# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 25 * dry5(5) + 40 * dry6.5(6.5) + 25 * dry8(8) + 5 * dry12(12) + 4 * phobic_fit + 8 * sidechain + 20 * n_ca_c + 20 * bad_peptide + 5 * bystroff + 60 * soft_clashes + 2 * backbone_clashes + 300 * break + 2 * alpha + 2 * alpha_prev + 5 * 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 alpha alpha_prev 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 T0366.try2-opt2.pdb.gz 212 0.5377 1.5591 1.5916 3.0366 3.0159 3.2584 3.4103 -0.5215 -5.5516 0.3671 0.1187 -0.2472 0.0692 0.0283 0.0191 0.9456 1.0268 -0.2117 -0.6391 -0.4004 -0.2104 -0.1495 0.0000 261.0335 T0366.try2-opt2.unpack.pdb.gz 212 0.5377 1.5591 1.5916 3.0366 3.0159 3.2584 3.4103 -0.5215 -5.5516 0.3671 0.1187 -0.2472 0.0692 0.0283 0.0191 0.9456 1.0268 -0.2117 -0.6391 -0.4004 -0.2104 -0.1495 0.0000 261.0335 T0366.try8-opt2.pdb.gz 212 0.5411 1.6959 1.6622 3.0437 3.0578 3.3061 3.5261 -0.3170 -5.1992 0.1804 0.2064 -0.4268 0.0314 0.0377 0.0031 1.2982 1.3473 -0.3428 -0.5860 -0.3592 -0.1848 -0.1236 0.0000 264.6708 T0366.try8-opt2.unpack.pdb.gz 212 0.5411 1.6959 1.6622 3.0437 3.0578 3.3061 3.5261 -0.3170 -5.1992 0.1804 0.2064 -0.4268 0.0314 0.0377 0.0031 1.2982 1.3473 -0.3428 -0.5860 -0.3592 -0.1848 -0.1236 0.0000 264.6708 T0366.try2-opt1.pdb.gz 212 0.5326 1.5627 1.5672 3.0594 3.0553 3.2852 3.4191 -0.4781 -5.7439 0.3635 0.1190 -0.2394 0.0854 0.0094 0.0216 0.9570 1.0267 -0.2162 -0.6355 -0.4027 -0.2127 -0.1382 0.0000 265.0090 T0366.try12-opt2.pdb.gz 212 0.5362 1.6304 1.5985 3.0570 3.0368 3.3266 3.5252 -0.3081 -5.4271 0.2015 0.1800 -0.4817 0.0472 0.0283 0.0046 1.3202 1.4027 -0.3590 -0.4881 -0.3552 -0.1768 -0.1138 0.0000 265.1694 T0366.try12-opt2.unpack.pdb.gz 212 0.5362 1.6304 1.5985 3.0570 3.0368 3.3266 3.5252 -0.3081 -5.4271 0.2015 0.1800 -0.4817 0.0472 0.0283 0.0046 1.3202 1.4027 -0.3590 -0.4881 -0.3552 -0.1768 -0.1138 0.0000 265.1694 T0366.try7-opt2.pdb.gz 212 0.5479 1.7086 1.6429 3.0419 3.0607 3.2913 3.5138 -0.2541 -5.1245 0.2138 0.1975 -0.4791 0.0183 0.0189 0.0081 1.3113 1.3293 -0.3587 -0.5878 -0.3549 -0.1898 -0.1263 0.0000 265.5653 T0366.try7-opt2.unpack.pdb.gz 212 0.5479 1.7086 1.6429 3.0419 3.0607 3.2913 3.5138 -0.2541 -5.1245 0.2138 0.1975 -0.4791 0.0183 0.0189 0.0081 1.3113 1.3293 -0.3587 -0.5878 -0.3549 -0.1898 -0.1263 0.0000 265.5653 T0366.try1-opt2.pdb.gz 212 