# 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 + 10 * soft_clashes + 2 * backbone_clashes + 25 * 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.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 -0.6285 -0.6556 -0.5048 -0.0137 0.0000 0.0000 154.9517 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 -0.6088 -0.6203 -0.5048 -0.0137 0.0000 0.0000 159.3752 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 -0.4861 -0.6582 -0.5104 -0.0237 -0.0146 0.0000 160.8254 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 -0.5248 -0.6316 -0.4855 -0.0167 0.0000 0.0000 163.4496 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 -0.4697 -0.6615 -0.5104 -0.0237 -0.0146 0.0000 164.9007 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 -0.5174 -0.6021 -0.4855 -0.0167 0.0000 0.0000 166.0254 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 -0.4812 -0.6324 -0.4853 -0.0246 -0.0144 0.0000 166.7645 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 -0.4393 -0.6036 -0.4853 -0.0246 -0.0144 0.0000 168.2207 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 -0.3954 -0.6813 -0.4965 -0.0214 -0.0134 0.0000 169.8961 T0307.try12-opt2.gromacs0.pdb.gz 133 0.5845 1.7396 1.7338 2.9595 2.9881 3.5304 3.8365 1.5263 -4.7441 0.7161 0.2611 -0.1106 0.0568 0.0977 0.0922 0.0631 0.2636 0.2636 -0.5879 -0.6568 -0.4988 -0.0105 0.0000 0.0000 171.0922 T0307.try12-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.5955 1.7396 1.7338 2.9793 3.0265 3.5588 3.8317 1.4766 -4.9160 0.7161 0.2611 -0.1106 0.0640 0.0977 0.0922 0.0631 0.2636 0.2636 -0.5798 -0.6190 -0.4988 -0.0105 0.0000 0.0000 172.1873 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 0.6419 -0.5847 -0.4560 -0.0462 -0.0141 0.0000 184.4988 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 0.7621 -0.5496 -0.4033 -0.0218 -0.0145 0.0000 184.5942 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 0.6544 -0.5764 -0.4560 -0.0462 -0.0141 0.0000 188.0547 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 0.8000 -0.5576 -0.4033 -0.0218 -0.0145 0.0000 189.9948 T0307.try10-opt1.pdb.gz 133 0.6077 1.6586 1.7146 3.1074 3.0468 3.4992 3.6852 -0.4309 -5.5341 0.1810 0.2119 -0.1288 0.4941 0.1805 0.1759 0.2716 0.2792 0.2792 0.6857 -0.5449 -0.4392 -0.0346 -0.0128 0.0000 193.2338 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 0.8284 -0.4906 -0.3907 -0.0196 -0.0138 0.0000 194.6835 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 0.8253 -0.4963 -0.3907 -0.0196 -0.0138 0.0000 194.6971 T0307.try10-opt1-scwrl.pdb.gz 133 0.6160 1.6586 1.7146 3.2107 3.0630 3.4759 3.6751 -0.4462 -5.8139 0.1810 0.2119 -0.1288 0.6337 0.1805 0.1759 0.2716 0.2792 0.2792 0.6901 -0.5413 -0.4392 -0.0346 -0.0128 0.0000 194.9038 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 0.7110 -0.5787 -0.4395 -0.0377 -0.0143 0.0000 205.3756 T0307.try7-opt2.pdb.gz 133 0.5669 1.5552 1.5951 2.8577 2.9491 3.5196 3.8109 2.1193 -6.9374 0.1710 0.0868 -0.1780 0.0649 0.0226 0.0219 -0.2826 -0.1443 -0.1443 