# cost function cost = # ( 15 * wet6.5(6.5, /log(length)) + 5 * near_backbone(9.65) + 5 * way_back(8.9) + 30 * 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 + 40 * soft_clashes + 2 * backbone_clashes + 100 * 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 ) 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 T0344.try12-opt2.pdb.gz 229 0.5497 1.6689 1.6978 3.0586 3.1262 3.5451 3.6935 2.4457 -5.3769 0.1148 0.0925 -0.1481 0.1486 0.0437 0.0181 0.5050 0.6342 0.5762 -0.4325 -0.4529 -0.3444 -0.0888 -0.0816 0.0000 218.4063 T0344.try12-opt2.gromacs0.pdb.gz 229 0.5514 1.6872 1.7082 3.0931 3.1515 3.5527 3.6944 2.4502 -4.6215 0.1369 0.2216 -0.1941 0.0295 0.0218 0.0159 0.7101 0.8787 0.8076 -0.4363 -0.4600 -0.3366 -0.0859 -0.0797 0.0000 221.8617 T0344.try12-opt2.repack-nonPC.pdb.gz 229 0.5468 1.6689 1.6978 3.1379 3.1746 3.5822 3.7033 2.4842 -5.0972 0.1148 0.0925 -0.1481 0.1302 0.0437 0.0181 0.5050 0.6342 0.5762 -0.4297 -0.4250 -0.3444 -0.0888 -0.0816 0.0000 223.2264 T0344.try8-opt2.pdb.gz 229 0.5309 1.6366 1.6559 3.0758 3.1672 3.5123 3.6603 0.9088 -5.0525 0.1738 0.1125 -0.2017 0.1281 0.0568 0.0228 0.3629 0.5508 0.4944 0.2988 -0.4452 -0.3710 -0.0879 -0.0791 0.0000 223.6493 T0344.try12-opt1.pdb.gz 229 0.5553 1.6659 1.7205 3.1206 3.1714 3.5570 3.6999 2.4846 -5.2101 0.0879 0.0987 -0.1597 0.1903 0.0524 0.0207 0.5276 0.6766 0.6064 -0.4025 -0.4256 -0.3281 -0.0849 -0.0755 0.0000 225.8899 T0344.try12-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5494 1.6872 1.7082 3.1694 3.1887 3.5844 3.6952 2.4933 -4.5538 0.1369 0.2216 -0.1941 0.0343 0.0218 0.0159 0.7101 0.8787 0.8076 -0.4363 -0.4136 -0.3366 -0.0859 -0.0797 0.0000 226.1930 T0344.try8-opt2.gromacs0.pdb.gz 229 0.5346 1.6471 1.6691 3.1114 3.1853 3.5206 3.6614 0.9096 -4.4323 0.1403 0.2087 -0.1973 0.0282 0.0087 0.0158 0.6660 0.8634 0.7871 0.2922 -0.4472 -0.3543 -0.0815 -0.0689 0.0000 227.7572 T0344.try8-opt2.repack-nonPC.pdb.gz 229 0.5548 1.6366 1.6559 3.1793 3.2283 3.5514 3.6659 0.9395 -4.9156 0.1738 0.1125 -0.2017 0.0981 0.0568 0.0228 0.3629 0.5508 0.4944 0.2985 -0.4515 -0.3710 -0.0879 -0.0791 0.0000 228.4630 T0344.try8-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5482 1.6471 1.6691 3.1490 3.2291 3.5539 3.6726 0.9391 -4.5143 0.1403 0.2087 -0.1973 0.0243 0.0087 0.0158 0.6660 0.8634 0.7871 0.2902 -0.4329 -0.3543 -0.0815 -0.0689 0.0000 230.0635 T0344.try6-opt2.pdb.gz 229 0.5520 1.6699 1.6893 3.0629 3.1712 3.5460 3.6503 0.5027 -5.1037 0.1457 0.0981 -0.2025 0.1661 0.0568 0.0174 0.5849 