0.5330 1.5639 1.5647 3.0664 3.0576 3.2871 3.4191 -0.4785 -5.7344 0.3648 0.1214 -0.2407 0.0860 0.0094 0.0253 0.9032 0.9775 -0.2083 -0.6354 -0.4028 -0.2124 -0.1385 0.0000 266.4285 T0366.try1-opt2.unpack.pdb.gz 212 0.5330 1.5639 1.5647 3.0664 3.0576 3.2871 3.4191 -0.4785 -5.7344 0.3648 0.1214 -0.2407 0.0860 0.0094 0.0253 0.9032 0.9775 -0.2083 -0.6354 -0.4028 -0.2124 -0.1385 0.0000 266.4285 T0366.try2-opt2.unpack.gromacs0.pdb.gz 212 0.5373 1.5674 1.5841 3.0991 3.0461 3.2760 3.4133 -0.5200 -4.7310 0.2084 0.2093 -0.2486 0.0191 0.0094 0.0072 1.4020 1.4988 -0.2060 -0.6225 -0.3870 -0.1991 -0.1373 0.0000 266.7214 T0366.try1-opt1.pdb.gz 212 0.5315 1.5384 1.5585 3.0776 3.0877 3.3142 3.4462 -0.3556 -5.5201 0.3532 0.0993 -0.2712 0.0684 0.0000 0.0100 1.1047 1.2191 -0.1977 -0.5944 -0.3844 -0.1918 -0.1286 0.0000 267.6043 T0366.try1-opt2.unpack.gromacs0.pdb.gz 212 0.5290 1.5730 1.5819 3.1171 3.0812 3.2960 3.4211 -0.4763 -4.9577 0.2220 0.1945 -0.2564 0.0230 0.0000 0.0052 1.3785 1.4928 -0.2084 -0.6149 -0.3880 -0.2008 -0.1272 0.0000 267.7795 T0366.try10-opt2.pdb.gz 212 0.5346 1.6438 1.6125 3.1247 3.0864 3.3275 3.4989 -0.4890 -5.1628 0.1996 0.2116 -0.4267 0.0396 0.0330 0.0073 1.3262 1.4089 -0.2843 -0.5111 -0.3433 -0.1944 -0.1307 0.0000 269.2774 T0366.try10-opt2.unpack.pdb.gz 212 0.5346 1.6438 1.6125 3.1247 3.0864 3.3275 3.4989 -0.4890 -5.1628 0.1996 0.2116 -0.4267 0.0396 0.0330 0.0073 1.3262 1.4089 -0.2843 -0.5111 -0.3433 -0.1944 -0.1307 0.0000 269.2774 T0366.try2-opt2.repack-nonPC.pdb.gz 212 0.5433 1.5591 1.5916 3.1116 3.0986 3.2976 3.4212 -0.5211 -5.3185 0.3671 0.1187 -0.2472 0.0645 0.0283 0.0191 0.9456 1.0268 -0.2067 -0.5544 -0.4004 -0.2104 -0.1495 0.0000 269.3597 T0366.try12-opt1.pdb.gz 212 0.5364 1.6363 1.5895 3.0819 3.0539 3.3315 3.5380 -0.2673 -5.2471 0.2087 0.1845 -0.5014 0.0684 0.0283 0.0048 1.3197 1.3998 -0.3637 -0.5049 -0.3517 -0.1757 -0.1133 0.0000 269.7325 T0366.try2-opt2.unpack.gromacs0.repack-nonPC.pdb.gz 212 0.5419 1.5674 1.5841 3.1435 3.0775 3.3020 3.4173 -0.5116 -4.7137 0.2084 0.2093 -0.2486 0.0352 0.0094 0.0072 1.4020 1.4988 -0.2078 -0.5553 -0.3870 -0.1991 -0.1373 0.0000 271.2883 T0366.try1-opt2.unpack.gromacs0.repack-nonPC.pdb.gz 212 0.5306 1.5730 1.5819 3.1528 3.1075 3.3122 3.4298 -0.4753 -4.8189 0.2220 0.1945 -0.2564 0.0288 0.0000 0.0052 1.3785 1.4928 -0.2039 -0.5619 -0.3880 -0.2008 -0.1272 0.0000 271.9508 T0366.try1-opt2.unpack.gromacs0.repack-nonPC.unpack.pdb.gz 212 0.5306 1.5730 1.5819 3.1528 3.1075 3.3122 3.4298 -0.4753 -4.8189 0.2220 0.1945 -0.2564 0.0288 0.0000 0.0052 1.3785 1.4928 -0.2039 -0.5619 -0.3880 -0.2008 -0.1272 0.0000 271.9508 T0366.try7-opt1.pdb.gz 212 0.5510 1.7140 1.6439 3.0533 3.0637 3.2862 3.5121 -0.2453 -4.7245 0.2576 0.2056 -0.4548 0.0300 0.0283 0.0095 1.3144 1.3250 -0.3409 -0.5928 -0.3520 -0.1871 -0.1234 0.0000 271.9676 T0366.try11-opt2.pdb.gz 212 0.5218 1.6343 1.5995 3.0755 3.0643 3.3326 3.5317 -0.3719 -5.1661 0.2376 0.1801 -0.4607 0.0694 0.0566 0.0074 1.2847 1.3525 -0.3603 -0.4860 -0.3395 -0.1724 -0.1119 0.0000 271.9993 T0366.try11-opt2.unpack.pdb.gz 212 0.5218 1.6343 1.5995 3.0755 3.0643 3.3326 3.5317 -0.3719 -5.1661 0.2376 0.1801 -0.4607 0.0694 0.0566 0.0074 1.2847 1.3525 -0.3603 -0.4860 -0.3395 -0.1724 -0.1119 0.0000 271.9993 T0366.try8-opt1.pdb.gz 212 0.5368 1.7010 1.6542 3.1001 3.0770 3.3086 3.5207 -0.2606 -4.8266 0.2416 0.2134 -0.4296 0.0367 0.0519 0.0034 1.2951 1.3472 -0.3331 -0.5464 -0.3403 -0.1784 -0.1226 0.0000 272.6358 T0366.try8-opt2.repack-nonPC.pdb.gz 212 0.5354 1.6959 1.6622 3.1465 3.0919 3.3163 3.5266 -0.2225 -4.8135 0.1804 0.2064 -0.4268 0.0386 0.0377 0.0031 1.2982 1.3473 -0.3360 -0.5631 -0.3592 -0.1848 -0.1236 0.0000 272.8263 T0366.try5-opt2.pdb.gz 212 0.5577 1.5897 1.6157 2.9939 3.0263 3.2907 3.4587 0.0019 -5.5145 0.4093 0.1198 -0.3575 0.1344 0.0849 0.0083 1.1741 1.2612 0.5444 -0.5991 -0.3890 -0.2070 -0.1278 0.0000 272.8307 T0366.try5-opt2.unpack.pdb.gz 212 0.5577 1.5897 1.6157 2.9939 3.0263 3.2907 3.4587 0.0019 -5.5145 0.4093 0.1198 -0.3575 0.1344 0.0849 0.0083 1.1741 1.2612 0.5444 -0.5991 -0.3890 -0.2070 -0.1278 0.0000 272.8307 T0366.try3-opt2.pdb.gz 212 0.5629 1.6215 1.6463 3.0006 3.0376 3.2956 3.4566 -0.1160 -5.4477 0.4245 0.1129 -0.3380 0.1163 0.0943 0.0081 1.1723 1.2577 0.5422 -0.5753 -0.3940 -0.2116 -0.1284 0.0000 272.9365 T0366.try3-opt2.unpack.pdb.gz 212 0.5629 1.6215 1.6463 3.0006 3.0376 3.2956 3.4566 -0.1160 -5.4477 0.4245 0.1129 -0.3380 0.1163 0.0943 0.0081 1.1723 1.2577 0.5422 -0.5753 -0.3940 -0.2116 -0.1284 0.0000 272.9365 T0366.try12-opt2.repack-nonPC.pdb.gz 212 0.5386 1.6304 1.5985 3.1291 3.0912 3.3753 3.5542 -0.2898 -5.2322 0.2015 0.1800 -0.4817 0.0616 0.0283 0.0046 1.3202 1.4027 -0.3699 -0.4927 -0.3552 -0.1768 -0.1138 0.0000 272.9624 dimer-try3-1tp5A.pdb.gz 212 0.5357 1.5004 1.5433 3.0944 3.1359 3.3555 3.5020 0.5459 -5.4575 0.3420 0.1051 -0.2811 0.0327 0.0000 0.0108 1.1512 1.2517 -0.1906 -0.5687 -0.3783 -0.1857 -0.1285 0.0000 273.7952 T0366.try1-opt2.repack-nonPC.pdb.gz 212 0.5417 1.5639 1.5647 3.1073 3.1147 3.3127 3.4288 -0.4917 -5.3903 0.3648 0.1214 -0.2407 0.0916 0.0094 0.0253 0.9032 0.9775 -0.2000 -0.5546 -0.4028 -0.2124 -0.1385 0.0000 274.0359 T0366.try10-opt2.repack-nonPC.pdb.gz 212 0.5564 1.6438 1.6125 3.1535 3.1526 3.3279 3.4935 -0.4807 -4.9619 0.1996 0.2116 -0.4267 0.0328 0.0330 0.0073 1.3262 1.4089 -0.2883 -0.5299 -0.3433 -0.1944 -0.1307 0.0000 274.0757 T0366.try7-opt2.repack-nonPC.pdb.gz 212 0.5458 1.7086 1.6429 3.1377 3.1137 3.3188 3.5292 -0.2135 -4.8226 0.2138 0.1975 -0.4791 0.0345 0.0189 0.0081 1.3113 1.3293 -0.3380 -0.5693 -0.3549 -0.1898 -0.1263 0.0000 274.5573 T0366.try5-opt1.pdb.gz 212 0.5632 1.5864 1.6186 3.0150 3.0355 3.2929 3.4600 0.0009 -5.4526 0.4207 0.1134 -0.3575 0.1405 0.0849 0.0082 1.1709 1.2599 0.5399 -0.5740 -0.3887 -0.2057 -0.1277 0.0000 274.9843 T0366.try10-opt1.pdb.gz 212 0.5341 1.6551 1.6136 3.1504 3.1151 3.3229 3.4963 -0.5216 -4.8799 0.2183 0.2161 -0.4317 0.0627 0.0519 0.0076 1.3267 1.4094 -0.2786 -0.5380 -0.3275 -0.1835 -0.1279 0.0000 275.9797 T0366.try9-opt2.pdb.gz 212 0.5242 1.6301 1.5829 3.1644 3.1325 3.3534 3.5048 -0.1339 -5.1158 0.2087 0.1807 -0.4636 0.0709 0.0330 0.0049 1.3929 1.4796 -0.2875 -0.5244 -0.3380 -0.1859 -0.1167 0.0000 276.8310 T0366.try9-opt2.unpack.pdb.gz 212 0.5242 1.6301 1.5829 3.1644 3.1325 3.3534 3.5048 -0.1339 -5.1158 0.2087 0.1807 -0.4636 0.0709 0.0330 0.0049 1.3929 1.4796 -0.2875 -0.5244 -0.3380 -0.1859 -0.1167 0.0000 276.8310 T0366.try3-opt1.pdb.gz 212 0.5678 1.5863 1.6354 3.0222 3.0806 3.3120 3.4680 0.0237 -5.3589 0.4413 0.1090 -0.3313 0.1024 0.0849 0.0067 1.2094 1.2953 0.5340 -0.5370 -0.3721 -0.1960 -0.1280 0.0000 277.1191 T0366.try6-opt2.pdb.gz 212 0.5502 1.6943 1.6236 3.0256 3.0450 3.2867 3.5151 -0.1886 -5.1052 0.6406 0.1895 -0.4679 0.0710 0.0472 0.0208 1.1408 1.1903 -0.3385 -0.5756 -0.3615 -0.1982 -0.1364 0.0000 278.1956 T0366.try6-opt2.unpack.pdb.gz 212 0.5502 1.6943 1.6236 3.0256 3.0450 3.2867 3.5151 -0.1886 -5.1052 0.6406 0.1895 -0.4679 0.0710 0.0472 0.0208 1.1408 1.1903 -0.3385 -0.5756 -0.3615 -0.1982 -0.1364 0.0000 278.1956 T0366.try8-opt1-scwrl.pdb.gz 212 0.5486 1.7022 1.6546 3.1637 3.0961 3.3086 3.5158 -0.2173 -5.1857 0.2419 0.2132 -0.4296 0.1325 0.0566 0.0033 1.2931 1.3472 -0.3217 -0.5431 -0.3403 -0.1785 -0.1226 0.0000 278.2753 T0366.try4-opt2.pdb.gz 212 0.5690 1.6078 1.6478 3.0344 3.0692 3.3098 3.4649 -0.5987 -4.9828 0.4052 0.1081 -0.3084 0.1483 0.1038 0.0117 1.1202 1.2118 0.1944 -0.5470 -0.3580 -0.1904 -0.1393 0.0000 278.4608 T0366.try4-opt2.unpack.pdb.gz 212 0.5690 1.6078 1.6478 3.0344 3.0692 3.3098 3.4649 -0.5987 -4.9828 0.4052 0.1081 -0.3084 0.1483 0.1038 0.0117 1.1202 1.2118 0.1944 -0.5470 -0.3580 -0.1904 -0.1393 0.0000 278.4608 T0366.try12-opt1-scwrl.pdb.gz 212 0.5565 1.6363 1.5895 3.1481 3.1058 3.3704 3.5554 -0.2655 -5.5388 0.2088 0.1845 -0.5014 0.1732 0.0283 0.0048 1.3197 1.3998 -0.3613 -0.5441 -0.3517 -0.1757 -0.1133 0.0000 278.5985 T0366.try9-opt2.repack-nonPC.pdb.gz 212 0.5397 1.6301 1.5829 3.1837 3.1705 3.3725 3.5079 -0.1248 -5.1408 0.2087 0.1807 -0.4636 0.0651 0.0330 0.0049 1.3929 1.4796 -0.2987 -0.5346 -0.3380 -0.1859 -0.1167 0.0000 278.9331 T0366.try8-opt2.unpack.gromacs0.pdb.gz 212 0.5424 1.6879 1.6639 3.0710 3.0910 3.3139 3.5289 -0.3186 -4.6103 0.1636 0.2693 -0.4243 0.0049 0.0094 0.0253 1.4218 1.4754 -0.3359 -0.5713 -0.3435 -0.1836 -0.1144 0.0000 279.2819 T0366.try2-opt1-scwrl.pdb.gz 212 0.5429 1.5635 1.5679 3.0969 3.1141 3.3264 3.4269 -0.4974 -5.5576 0.3630 0.1191 -0.2394 0.2274 0.0094 0.0216 0.9567 1.0268 -0.1951 -0.5848 -0.4027 -0.2126 -0.1382 0.0000 279.8220 T0366.try11-opt2.repack-nonPC.pdb.gz 212 0.5340 1.6343 1.5995 3.1339 3.1098 3.3743 3.5430 -0.3582 -4.9246 0.2376 0.1801 -0.4607 0.0912 0.0566 0.0074 1.2847 1.3525 -0.3714 -0.4774 -0.3395 -0.1724 -0.1119 0.0000 279.8411 T0366.try12-opt2.unpack.gromacs0.pdb.gz 212 0.5377 1.6579 1.6144 3.0941 3.0754 3.3408 3.5295 -0.3079 -4.5446 0.2009 0.2343 -0.4360 0.0187 0.0094 0.0182 1.3830 1.4437 -0.3520 -0.4841 -0.3425 -0.1715 -0.1113 0.0000 279.8413 T0366.try7-opt2.unpack.gromacs0.pdb.gz 212 0.5504 1.6995 1.6319 3.0506 3.0878 3.2983 3.5179 -0.2578 -4.5029 0.1672 0.2725 -0.4376 0.0061 0.0142 0.0333 1.4149 1.4590 -0.3544 -0.5890 -0.3477 -0.1853 -0.1251 0.0000 280.4435 T0366.try10-opt1-scwrl.pdb.gz 212 0.5479 1.6547 1.6155 3.1853 3.1500 3.3543 3.4946 -0.5415 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