# cost function cost = # ( 1 * constraints ) # evaluation function real_cost = # ( 50 * real_hbond + 50 * real_hbond_u + 50 * decoy_hbond + 50 * decoy_hbond_u + 10 * real_NO_hbond + 10 * real_NO_hbond_u + 10 * decoy_NO_hbond + 10 * decoy_NO_hbond_u + 10 * knot + 200 * clens + 0 * rmsd + 35 * log_rmsd + 0 * rmsd_ca + 30 * log_rmsd_ca + 1 * GDT + 1 * smooth_GDT + 0.2 * missing_atoms ) name length constraints real_hbond real_hbond_u decoy_hbond decoy_hbond_u real_NO_hbond real_NO_hbond_u decoy_NO_hbond decoy_NO_hbond_u knot clens rmsd log_rmsd rmsd_ca log_rmsd_ca GDT smooth_GDT missing_atoms real_cost 10S 5N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 10N 2h4oA 62 2.87553 -0.999253 -0.916667 -1 -1 -1 -0.95 -1 -1 0 0 0 -7 2.11582e-09 -7 -100 -100 117 -866.896 T0309TS415_2 62 2.13311 -0.187708 -0.138889 -0.786099 -0.178571 -0.39437 -0.2 -0.964934 -0.266667 0 0.881202 13.5936 2.6096 13.285 2.58663 -26.6129 -26.9609 0 208.779 T0309TS420_1-scwrl 51 2.07401 -0.197895 -0.166667 -0.285754 -0.25 -0.39437 -0.2 -0.478392 -0.25 0 0.804395 9.84398 2.28686 9.08959 2.20713 -31.0484 -30.7136 113 209.728 T0309TS443_5 62 1.31691 -0.193291 -0.166667 -0.344999 -0.146341 -0.406478 -0.25 -0.364874 -0.147059 0 0.876501 12.1776 2.49959 11.7683 2.46541 -35.4839 -34.2338 0 212.782 T0309TS443_5-scwrl 62 1.31691 -0.193291 -0.166667 -0.344999 -0.146341 -0.406478 -0.25 -0.364874 -0.147059 0 0.876501 12.1776 2.49959 11.7683 2.46541 -35.4839 -34.2338 0 212.782 T0309TS420_4 55 2.07788 -0.236481 -0.166667 -0.124362 -0.15 -0.500143 -0.25 -0.313732 -0.25 0 0.777992 10.6251 2.36322 10.1121 2.31373 -30.6452 -29.7375 65 213.326 T0309TS420_5 55 2.07783 -0.236481 -0.166667 -0.124029 -0.15 -0.500143 -0.25 -0.312416 -0.25 0 0.777972 10.6251 2.36322 10.1121 2.31374 -30.6452 -29.7306 65 213.359 T0309TS092_5 62 1.15667 -0.317465 -0.194444 -0.276802 -0.35 -0.675772 -0.3 -0.108344 -0.461538 0 0.887721 14.0657 2.64374 13.4921 2.60211 -31.4516 -30.8123 0 213.482 T0309TS413_3-scwrl 62 2.89456 -0.195834 -0.166667 -0.646029 -0.428571 -0.392483 -0.15 -0.608395 -0.375 0 0.915355 14.0957 2.64587 13.5358 2.60534 -26.6129 -26.2966 0 213.813 T0309TS092_5-scwrl 62 1.15649 -0.31914 -0.222222 -0.230125 -0.363636 -0.675772 -0.3 -0.108344 -0.461538 0 0.887721 14.1315 2.64841 13.4921 2.60211 -31.4516 -30.8123 0 213.825 T0309TS420_5-scwrl 52 2.11569 -0.237943 -0.166667 -0.219161 -0.214286 -0.500143 -0.25 -0.312416 -0.25 0 0.785381 10.8675 2.38578 10.1713 2.31957 -29.0323 -28.4752 87 215.03 T0309TS443_1 62 1.14788 -0.275144 -0.166667 -0.0740803 -0.157895 -0.568112 -0.2 -0.0169785 -0.148148 0 0.842644 12.2606 2.50639 