2.3675 -0.6962 -0.5416 -0.0089 0.0000 0.0000 206.4413 T0307.try10-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.5889 1.6305 1.7307 3.1803 3.0864 3.5220 3.6715 -0.4399 -3.4924 0.8873 0.2881 -0.0752 0.0743 0.1053 0.1095 0.8671 0.8191 0.8191 0.7109 -0.5538 -0.4395 -0.0377 -0.0143 0.0000 207.2992 T0307.try7-opt2.repack-nonPC.pdb.gz 133 0.5685 1.5552 1.5951 2.8995 2.9862 3.5439 3.8118 2.1512 -6.8236 0.1710 0.0868 -0.1780 0.0422 0.0226 0.0219 -0.2826 -0.1443 -0.1443 2.3623 -0.6693 -0.5416 -0.0089 0.0000 0.0000 208.6378 T0307.try11-opt2.gromacs0.pdb.gz 133 0.6065 1.7007 1.7014 2.9832 3.0085 3.3809 3.6212 -0.6766 -3.1265 1.3745 0.3289 -0.1065 0.1355 0.0451 0.1348 0.8858 0.8139 0.8139 0.8958 -0.5446 -0.3714 -0.0198 -0.0143 0.0000 211.3939 T0307.try7-opt2.gromacs0.pdb.gz 133 0.5681 1.5474 1.6199 2.8971 2.9667 3.5288 3.8099 2.1233 -6.1474 0.1271 0.1888 -0.1537 0.0131 0.0000 0.0000 -0.0865 0.0721 0.0721 2.3715 -0.6923 -0.5375 -0.0083 0.0000 0.0000 212.8189 T0307.try7-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.5707 1.5474 1.6199 2.9017 2.9984 3.5445 3.8134 2.1373 -6.3184 0.1271 0.1888 -0.1537 0.0276 0.0000 0.0000 -0.0865 0.0721 0.0721 2.3751 -0.6827 -0.5375 -0.0083 0.0000 0.0000 213.2520 T0307.try11-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.6141 1.7007 1.7014 3.0904 3.0182 3.4151 3.6319 -0.6848 -3.1866 1.3745 0.3289 -0.1065 0.0983 0.0451 0.1348 0.8858 0.8139 0.8139 0.9075 -0.5214 -0.3714 -0.0198 -0.0143 0.0000 213.5371 T0307.try7-opt1.pdb.gz 133 0.5733 1.5575 1.6182 2.8824 3.0040 3.5817 3.8465 2.2212 -6.6394 0.1824 0.0840 -0.1783 0.0883 0.0376 0.0208 -0.2318 -0.0723 -0.0723 2.7000 -0.6326 -0.5125 -0.0080 0.0000 0.0000 218.8952 T0307.try7-opt1-scwrl.pdb.gz 133 0.5627 1.5575 1.6182 2.9099 3.0227 3.5844 3.8449 2.2104 -6.7005 0.1824 0.0840 -0.1783 0.0935 0.0376 0.0208 -0.2318 -0.0723 -0.0723 2.6984 -0.6205 -0.5125 -0.0080 0.0000 0.0000 219.3077 T0307.try8-opt2.pdb.gz 133 0.5836 1.6269 1.6682 2.8375 2.9865 3.5179 3.7870 0.9929 -7.1130 0.1220 0.0773 -0.1380 0.0631 0.0150 0.0144 -0.4018 -0.2987 -0.2987 5.7537 -0.8458 -0.6490 -0.0018 0.0000 0.0000 269.6222 T0307.try8-opt2.repack-nonPC.pdb.gz 133 0.5887 1.6269 1.6682 2.9067 3.0132 3.5446 3.8006 1.0105 -7.0491 0.1220 0.0773 -0.1380 0.0212 0.0150 0.0144 -0.4018 -0.2987 -0.2987 5.7630 -0.8037 -0.6490 -0.0018 0.0000 0.0000 272.0716 T0307.try8-opt2.gromacs0.pdb.gz 133 0.5851 1.6468 1.6724 2.8585 2.9985 3.5276 3.7864 0.9920 -6.5659 0.0984 0.1773 -0.1342 0.0060 0.0075 0.0000 -0.1799 -0.0243 -0.0243 5.7794 -0.8553 -0.6515 -0.0019 0.0000 0.0000 275.1353 T0307.try8-opt1.pdb.gz 133 0.5906 1.6339 1.6771 2.8918 3.0225 3.5685 3.8144 1.1181 -6.9698 0.1210 0.0804 -0.1415 0.1002 0.0301 0.0156 -0.2667 -0.1285 -0.1285 5.7571 -0.7638 -0.6139 -0.0020 0.0000 0.0000 275.4186 T0307.try8-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.5858 1.6468 1.6724 2.9320 3.0309 3.5317 3.7993 1.0286 -6.7297 0.0984 0.1773 -0.1342 0.0040 0.0075 0.0000 -0.1799 -0.0243 -0.0243 