0.7050 0.6694 0.5963 -0.4144 -0.3178 -0.0711 -0.0613 0.0000 231.4511 T0344.try10-opt2.pdb.gz 229 0.5299 1.6337 1.6554 3.0407 3.1779 3.6309 3.7599 2.7041 -5.1449 0.1410 0.0844 -0.1937 0.1455 0.0437 0.0150 0.4672 0.6133 0.5555 1.1772 -0.4825 -0.3916 -0.1169 -0.1015 0.0000 232.8220 T0344.try6-opt2.gromacs0.pdb.gz 229 0.5538 1.6720 1.6890 3.0982 3.1839 3.5513 3.6496 0.5044 -4.2325 0.1339 0.2265 -0.2106 0.0335 0.0349 0.0119 0.7758 0.9445 0.8820 0.5964 -0.4075 -0.3130 -0.0666 -0.0595 0.0000 234.2990 T0344.try6-opt2.repack-nonPC.pdb.gz 229 0.5585 1.6699 1.6893 3.1337 3.2076 3.5726 3.6523 0.5129 -4.9505 0.1457 0.0981 -0.2025 0.1413 0.0568 0.0174 0.5849 0.7050 0.6694 0.5909 -0.3840 -0.3178 -0.0711 -0.0613 0.0000 234.7031 T0344.try12-opt1-scwrl.pdb.gz 229 0.5548 1.6659 1.7205 3.1484 3.1988 3.5761 3.7046 2.5071 -5.4778 0.0879 0.0987 -0.1597 0.4053 0.0524 0.0207 0.5276 0.6766 0.6064 -0.3993 -0.3987 -0.3281 -0.0849 -0.0755 0.0000 235.0443 T0344.try10-opt2.gromacs0.pdb.gz 229 0.5316 1.6436 1.6590 3.0935 3.2010 3.6433 3.7607 2.7055 -4.7327 0.1250 0.1998 -0.1749 0.0372 0.0349 0.0140 0.6625 0.8230 0.7597 1.1801 -0.4891 -0.3914 -0.1169 -0.1006 0.0000 235.2409 T0344.try8-opt1.pdb.gz 229 0.5412 1.6542 1.6672 3.1885 3.2060 3.5434 3.6798 1.1174 -4.8498 0.0759 0.1123 -0.2000 0.2005 0.0742 0.0170 0.4873 0.6762 0.6139 0.3074 -0.4228 -0.3465 -0.0742 -0.0605 0.0000 235.7001 T0344.try10-opt2.repack-nonPC.pdb.gz 229 0.5311 1.6337 1.6554 3.0923 3.2159 3.6591 3.7752 2.7546 -4.9488 0.1410 0.0844 -0.1937 0.1349 0.0437 0.0150 0.4672 0.6133 0.5555 1.1705 -0.4677 -0.3916 -0.1169 -0.1015 0.0000 236.3143 T0344.try6-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5498 1.6720 1.6890 3.1516 3.2150 3.5776 3.6591 0.5257 -4.3135 0.1339 0.2265 -0.2106 0.0326 0.0349 0.0119 0.7758 0.9445 0.8820 0.5888 -0.3773 -0.3130 -0.0666 -0.0595 0.0000 236.5789 T0344.try10-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5356 1.6436 1.6590 3.1340 3.2247 3.6706 3.7786 2.7588 -4.8022 0.1250 0.1998 -0.1749 0.0339 0.0349 0.0140 0.6625 0.8230 0.7597 1.1700 -0.4680 -0.3914 -0.1169 -0.1006 0.0000 237.1193 T0344.try6-opt1.pdb.gz 229 0.5538 1.6676 1.6825 3.1347 3.2217 3.5882 3.6723 0.6439 -5.0798 0.0824 0.0985 -0.2094 0.2055 0.0568 0.0156 0.6165 0.7762 0.7142 0.6138 -0.3799 -0.2926 -0.0614 -0.0520 0.0000 239.0979 T0344.try10-opt1.pdb.gz 229 0.5352 1.6434 1.6585 3.1054 3.2038 3.6409 3.7695 2.7063 -4.9767 0.0875 0.0785 -0.1879 0.1789 0.0524 0.0093 0.5482 0.7128 0.6519 1.1715 -0.4309 -0.3599 -0.1062 -0.0909 0.0000 239.6215 T0344.try8-opt1-scwrl.pdb.gz 229 0.5407 1.6542 1.6672 3.1653 3.2153 3.5676 3.7001 1.1554 -5.3532 0.0759 0.1123 -0.2000 0.3715 0.0742 0.0170 0.4873 0.6762 0.6139 0.3080 -0.4087 -0.3465 -0.0742 -0.0605 0.0000 240.1189 robetta-model8.pdb.gz 229 0.5578 1.6616 1.7134 3.2809 3.3409 3.6034 3.7221 2.8121 -4.8545 0.0006 0.0901 -0.1743 0.3546 0.1223 0.0069 0.7368 0.8972 0.8283 -0.3709 -0.3637 -0.2839 -0.0629 -0.0464 0.0000 248.4143 T0344.try6-opt1-scwrl.pdb.gz 229 0.5653 1.6676 1.6825 3.2172 3.2473 3.6118 3.6830 0.6803 -5.4692 0.0824 0.0985 -0.2094 0.4411 0.0568 0.0156 0.6165 0.7762 0.7142 0.6033 -0.3458 -0.2926 -0.0614 -0.0520 0.0000 250.2831 T0344.try10-opt1-scwrl.pdb.gz 229 0.5302 1.6434 1.6585 3.2463 3.2120 3.6561 3.7854 2.7796 -5.4758 0.0875 0.0785 -0.1879 0.5245 0.0524 0.0093 0.5482 0.7128 0.6519 1.1534 -0.4345 -0.3599 -0.1062 -0.0909 0.0000 255.5201 robetta-model2.pdb.gz 229 0.5481 1.6605 1.6987 3.2570 3.3598 3.6824 3.7252 1.5759 -4.8379 0.0006 0.0860 -0.1973 0.2833 0.0742 0.0073 0.8042 0.9758 0.9086 0.6552 -0.3407 -0.2426 -0.0306 -0.0257 0.0000 258.5289 robetta-model4.pdb.gz 229 0.5398 1.6588 1.6929 3.3564 3.2978 3.5721 3.6807 1.1755 -4.8643 0.0006 0.0959 -0.1715 0.4530 0.0961 0.0073 0.6634 0.8417 0.7708 0.3736 -0.3467 -0.2716 -0.0452 -0.0255 0.0000 259.6959 robetta-model6.pdb.gz 229 0.5360 1.6636 1.6905 3.2295 3.2571 3.6271 3.7414 2.6196 -5.0251 0.0006 0.0738 -0.1652 0.3416 0.1266 0.0043 0.6458 0.8164 0.7587 1.2249 -0.3430 -0.2787 -0.0496 -0.0308 0.0000 260.9545 robetta-model10.pdb.gz 229 0.5408 1.6690 1.6914 3.2410 3.3388 3.7117 3.8329 3.9078 -5.2405 0.0006 0.0991 -0.1990 0.2250 0.1048 0.0091 0.7842 0.9165 0.8265 1.0364 -0.3213 -0.2530 -0.0495 -0.0298 0.0000 261.3173 T0344.try9-opt2.pdb.gz 229 0.5340 1.7698 1.7770 3.0279 3.0794 3.4176 3.5620 0.1261 -4.3815 0.2726 0.0942 -0.0073 0.1848 0.0175 0.0290 0.8422 0.8330 0.7523 4.6913 -0.4645 -0.3683 -0.1176 -0.0961 0.0000 268.4481 T0344.try9-opt2.repack-nonPC.pdb.gz 229 0.5425 1.7698 1.7770 3.1174 3.1405 3.4395 3.5633 0.1192 -4.2315 0.2726 0.0942 -0.0073 0.1768 0.0175 0.0290 0.8422 0.8330 0.7523 4.6884 -0.4790 -0.3683 -0.1176 -0.0961 0.0000 273.1344 T0344.try9-opt2.gromacs0.pdb.gz 229 0.5365 1.7699 1.7779 3.0567 3.0813 3.4162 3.5640 0.1279 -3.3127 0.1850 0.2448 0.0053 0.0561 0.0393 0.0304 1.5986 1.5518 1.4183 4.6903 -0.4616 -0.3669 -0.1176 -0.0962 0.0000 275.1929 T0344.try3-opt2.repack-nonPC.pdb.gz 229 0.5780 1.7856 1.7567 3.0690 3.0649 3.5177 3.6540 1.3566 -4.6308 0.4226 0.1608 -0.0010 0.3411 0.1223 0.1460 0.5709 0.5865 0.5346 3.4973 -0.5139 -0.4120 -0.1210 -0.1166 0.0000 276.5058 T0344.try5-opt2.pdb.gz 229 0.5610 1.7382 1.7748 3.1047 3.1874 3.3724 3.5213 -0.0864 -4.4817 0.4257 0.1064 -0.0373 0.1819 0.0349 0.0446 0.6035 0.6245 0.6236 5.2011 -0.5207 -0.3722 -0.1133 -0.0991 0.0000 277.1058 T0344.try3-opt2.pdb.gz 229 0.5768 1.7856 1.7567 3.0089 3.0563 3.5106 3.6627 1.3512 -5.0477 0.4226 0.1608 -0.0010 0.4742 0.1223 0.1460 0.5709 0.5865 0.5346 3.4849 -0.5128 -0.4120 -0.1210 -0.1166 0.0000 277.5554 T0344.try9-opt1.pdb.gz 229 0.5565 1.7603 1.7765 3.0974 3.1524 3.4750 3.5792 0.1385 -4.1133 0.2441 0.0863 0.0104 0.2456 0.0131 0.0231 1.0223 1.0178 0.9333 4.6699 -0.4511 -0.3581 -0.1136 -0.0923 0.0000 277.9358 T0344.try9-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5463 1.7699 1.7779 3.1183 3.1402 3.4339 3.5558 0.1156 -3.3676 0.1850 0.2448 0.0053 0.0562 0.0393 0.0304 1.5986 1.5518 1.4183 4.6912 -0.4633 -0.3669 -0.1176 -0.0962 0.0000 278.2984 T0344.try5-opt2.repack-nonPC.pdb.gz 229 0.5699 1.7382 1.7748 3.2133 3.2146 3.4188 3.5492 -0.0638 -4.2687 0.4257 0.1064 -0.0373 0.1683 0.0349 0.0446 0.6035 0.6245 0.6236 5.1896 -0.4867 -0.3722 -0.1133 -0.0991 0.0000 282.5000 T0344.try7-opt2.pdb.gz 229 0.5774 1.7318 1.7569 3.1194 3.1212 3.4191 3.5451 0.4723 -4.2466 0.5699 0.0998 -0.0988 0.1826 0.0218 0.0250 0.8688 0.8621 0.8471 5.5007 -0.4530 -0.3295 -0.1088 -0.0958 0.0000 283.6286 T0344.try3-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5716 1.7964 1.7666 3.0648 3.0463 3.5136 3.6537 1.3579 -2.5319 0.7434 0.3181 0.0892 0.1530 0.1135 0.1177 1.2534 1.2140 1.1455 3.4638 -0.5361 -0.4054 -0.1163 -0.1131 0.0000 283.7605 T0344.try5-opt2.gromacs0.pdb.gz 229 0.5648 1.7476 1.7787 3.1125 3.1956 3.3842 3.5243 -0.0841 -2.9724 0.2832 0.2495 0.0045 0.0592 0.0262 0.0407 1.1516 1.1917 1.1524 5.1930 -0.5223 -0.3629 -0.1040 -0.0936 0.0000 285.2917 T0344.try5-opt1.pdb.gz 229 0.5661 1.7440 1.7822 3.1661 3.2207 3.4006 3.5277 -0.0803 -3.9887 0.4375 0.0953 -0.0070 0.2310 0.0349 0.0382 0.7128 0.7284 0.7270 5.1989 -0.5031 -0.3597 -0.1087 -0.0975 0.0000 285.3304 T0344.try3-opt2.gromacs0.pdb.gz 229 0.5735 1.7964 1.7666 3.0445 3.0666 3.5210 3.6682 1.3578 -2.3670 0.7434 0.3181 0.0892 0.1798 0.1135 0.1177 1.2534 1.2140 1.1455 3.4592 -0.5253 -0.4054 -0.1163 -0.1131 0.0000 285.6759 T0344.try7-opt2.repack-nonPC.pdb.gz 229 0.5728 1.7318 1.7569 3.2076 3.1534 3.4308 3.5490 0.4891 -4.2261 0.5699 0.0998 -0.0988 0.2033 0.0218 0.0250 0.8688 0.8621 0.8471 5.5186 -0.4312 -0.3295 -0.1088 -0.0958 0.0000 288.2948 T0344.try5-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5672 1.7476 1.7787 3.2005 3.2126 3.4119 3.5418 -0.0443 -3.0228 0.2832 0.2495 0.0045 0.0654 0.0262 0.0407 1.1516 1.1917 1.1524 5.1917 -0.5174 -0.3629 -0.1040 -0.0936 0.0000 288.8980 T0344.try7-opt2.gromacs0.pdb.gz 229 0.5825 1.7321 1.7524 3.1249 3.1444 3.4307 3.5463 0.4753 -3.2575 0.2473 0.2255 -0.0649 0.0528 0.0175 0.0238 1.5692 1.5109 1.4653 5.4993 -0.4415 -0.3067 -0.0982 -0.0898 0.0000 289.2673 T0344.try3-opt1.pdb.gz 229 0.5823 1.7808 1.7425 3.0837 3.1161 3.5504 3.6718 1.4380 -4.7838 0.4077 0.1513 0.0210 0.5788 0.1485 0.1481 0.7875 0.7793 0.7264 3.4999 -0.5114 -0.4118 -0.1165 -0.1052 0.0000 290.2359 T0344.try9-opt1-scwrl.pdb.gz 229 0.5501 1.7603 1.7765 3.1675 3.1768 3.4986 3.5894 0.1546 -4.6018 0.2441 0.0863 0.0104 0.5600 0.0131 0.0231 1.0223 1.0178 0.9333 4.6325 -0.4281 -0.3581 -0.1136 -0.0923 0.0000 290.7399 T0344.try2-opt2.pdb.gz 229 0.5482 1.7112 1.7671 3.1084 3.2606 3.7361 3.9241 2.5585 -5.5065 0.3322 0.1433 -0.1060 0.2597 0.1048 0.1091 0.3776 0.4417 0.3800 4.3826 -0.5068 -0.4291 -0.0770 -0.0529 0.0000 291.6617 T0344.try7-opt1.pdb.gz 229 0.5775 1.7408 1.7580 3.1930 3.1872 3.4479 3.5484 0.5419 -4.0662 0.5426 0.0933 -0.0676 0.2299 0.0262 0.0220 0.9752 0.9546 0.9408 5.5258 -0.4370 -0.3179 -0.1055 -0.0930 0.0000 291.7188 T0344.try2-opt2.repack-nonPC.pdb.gz 229 0.5534 1.7112 1.7671 3.1496 3.2970 3.7497 3.9303 2.5766 -5.4055 0.3322 0.1433 -0.1060 0.1865 0.1048 0.1091 0.3776 0.4417 0.3800 4.4057 -0.5103 -0.4291 -0.0770 -0.0529 0.0000 291.7637 T0344.try7-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5796 1.7321 1.7524 3.1716 3.1713 3.4428 3.5526 0.4622 -3.2979 0.2473 0.2255 -0.0649 0.0737 0.0175 0.0238 1.5692 1.5109 1.4653 5.5027 -0.4170 -0.3067 -0.0982 -0.0898 0.0000 292.1412 T0344.try11-opt1.pdb 229 0.5525 1.7444 1.7764 3.1639 3.2320 3.4637 3.5785 0.1365 -3.5710 0.4269 0.1163 -0.0090 0.2551 0.0349 0.0835 0.9850 0.9645 0.9462 4.9838 -0.4827 -0.3701 -0.1168 -0.1000 0.0000 293.2626 T0344.try1-opt2.pdb.gz 229 0.5548 1.7319 1.7499 3.0983 3.1279 3.5798 3.7274 3.3877 -4.9079 0.5552 0.1573 0.0137 0.3310 0.0524 0.1480 0.3899 0.3779 0.3573 4.0899 -0.4989 -0.4111 -0.0988 -0.0661 0.0000 293.3734 T0344.try3-opt1-scwrl.pdb.gz 229 0.5824 1.7808 1.7425 3.1452 3.1439 3.5449 3.6687 1.4497 -4.9676 0.4077 0.1513 0.0210 0.6233 0.1485 0.1481 0.7875 0.7793 0.7264 3.5050 -0.5263 -0.4118 -0.1165 -0.1052 0.0000 293.4028 T0344.try1-opt2.repack-nonPC.pdb.gz 