11.9418 2.48005 -37.0968 -35.4876 0 215.048 T0309TS443_1-scwrl 62 1.14788 -0.275144 -0.166667 -0.0740803 -0.157895 -0.568112 -0.2 -0.0169785 -0.148148 0 0.842644 12.2606 2.50639 11.9418 2.48005 -37.0968 -35.4876 0 215.048 T0309TS034_2 62 1.38766 -0.18917 -0.138889 -0.678106 -0.217391 -0.39437 -0.2 -0.718489 -0.210526 0 0.920892 12.9454 2.56074 12.7927 2.54888 -29.4355 -29.1809 0 215.242 T0309TS034_2-scwrl 62 1.38766 -0.18917 -0.138889 -0.678106 -0.217391 -0.39437 -0.2 -0.718489 -0.210526 0 0.920892 12.9454 2.56074 12.7927 2.54888 -29.4355 -29.1809 0 215.242 T0309TS420_1 55 2.03133 -0.187708 -0.138889 -0.147284 -0.16129 -0.39437 -0.2 -0.478392 -0.25 0 0.798041 10.219 2.32425 9.71138 2.2733 -32.6613 -31.8005 78 215.308 T0309TS033_4-scwrl 62 0.915267 -0.277235 -0.194444 -0.210211 -0.189189 -0.568115 -0.25 -0.249382 -0.185185 0 0.867477 13.1092 2.57332 13.1099 2.57336 -35.4839 -33.6157 0 215.582 T0309TS420_4-scwrl 52 2.11559 -0.237943 -0.166667 -0.221558 -0.214286 -0.500143 -0.25 -0.313732 -0.25 0 0.785414 10.8683 2.38585 10.1713 2.31957 -28.2258 -28.4683 87 215.719 T0309TS197_5-scwrl 62 1.31989 -0.297365 -0.166667 -0.268933 -0.2 -0.616304 -0.2 -0.25841 -0.166667 0 0.863286 13.1606 2.57723 12.831 2.55186 -32.2581 -31.6839 0 216.412 T0309TS415_5 62 2.60984 -0.195029 -0.166667 -0.233983 -0.157895 -0.39437 -0.2 -0.255606 -0.190476 0 0.870559 11.9288 2.47896 11.105 2.4074 -33.871 -33.0128 0 218.13 T0309TS197_5 62 1.32622 -0.297365 -0.166667 -0.244281 -0.181818 -0.616304 -0.2 -0.25841 -0.166667 0 0.863286 13.075 2.5707 12.831 2.55186 -32.2581 -31.6839 0 218.325 T0309TS677_2-scwrl 62 1.98924 -0.187708 -0.138889 -0.830431 -0.416667 -0.39437 -0.2 -0.997646 -0.571429 0 0.877026 17.3914 2.85598 17.3 2.85071 -27.8226 -26.597 69 219.947 T0309TS415_2-scwrl 62 2.12684 -0.187708 -0.138889 -0.546147 -0.185185 -0.39437 -0.2 -0.964934 -0.266667 0 0.881202 13.6421 2.61316 13.285 2.58663 -26.6129 -26.9609 0 220.57 T0309TS413_3 62 2.89515 -0.346976 -0.166667 -0.507223 -0.272727 -0.392483 -0.15 -0.608395 -0.375 0 0.915355 14.0298 2.64118 13.5358 2.60534 -26.6129 -26.2966 0 220.825 T0309TS677_2 62 1.98396 -0.187708 -0.138889 -0.829038 -0.357143 -0.39437 -0.2 -0.997646 -0.571429 0 0.877026 17.3467 2.8534 17.3 2.85071 -27.8226 -26.597 60 221.103 T0309TS033_4 62 0.915265 -0.261964 -0.138889 -0.196434 -0.138889 -0.568115 -0.25 -0.249382 -0.185185 0 0.867477 12.9726 2.56284 13.1099 2.57336 -35.4839 -33.6157 0 221.961 T0309TS415_5-scwrl 62 2.60919 -0.187708 -0.138889 -0.206449 -0.131579 -0.39437 -0.2 -0.255606 -0.190476 0 0.870559 11.8056 2.46857 11.105 2.4074 -33.871 -33.0128 0 