5.7812 -0.7983 -0.6515 -0.0019 0.0000 0.0000 276.5758 T0307.try8-opt1-scwrl.pdb.gz 133 0.5967 1.6339 1.6771 2.9200 3.0379 3.5661 3.8182 1.1044 -6.9705 0.1210 0.0804 -0.1415 0.1671 0.0301 0.0156 -0.2667 -0.1285 -0.1285 5.7496 -0.7317 -0.6139 -0.0020 0.0000 0.0000 276.8714 T0307.try2-opt2.pdb.gz 133 0.5583 1.5548 1.6285 2.9482 3.0712 3.6073 3.8482 0.8417 -6.3137 0.1795 0.1263 -0.1097 0.1446 0.0526 0.0495 -0.2621 -0.0575 -0.0575 8.1194 -0.7339 -0.5674 -0.0258 -0.0110 0.0000 327.7090 T0307.try2-opt1.pdb.gz 133 0.5791 1.5674 1.6314 2.9935 3.0967 3.6316 3.8596 0.8960 -6.0828 0.1983 0.1273 -0.1075 0.1933 0.0376 0.0533 -0.0498 0.1150 0.1150 7.9130 -0.6671 -0.5287 -0.0222 -0.0102 0.0000 329.6050 T0307.try2-opt1-scwrl.pdb.gz 133 0.5828 1.5674 1.6314 3.0231 3.1308 3.6601 3.8764 0.8739 -6.2107 0.1983 0.1273 -0.1075 0.2282 0.0376 0.0533 -0.0498 0.1150 0.1150 7.9296 -0.6407 -0.5287 -0.0222 -0.0102 0.0000 331.4246 T0307.try2-opt2.repack-nonPC.pdb.gz 133 0.5576 1.5548 1.6285 3.0001 3.1134 3.6384 3.8622 0.8915 -5.9507 0.1795 0.1263 -0.1097 0.0924 0.0526 0.0495 -0.2621 -0.0575 -0.0575 8.1356 -0.6713 -0.5674 -0.0258 -0.0110 0.0000 331.8847 T0307.try2-opt2.gromacs0.pdb.gz 133 0.5672 1.5641 1.6327 2.9940 3.0781 3.6105 3.8443 0.8409 -5.4598 0.2568 0.2042 -0.1098 0.0291 0.0301 0.0270 0.1067 0.2422 0.2422 8.1454 -0.7151 -0.5503 -0.0223 -0.0090 0.0000 335.5242 T0307.try9-opt2.pdb.gz 133 0.6313 1.7913 1.8065 2.9362 3.0336 3.5682 3.8026 0.5800 -6.4482 0.2400 0.1303 -0.1056 0.1884 0.0827 0.0530 -0.1021 0.0299 0.0299 8.7503 -0.6767 -0.5006 -0.0383 -0.0136 0.0000 342.2359 T0307.try9-opt2.repack-nonPC.pdb.gz 133 0.6448 1.7913 1.8065 2.9773 3.0827 3.6011 3.7970 0.6304 -6.0898 0.2400 0.1303 -0.1056 0.1426 0.0827 0.0530 -0.1021 0.0299 0.0299 8.7391 -0.6714 -0.5006 -0.0383 -0.0136 0.0000 345.7396 T0307.try9-opt2.gromacs0.pdb.gz 133 0.6389 1.8414 1.8420 2.9982 3.0604 3.5893 3.8126 0.5860 -4.7801 0.1589 0.2122 -0.0618 0.0376 0.0451 0.0419 0.5394 0.6484 0.6484 8.7683 -0.6618 -0.4772 -0.0349 -0.0127 0.0000 356.4190 T0307.try9-opt2.gromacs0.repack-nonPC.pdb.gz 133 0.6411 1.8414 1.8420 3.0015 3.0765 3.5978 3.8066 0.6258 -4.9372 0.1589 0.2122 -0.0618 0.0355 0.0451 0.0419 0.5394 0.6484 0.6484 8.7799 -0.6453 -0.4772 -0.0349 -0.0127 0.0000 356.5100 T0307.try9-opt1-scwrl.pdb.gz 133 0.6372 1.7842 1.7983 3.0178 3.1022 3.6285 3.8553 0.8220 -6.0708 0.2525 0.1429 -0.0587 0.1968 0.1053 0.0520 0.0632 0.1445 0.1445 9.1027 -0.6236 -0.4775 -0.0325 -0.0121 0.0000 357.6855 T0307.try9-opt1.pdb.gz 133 0.6345 1.7842 1.7983 3.0034 3.1053 3.6333 3.8611 0.8257 -6.0119 0.2525 0.1429 -0.0587 0.2073 0.1053 0.0520 0.0632 0.1445 0.1445 9.1219 -0.6273 -0.4775 -0.0325 -0.0121 0.0000 358.3643 T0307.try3-opt2.pdb.gz 133 0.5702 1.6350 1.7216 2.8420 3.0000 3.5048 3.7426 0.7310 -6.8457 0.1599 0.0911 -0.1388 0.1088 0.0000 0.0156 -0.0377 -0.0712 -0.0712 12.5968 -0.7680 -0.6168 -0.0124 0.0000 0.0000 409.9263 T0307.try3-opt2.repack-nonPC.pdb.gz 133 0.5792 1.6350 1.7216 2.9139 3.0399 3.5975 