229 0.5469 1.7319 1.7499 3.1388 3.1870 3.6208 3.7460 3.4362 -4.6803 0.5552 0.1573 0.0137 0.2781 0.0524 0.1480 0.3899 0.3779 0.3573 4.0902 -0.5020 -0.4111 -0.0988 -0.0661 0.0000 295.4650 T0344.try2-opt2.gromacs0.pdb.gz 229 0.5525 1.7220 1.7671 3.1498 3.2729 3.7443 3.9268 2.5620 -3.8086 0.3009 0.2516 0.0595 0.0614 0.0742 0.0766 1.0966 1.1868 1.0659 4.3724 -0.5082 -0.4159 -0.0733 -0.0444 0.0000 297.7672 T0344.try5-opt1-scwrl.pdb.gz 229 0.5765 1.7440 1.7822 3.2131 3.2225 3.3816 3.5286 -0.0990 -4.5892 0.4375 0.0953 -0.0070 0.5943 0.0349 0.0382 0.7128 0.7284 0.7270 5.1803 -0.4712 -0.3597 -0.1087 -0.0975 0.0000 298.1149 T0344.try2-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5459 1.7220 1.7671 3.1696 3.2985 3.7654 3.9332 2.5856 -3.8630 0.3009 0.2516 0.0595 0.0466 0.0742 0.0766 1.0966 1.1868 1.0659 4.3862 -0.5079 -0.4159 -0.0733 -0.0444 0.0000 298.4460 T0344.try7-opt1-scwrl.pdb.gz 229 0.5897 1.7408 1.7580 3.2362 3.2177 3.4627 3.5712 0.5597 -4.4283 0.5426 0.0933 -0.0676 0.4848 0.0262 0.0220 0.9752 0.9546 0.9408 5.5139 -0.3946 -0.3179 -0.1055 -0.0930 0.0000 302.6634 T0344.try1-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5413 1.7354 1.7540 3.1482 3.1661 3.6306 3.7465 3.3949 -3.5010 0.9487 0.3058 -0.0276 0.1375 0.1048 0.1139 1.4025 1.4055 1.3436 3.9747 -0.4658 -0.3781 -0.0847 -0.0559 0.0000 302.6862 T0344.try1-opt2.gromacs0.pdb.gz 229 0.5509 1.7354 1.7540 3.1556 3.1552 3.5944 3.7275 3.3842 -3.3438 0.9487 0.3058 -0.0276 0.1459 0.1048 0.1139 1.4025 1.4055 1.3436 3.9424 -0.4766 -0.3781 -0.0847 -0.0559 0.0000 302.9196 T0344.try2-opt1.pdb.gz 229 0.5521 1.6995 1.7612 3.1847 3.3158 3.7898 3.9580 2.8277 -4.9450 0.3469 0.1366 0.0051 0.3039 0.0830 0.0955 0.7661 0.8471 0.7188 4.4593 -0.4957 -0.4061 -0.0699 -0.0503 0.0000 304.2058 T0344.try2-opt1-scwrl.pdb.gz 229 0.5506 1.6995 1.7612 3.2128 3.3432 3.8009 3.9615 2.8334 -5.1773 0.3469 0.1366 0.0051 0.3639 0.0830 0.0955 0.7661 0.8471 0.7188 4.4477 -0.4939 -0.4061 -0.0699 -0.0503 0.0000 306.9041 robetta-model1.pdb.gz 229 0.5774 1.7861 1.8150 3.3250 3.3562 3.5019 3.5656 -0.0140 -3.2808 0.2584 0.0987 0.0137 0.3379 0.0830 0.0484 1.0778 1.1248 1.0917 5.2695 -0.4745 -0.3336 -0.1036 -0.0930 0.0000 307.4368 robetta-model5.pdb.gz 229 0.5547 1.7869 1.7975 3.2704 3.3252 3.5875 3.6431 3.1146 -3.9038 0.1402 0.0779 0.0149 0.3835 0.0611 0.0103 1.5259 1.4922 1.3669 5.0682 -0.4237 -0.3338 -0.1086 -0.0864 0.0000 307.5688 robetta-model7.pdb.gz 229 0.5549 1.7424 1.7911 3.3232 3.3499 3.5246 3.5988 0.1476 -3.2004 