222.214 T0309TS736_3u 62 0.696295 -0.235147 -0.166667 -0.185001 -0.1875 -0.39437 -0.2 -0.197435 -0.210526 0 0.847722 14.5256 2.67591 14.4607 2.67144 -35.8871 -34.7416 0 223.977 T0309TS349_4-scwrl 62 1.29191 -0.28392 -0.194444 -0.347334 -0.205882 -0.500143 -0.25 -0.379853 -0.217391 0 0.911092 12.9176 2.55859 12.7434 2.54502 -29.4355 -29.0651 0 224.566 T0309TS033_3-scwrl 62 0.782897 -0.187709 -0.166667 -0.345678 -0.139535 -0.394373 -0.25 -0.342349 -0.172414 0 0.888915 12.3588 2.51437 11.623 2.45299 -30.6452 -30.3418 0 224.818 T0309TS307_1u-scwrl 62 1.56522 -0.187708 -0.138889 -0.309362 -0.147059 -0.39437 -0.2 -0.31885 -0.166667 0 0.849778 13.0535 2.56906 12.3397 2.51282 -33.871 -32.6169 30 224.82 T0309TS307_5u-scwrl 62 1.56522 -0.187708 -0.138889 -0.309362 -0.147059 -0.39437 -0.2 -0.31885 -0.166667 0 0.849778 13.0535 2.56906 12.3397 2.51282 -33.871 -32.6169 30 224.82 T0309TS113_2-scwrl 62 2.29669 -0.204875 -0.111111 -0.327548 -0.2 -0.440674 -0.15 -0.177138 -0.2 0 0.858463 14.3815 2.66595 13.7461 2.62076 -34.2742 -32.4008 0 225.094 T0309TS113_2 62 2.29694 -0.204875 -0.111111 -0.325564 -0.2 -0.440674 -0.15 -0.177138 -0.2 0 0.858463 14.3808 2.6659 13.7461 2.62076 -34.2742 -32.4008 0 225.191 T0309TS349_4 62 1.29268 -0.28392 -0.194444 -0.346426 -0.184211 -0.500143 -0.25 -0.379853 -0.217391 0 0.911092 12.9302 2.55956 12.7434 2.54502 -29.4355 -29.0651 0 225.729 T0309TS337_4-scwrl 62 1.91644 -0.214525 -0.166667 -0.455106 -0.1875 -0.349648 -0.2 -0.456591 -0.2 0 0.870255 14.0676 2.64387 13.9362 2.63449 -35.8871 -34.4844 69 225.797 T0309TS268_3 62 1.04599 -0.249809 -0.166667 -0.372917 -0.285714 -0.51317 -0.2 -0.493922 -0.363636 0 0.880525 15.682 2.75251 15.3278 2.72967 -29.4355 -29.2183 0 226.217 T0309TS268_3-scwrl 62 1.04599 -0.249809 -0.166667 -0.372917 -0.285714 -0.51317 -0.2 -0.493922 -0.363636 0 0.880525 15.682 2.75251 15.3278 2.72967 -29.4355 -29.2183 0 226.217 T0309TS297_3-scwrl 62 0.913564 -0.20298 -0.222222 -0.19022 -0.235294 -0.394373 -0.25 -0.15878 -0.185185 0 0.89483 13.7456 2.62072 13.0469 2.56855 -34.6774 -33.9759 0 226.675 T0309TS671_2-scwrl 62 1.77204 -0.248939 -0.138889 -0.444961 -0.227273 -0.511283 -0.15 -0.477465 -0.2 0 0.886843 14.9174 2.70253 14.244 2.65633 -29.8387 -28.7393 0 226.679 T0309TS736_3u-scwrl 62 0.694516 -0.187708 -0.138889 -0.209809 -0.178571 -0.39437 -0.2 -0.197435 -0.210526 0 0.847722 14.5356 2.6766 14.4607 2.67144 -35.8871 -34.7416 0 226.968 T0309TS302_5-scwrl 52 1.09857 -0.237943 -0.166667 -0.333151 -0.222222 -0.500143 -0.25 -0.423366 -0.25 0 0.846086 11.2876 2.4237 10.6349 2.36414 -28.629 -28.4018 107 227.106 T0309TS297_3 62 0.915842 -0.20298 -0.222222 -0.16794 -0.216216 -0.394373 -0.25 -0.15878 -0.185185 0 0.89483 13.7281 2.61944 13.0469 2.56855 -34.6774 -33.9759 0 228.698 T0309TS034_5 62 2.44788 -0.167086 -0.138889 -0.643 -0.227273 -0.349648 -0.2 -0.82148 -0.235294 0 0.917238 15.2252 2.72295 14.9049 2.70169 -28.629 -27.5007 0 228.795 T0309TS034_5-scwrl 62 2.44788 -0.167086 -0.138889 -0.643 -0.227273 -0.349648 -0.2 -0.82148 -0.235294 0 0.917238 15.2252 2.72295 14.9049 2.70169 -28.629 -27.5007 0 228.795 T0309TS038_1-scwrl 62 1.46353 -0.187708 -0.138889 -0.218005 -0.172414 -0.39437 -0.2 -0.0211833 -0.181818 0 0.88197 12.2499 2.50552 11.9943 2.48443 -32.6613 -32.2039 0 229.93 T0309TS034_1 62 1.62585 -0.187708 -0.138889 -0.381969 -0.185185 -0.39437 -0.2 -0.222499 -0.173913 0 0.918041 14.4708 2.67213 14.7614 2.69202 -37.5 -35.3585 0 230.439 T0309TS034_1-scwrl 62 1.62585 -0.187708 -0.138889 -0.381969 -0.185185 -0.39437 -0.2 -0.222499 -0.173913 0 0.918041 14.4912 2.67354 14.7614 2.69202 -37.5 -35.3585 0 230.489 T0309TS302_5 55 1.10414 -0.236481 -0.166667 -0.125476 -0.153846 -0.500143 -0.25 -0.419074 -0.238095 0 0.837734 10.999 2.39781 10.5527 2.35639 -29.0323 -29.1713 75 230.761 T0309TS113_3-scwrl 62 1.03265 -0.204443 -0.222222 -0.306868 -0.266667 -0.394373 -0.25 -0.28777 -0.263158 0 0.875915 14.205 2.65359 13.5751 2.60824 -28.629 -28.7813 20 230.933 T0309TS050_1 62 1.04766 -0.464423 -0.194444 -0.20745 -0.152174 -0.675772 -0.3 -0.337097 -0.171429 0 0.895544 15.57 2.74535 15.5478 2.74392 -30.6452 -29.8783 0 231.222 T0309TS435_4 62 1.04766 -0.464423 -0.194444 -0.20745 -0.152174 -0.675772 -0.3 -0.337097 -0.171429 0 0.895544 15.57 2.74535 15.5478 2.74392 -30.6452 -29.8783 0 231.222 T0309TS038_4-scwrl 62 1.52993 -0.195029 -0.166667 -0.645948 -0.1875 -0.39437 -0.2 -0.702666 -0.153846 0 0.890756 16.9523 2.8304 17.0033 2.8334 -29.0323 -27.2974 0 231.622 T0309TS337_4 62 1.95138 -0.208666 -0.138889 -0.329768 -0.192308 -0.349648 -0.2 -0.456591 -0.2 0 0.870255 14.065 2.64369 13.9362 2.63449 -35.8871 -34.4844 60 231.699 T0309TS347_1-scwrl 61 0.77871 -0.161503 -0.111111 -0.381712 -0.16 -0.337541 -0.15 -0.362989 -0.2 0 0.858927 14.2949 2.6599 14.0033 2.63929 -32.6613 -30.9713 13 231.807 T0309TS193_1 62 1.8366 -0.186837 -0.111111 -0.717254 -0.235294 -0.392483 -0.15 -0.953345 -0.6 0 0.909663 16.7811 2.82025 16.7379 2.81768 -25 -24.8374 0 231.851 T0309TS193_1-scwrl 62 1.8366 -0.186837 -0.111111 -0.717254 -0.235294 -0.392483 -0.15 -0.953345 -0.6 0 0.909663 16.7811 2.82025 16.7379 2.81768 -25 -24.8374 0 231.851 T0309TS050_1-scwrl 62 1.04457 -0.324787 -0.222222 -0.281948 -0.166667 -0.675772 -0.3 -0.337097 -0.171429 0 0.895544 15.5226 2.7423 15.5478 2.74392 -30.6452 -29.8783 0 232.259 T0309TS435_4-scwrl 62 1.04457 -0.324787 -0.222222 -0.281948 -0.166667 -0.675772 -0.3 -0.337097 -0.171429 0 0.895544 15.5226 2.7423 15.5478 2.74392 -30.6452 -29.8783 0 232.259 T0309TS033_3 62 0.782845 -0.18185 -0.138889 -0.2294 -0.128205 -0.394373 -0.25 -0.342349 -0.172414 0 0.888915 12.2113 2.50236 11.623 2.45299 -30.6452 -30.3418 0 232.46 T0309TS268_1 62 1.22914 -0.161155 -0.0833333 -0.288752 -0.166667 -0.336786 -0.1 -0.834321 -0.285714 0 0.86091 12.7332 2.54421 12.3328 2.51226 -26.2097 -27.2739 0 232.55 T0309TS268_1-scwrl 62 1.22914 -0.161155 -0.0833333 -0.288752 -0.166667 -0.336786 -0.1 -0.834321 -0.285714 0 0.86091 12.7332 2.54421 12.3328 2.51226 -26.2097 -27.2739 0 232.55 T0309TS677_1 62 1.62506 -0.236481 -0.166667 -0.584121 -0.352941 -0.500143 -0.25 -0.875334 -0.714286 0 0.902916 17.5683 2.8661 17.4597 2.85989 -27.4194 -26.718 60 234.148 T0309TS034_3 62 1.76862 -0.187708 -0.138889 -0.594715 -0.185185 -0.39437 -0.2 -0.537012 -0.181818 0 0.888909 16.0152 2.77354 15.5712 2.74542 -27.0161 -27.2554 0 234.49 T0309TS034_3-scwrl 62 1.76862 -0.187708 -0.138889 -0.594715 -0.185185 -0.39437 -0.2 -0.537012 -0.181818 0 0.888909 16.0152 2.77354 15.5712 2.74542 -27.0161 -27.2554 0 234.49 T0309TS710_5 62 0.539118 -0.19625 -0.138889 -0.400661 -0.227273 -0.392483 -0.15 -0.644737 -0.230769 0 0.902007 15.4751 2.73924 15.1571 2.71847 -31.0484 -29.9233 0 234.523 T0309TS337_2 62 1.60683 -0.289503 -0.222222 -0.22747 -0.266667 -0.512251 -0.3 -0.253604 -0.272727 0 0.892282 14.3233 2.66189 14.174 2.65141 -33.0645 -31.7001 60 234.721 T0309TS178_2 62 1.34902 -0.20211 -0.194444 -0.338145 -0.212121 -0.392486 -0.2 -0.45076 -0.190476 0 0.896687 15.6036 2.7475 15.4359 2.73669 -31.8548 -31.1354 0 234.932 T0309TS178_2-scwrl 62 1.34902 -0.20211 -0.194444 -0.338145 -0.212121 -0.392486 -0.2 -0.45076 -0.190476 0 0.896687 15.6036 2.7475 15.4359 2.73669 -31.8548 -31.1354 0 234.932 T0309TS247_5 62 1.21418 -0.163422 -0.0833333 -0.620942 -0.111111 -0.334899 -0.05 -0.628878 -0.0833333 0 0.91253 12.987 2.56395 12.483 2.52437 -26.2097 -26.6572 0 235.197 T0309TS247_5-scwrl 62 1.21418 -0.163422 -0.0833333 -0.620942 -0.111111 -0.334899 -0.05 -0.628878 -0.0833333 0 0.91253 12.987 2.56395 12.483 2.52437 -26.2097 -26.6572 0 235.197 T0309TS020_1 62 1.87021 -0.242064 -0.194444 -0.28587 -0.166667 -0.512251 -0.3 -0.311522 -0.1875 0 0.885152 14.3129 2.66116 14.0555 2.64302 -35.0806 -33.4303 60 235.386 T0309TS020_1-scwrl 62 1.87685 -0.242064 -0.194444 -0.306691 -0.175 -0.512251 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