1.7461 1.7467 3.0077 3.0552 3.6240 3.8460 1.0868 -6.5614 0.1831 0.1626 -0.0895 0.4084 0.1053 0.0851 -0.2246 -0.0378 -0.0378 3.6837 -0.6433 -0.5083 -0.0078 0.0000 0.0000 254.6786 T0307.try14-opt1-scwrl.pdb.gz 133 0.6279 1.7461 1.7467 3.0195 3.1062 3.6541 3.8592 1.1250 -6.6145 0.1831 0.1626 -0.0895 0.3818 0.1053 0.0851 -0.2246 -0.0378 -0.0378 3.6740 -0.6260 -0.5083 -0.0078 0.0000 0.0000 256.0575 T0307.try10-opt2.pdb.gz 133 0.6011 1.6369 1.7148 3.0201 3.0430 3.5048 3.6919 -0.3984 -5.8135 0.3384 0.1801 -0.1586 0.2944 0.1128 0.1250 0.1428 0.1194 0.1194 4.5300 -0.5847 -0.4560 -0.0462 -0.0141 0.0000 268.3322 T0307.try10-opt2.repack-nonPC.pdb.gz 133 0.5787 1.6369 1.7148 3.1049 3.0639 3.5151 3.6911 -0.3967 -5.3154 0.3384 0.1801 -0.1586 0.2211 0.1128 0.1250 0.1428 0.1194 0.1194 4.5374 -0.5764 -0.4560 -0.0462 -0.0141 0.0000 271.0537 T0307.try10-opt2.gromacs0.pdb.gz 133 0.5997 1.6305 1.7307 3.0964 3.0659 3.5104 3.6910 -0.3985 -3.5594 0.8873 0.2881 -0.0752 0.0778 0.1053 0.1095 0.8671 0.8191 0.8191 4.1243 -0.5787 -0.4395 -0.0377 -0.0143 0.0000 277.1584 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0.1810 0.2119 -0.1288 0.6337 0.1805 0.1759 0.2716 0.2792 0.2792 4.6342 -0.5413 -0.4392 -0.0346 -0.0128 0.0000 284.5207 T0307.try12-opt2.pdb.gz 133 0.5761 1.6992 1.7449 2.8914 2.9573 3.5201 3.8339 1.5167 -6.6221 0.1612 0.1452 -0.1462 0.3080 0.1429 0.1197 -0.3697 -0.2218 -0.2218 6.5853 -0.6556 -0.5048 -0.0137 0.0000 0.0000 305.2984 T0307.try12-opt2.repack-nonPC.pdb.gz 133 0.5996 1.6992 1.7449 2.9788 3.0030 3.5658 3.8418 1.4783 -6.3478 0.1612 0.1452 -0.1462 0.2336 0.1429 0.1197 -0.3697 -0.2218 -0.2218 6.6021 -0.6203 -0.5048 -0.0137 0.0000 0.0000 308.9212 T0307.try12-opt1.pdb.gz 133 0.5938 1.7228 1.7652 2.9422 2.9951 3.5506 3.8631 1.5930 -6.1773 0.1849 0.1539 -0.1585 0.3294 0.1654 0.1226 -0.2522 -0.0793 -0.0793 6.4582 -0.6316 -0.4855 -0.0167 0.0000 0.0000 309.4683 T0307.try12-opt1-scwrl.pdb.gz 133 0.6140 1.7228 1.7652 2.9861 3.0528 3.5944 3.8691 1.6023 -6.3380 0.1849 0.1539 -0.1585 0.3556 0.1654 0.1226 -0.2522 -0.0793 -0.0793 6.4596 -0.6021 -0.4855 -0.0167 0.0000 0.0000 312.1871 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