0.2522 0.1099 0.0476 0.3369 0.0480 0.0951 1.2455 1.2435 1.1984 4.9958 -0.4815 -0.3662 -0.1149 -0.1002 0.0000 309.0235 T0344.try1-opt1.pdb.gz 229 0.5632 1.7248 1.7646 3.1681 3.2051 3.6444 3.7755 3.5703 -4.7876 0.5349 0.1355 0.0034 0.4280 0.0480 0.1609 0.7343 0.7077 0.6751 4.3195 -0.4696 -0.3955 -0.0936 -0.0589 0.0000 309.7029 robetta-model3.pdb.gz 229 0.5857 1.7593 1.7716 3.2904 3.3050 3.5382 3.5691 0.5391 -3.5139 0.2420 0.1055 -0.0421 0.3013 0.0480 0.0518 1.4542 1.4016 1.3524 5.5469 -0.4123 -0.3057 -0.0944 -0.0857 0.0000 310.5299 T0344.try1-opt1-scwrl.pdb.gz 229 0.5629 1.7248 1.7646 3.1914 3.2477 3.6660 3.7862 3.6032 -4.8569 0.5349 0.1355 0.0034 0.5215 0.0480 0.1609 0.7343 0.7077 0.6751 4.3130 -0.4688 -0.3955 -0.0936 -0.0589 0.0000 315.0264 T0344.try11-opt1-scwrl.pdb 229 0.5619 1.7444 1.7764 3.2770 3.2840 3.4808 3.5910 0.1371 -4.3190 0.4269 0.1163 -0.0090 0.8015 0.0349 0.0835 0.9850 0.9645 0.9462 4.9795 -0.4453 -0.3701 -0.1168 -0.1000 0.0000 316.4148 T0344.try4-opt2.repack-nonPC.pdb.gz 229 0.5309 1.7466 1.7923 3.2917 3.3239 3.7026 3.9206 4.0136 -4.9007 0.4379 0.2555 -0.1220 0.6077 0.3013 0.3410 0.2929 0.2633 0.2570 3.9501 -0.3948 -0.3080 -0.0231 -0.0205 0.0000 345.5694 T0344.try4-opt2.gromacs0.repack-nonPC.pdb.gz 229 0.5258 1.7658 1.7926 3.2513 3.3059 3.7101 3.9162 3.9992 -2.2801 1.4311 0.4148 0.0092 0.2573 0.3188 0.2590 0.9146 0.9360 0.8917 3.9104 -0.3851 -0.2989 -0.0181 -0.0116 0.0000 346.9654 T0344.try4-opt2.gromacs0.pdb.gz 229 0.5396 1.7658 1.7926 3.2198 3.2798 3.7165 3.9196 3.9836 -1.8347 1.4311 0.4148 0.0092 0.2812 0.3188 0.2590 0.9146 0.9360 0.8917 3.9093 -0.4019 -0.2989 -0.0181 -0.0116 0.0000 348.8738 T0344.try4-opt2.pdb.gz 229 0.5394 1.7466 1.7923 3.2277 3.2871 3.7073 3.9320 3.9976 -4.9410 0.4379 0.2555 -0.1220 0.7693 0.3013 0.3410 0.2929 0.2633 0.2570 3.9461 -0.4052 -0.3080 -0.0231 -0.0205 0.0000 349.3062 robetta-model9.pdb.gz 229 0.6057 1.8614 1.8756 3.4110 3.4382 3.6610 3.6093 -0.2495 -3.4934 0.2062 0.2146 -0.0610 0.4769 0.0393 0.2822 1.1396 1.1891 1.1133 6.0246 -0.4865 -0.3485 -0.1107 -0.1001 0.0000 349.7751 T0344.try4-opt1.pdb.gz 229 0.5635 1.7640 1.8023 3.2414 3.3390 3.7300 3.9023 4.2861 -4.9609 0.2597 0.2572 -0.0955 1.1240 0.4410 0.2943 0.6519 0.6294 0.6210 4.7155 -0.3345 -0.2512 -0.0104 -0.0079 0.0000 373.6596 T0344.try4-opt1-scwrl.pdb.gz 229 0.5633 1.7640 1.8023 3.2945 3.3615 3.7160 3.9012 4.2567 -5.1202 0.2597 0.2572 -0.0955 1.1497 0.4410 0.2943 0.6519 0.6294 0.6210 4.7224 -0.3241 -0.2512 -0.0104 -0.0079 0.0000 375.7777