3.7608 0.7487 -6.4531 0.1599 0.0911 -0.1388 0.0393 0.0000 0.0156 -0.0377 -0.0712 -0.0712 12.6005 -0.7539 -0.6168 -0.0124 0.0000 0.0000 414.8676 T0307.try3-opt2.gromacs0.pdb.gz 133 0.5712 1.6346 1.7521 2.9073 3.0141 3.5114 3.7371 0.7322 -6.1132 0.1364 0.1721 -0.1038 0.0357 0.0000 0.0038 0.3666 0.2994 0.2994 12.6046 -0.7830 -0.6156 -0.0121 0.0000 0.0000 417.3330 T0307.try3-opt1.pdb.gz 133 0.5833 1.6335 1.7266 2.9100 3.0361 3.5610 3.7757 0.8342 -6.6373 0.1848 0.0880 -0.1367 0.1657 0.0000 0.0104 0.1107 0.1052 0.1052 12.8294 -0.7505 -0.6083 -0.0118 0.0000 0.0000 420.5367 T0307.try3-opt1-scwrl.pdb.gz 133 0.5810 1.6335 1.7266 2.9459 3.0471 3.5808 3.7775 0.8257 -6.7445 0.1848 0.0880 -0.1367 0.1914 0.0000 0.0104 0.1107 0.1052 0.1052 12.8266 -0.7275 -0.6083 -0.0118 0.0000 0.0000 421.3300 T0307.try1-opt2.pdb.gz 133 0.5783 1.6104 1.6852 2.9164 3.0302 3.6000 3.7308 0.0363 -6.6251 0.2589 0.1457 -0.1128 0.1292 0.0226 0.0915 -0.1707 -0.0441 -0.0441 18.0191 -0.6708 -0.5272 -0.0255 -0.0126 0.0000 523.6203 T0307.try1-opt2.repack-nonPC.pdb.gz 133 0.5786 1.6104 1.6852 2.9644 3.1082 3.5919 3.7314 0.1146 -6.3376 0.2589 0.1457 -0.1128 0.0883 0.0226 0.0915 -0.1707 -0.0441 -0.0441 18.0123 -0.6500 -0.5272 -0.0255 -0.0126 0.0000 526.9383 T0307.try1-opt1-scwrl.pdb.gz 133 0.5836 1.6151 1.6829 2.9707 3.1122 3.6606 3.7619 0.2225 -6.4670 0.2903 0.1564 -0.1145 0.2316 0.0376 0.0860 -0.0200 0.1068 0.1068 17.8543 -0.6316 -0.4973 -0.0248 -0.0126 0.0000 527.7082 T0307.try1-opt1.pdb.gz 133 0.5895 1.6151 1.6829 2.9871 3.1281 3.6535 3.7617 0.2292 -6.3655 0.2903 0.1564 -0.1145 0.2184 0.0376 0.0860 -0.0200 0.1068 0.1068 17.8680 -0.6378 -0.4973 -0.0248 -0.0126 0.0000 528.8865 T0307.try1-opt2.gromacs0.pdb.gz 133 0.5854 1.6293 1.6938 2.9531 3.0849 3.6103 3.7336 0.0356 -5.2739 0.3963 0.2452 -0.1075 0.0595 0.0902 0.0689 0.2871 0.4045 0.4045 17.9997 -0.6624 -0.5119 -0.0168 -0.0119 0.0000 536.0390 T0307.try4-opt2.pdb.gz 133 0.5862 1.6732 1.7257 2.8504 3.0257 3.5421 3.7965 2.0327 -6.6784 0.1770 0.0957 -0.0753 0.1335 0.0150 0.0233 0.0966 0.0047 0.0047 19.6486 -0.7501 -0.5790 -0.0085 0.0000 0.0000 558.4762 T0307.try4-opt2.repack-nonPC.pdb.gz 133 0.5845 1.6732 1.7257 2.9365 3.0543 3.5853 3.8077 2.0919 -6.3183 0.1770 0.0957 -0.0753 0.0966 0.0150 0.0233 0.0966 0.0047 0.0047 19.6351 -0.7229 -0.5790 -0.0085 0.0000 0.0000 562.4333 T0307.try4-opt2.gromacs0.pdb.gz 133 0.5822 1.6669 1.7414 2.8950 3.0636 3.5660 3.7957 2.0344 -5.5303 0.1717 0.2016 -0.0369 0.0508 0.0226 0.0184 0.6633 0.4784 0.4784 19.6644 -0.7216 -0.5582 -0.0087 0.0000 0.0000 569.9631 T0307.try4-opt1.pdb.gz 133 0.5953 1.6686 1.7151 2.9002 3.0542 3.5538 3.8199 2.1468 -6.5341 0.1936 0.0974 -0.0597 0.2210 0.0226 0.0238 0.2503 0.1106 0.1106 20.1711 -0.7071 -0.5567 -0.0073 0.0000 0.0000 573.8569 T0307.try4-opt1-scwrl.pdb.gz 133 0.5897 1.6686 1.7151 2.9128 3.0741 3.5887 3.8328 2.1901 -6.5350 0.1936 0.0974 -0.0597 0.2770 0.0226 0.0238 0.2503 0.1106 0.1106 20.1503 -0.6905 -0.5567 -0.0073 0.0000 0.0000 575.2572